data_26016 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Ca2+-bound C2 domain from Protein Kinase C alpha in the form of complex with V5-pHM peptide ; _BMRB_accession_number 26016 _BMRB_flat_file_name bmr26016.str _Entry_type original _Submission_date 2016-03-28 _Accession_date 2016-03-28 _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 Yang Yuan . . 2 Igumenova Tatyana I. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 831 "13C chemical shifts" 604 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-25 update BMRB 'update entry citation' 2017-03-24 original author 'original release' stop_ _Original_release_date 2016-07-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis of Protein Kinase Calpha Regulation by the C-Terminal Tail. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29642029 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Yuan . . 2 Shu Chang . . 3 Li Pingwei . . 4 Igumenova Tatyana I. . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_name_full 'Biophysical journal' _Journal_volume 114 _Journal_issue 7 _Journal_ISSN 1542-0086 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1590 _Page_last 1603 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ca2+-bound C2 domain in complex with V5-pHM peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $C2 'CALCIUM ION_1' $entity_CA 'CALCIUM ION_2' $entity_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_C2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common C2 _Molecular_mass 16240.596 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; HTEKRGRIYLKAEVTDEKLH VTVRDAKNLIPMDPNGLSDP YVKLKLIPDPKNESKQKTKT IRSTLNPQWNESFTFKLKPS DKDRRLSVEIWDWDRTTRND FMGSLSFGVSELMKMPASGW YKLLNQEEGEYYNVPIPEG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 155 HIS 2 156 THR 3 157 GLU 4 158 LYS 5 159 ARG 6 160 GLY 7 161 ARG 8 162 ILE 9 163 TYR 10 164 LEU 11 165 LYS 12 166 ALA 13 167 GLU 14 168 VAL 15 169 THR 16 170 ASP 17 171 GLU 18 172 LYS 19 173 LEU 20 174 HIS 21 175 VAL 22 176 THR 23 177 VAL 24 178 ARG 25 179 ASP 26 180 ALA 27 181 LYS 28 182 ASN 29 183 LEU 30 184 ILE 31 185 PRO 32 186 MET 33 187 ASP 34 188 PRO 35 189 ASN 36 190 GLY 37 191 LEU 38 192 SER 39 193 ASP 40 194 PRO 41 195 TYR 42 196 VAL 43 197 LYS 44 198 LEU 45 199 LYS 46 200 LEU 47 201 ILE 48 202 PRO 49 203 ASP 50 204 PRO 51 205 LYS 52 206 ASN 53 207 GLU 54 208 SER 55 209 LYS 56 210 GLN 57 211 LYS 58 212 THR 59 213 LYS 60 214 THR 61 215 ILE 62 216 ARG 63 217 SER 64 218 THR 65 219 LEU 66 220 ASN 67 221 PRO 68 222 GLN 69 223 TRP 70 224 ASN 71 225 GLU 72 226 SER 73 227 PHE 74 228 THR 75 229 PHE 76 230 LYS 77 231 LEU 78 232 LYS 79 233 PRO 80 234 SER 81 235 ASP 82 236 LYS 83 237 ASP 84 238 ARG 85 239 ARG 86 240 LEU 87 241 SER 88 242 VAL 89 243 GLU 90 244 ILE 91 245 TRP 92 246 ASP 93 247 TRP 94 248 ASP 95 249 ARG 96 250 THR 97 251 THR 98 252 ARG 99 253 ASN 100 254 ASP 101 255 PHE 102 256 MET 103 257 GLY 104 258 SER 105 259 LEU 106 260 SER 107 261 PHE 108 262 GLY 109 263 VAL 110 264 SER 111 265 GLU 112 266 LEU 113 267 MET 114 268 LYS 115 269 MET 116 270 PRO 117 271 ALA 118 272 SER 119 273 GLY 120 274 TRP 121 275 TYR 122 276 LYS 123 277 LEU 124 278 LEU 125 279 ASN 126 280 GLN 127 281 GLU 128 282 GLU 129 283 GLY 130 284 GLU 131 285 TYR 132 286 TYR 133 287 ASN 134 288 VAL 135 289 PRO 136 290 ILE 137 291 PRO 138 292 GLU 139 293 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CALCIUM ION' _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $C2 Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $C2 'recombinant technology' . Escherichia coli . pET-SUMO 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 $entity_CA 2.225 mM 'natural abundance' $C2 0.89 mM '[U-13C; U-15N]' MES 6.7 mM 'natural abundance' 'potassium chloride' 67 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'pHM peptide' 2 mM 'natural abundance' H2O 92 % 'natural abundance' D2O 8 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'structural validation' stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'RT probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Cryo probe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Cryo probe' 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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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' 0.076 . M pH 6.0 . pH pressure 1 . atm temperature 296.15 . 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 cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCACB' '2D 1H-13C HSQC aliphatic' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N TOCSY' '2D 1H-13C HSQC aromatic' '3D HCCH-TOCSY aromatic' '3D 1H-15N NOESY' '3D HNHA' 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 entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 155 1 HIS HA H 4.293 0.053 1 2 155 1 HIS HB2 H 3.24 0.053 2 3 155 1 HIS HB3 H 3.24 0.053 2 4 155 1 HIS HD2 H 7.257 0 1 5 155 1 HIS HE1 H 8.252 0 1 6 155 1 HIS CA C 55.847 0.386 1 7 155 1 HIS CB C 30.956 0.55 1 8 155 1 HIS CD2 C 120.383 0 1 9 155 1 HIS CE1 C 137.771 0 1 10 156 2 THR HA H 4.368 0.019 1 11 156 2 THR HB H 4.185 0.005 1 12 156 2 THR HG2 H 1.201 0.012 1 13 156 2 THR C C 173.977 0 1 14 156 2 THR CA C 61.886 0.049 1 15 156 2 THR CB C 69.938 0.104 1 16 156 2 THR CG2 C 21.702 0.053 1 17 157 3 GLU H H 8.895 0.006 1 18 157 3 GLU HA H 4.556 0.01 1 19 157 3 GLU HB2 H 2.082 0.02 2 20 157 3 GLU HB3 H 1.942 0.011 2 21 157 3 GLU HG2 H 2.232 0.008 1 22 157 3 GLU HG3 H 2.232 0.008 1 23 157 3 GLU C C 176.915 0 1 24 157 3 GLU CA C 55.814 0.082 1 25 157 3 GLU CB C 30.058 0.091 1 26 157 3 GLU CG C 36.364 0.101 1 27 157 3 GLU N N 125.405 0.036 1 28 158 4 LYS H H 8.674 0.01 1 29 158 4 LYS HA H 4.287 0.018 1 30 158 4 LYS HB2 H 1.861 0.013 2 31 158 4 LYS HB3 H 1.861 0.013 2 32 158 4 LYS HG2 H 1.505 0.01 2 33 158 4 LYS HG3 H 1.505 0.01 2 34 158 4 LYS HD2 H 1.723 0.027 2 35 158 4 LYS HD3 H 1.723 0.027 2 36 158 4 LYS HE2 H 3.009 0.01 2 37 158 4 LYS HE3 H 3.009 0.01 2 38 158 4 LYS C C 177.19 0 1 39 158 4 LYS CA C 57.626 0.129 1 40 158 4 LYS CB C 32.554 0.114 1 41 158 4 LYS CG C 25.118 0.087 1 42 158 4 LYS CD C 29.047 0.024 1 43 158 4 LYS CE C 42.587 0 1 44 158 4 LYS N N 123.382 0.026 1 45 159 5 ARG H H 8.64 0.007 1 46 159 5 ARG HA H 4.548 0.006 1 47 159 5 ARG HB2 H 2.061 0.008 2 48 159 5 ARG HB3 H 1.914 0.005 2 49 159 5 ARG HG2 H 1.569 0 2 50 159 5 ARG HG3 H 1.569 0 2 51 159 5 ARG HD2 H 3.213 0.01 2 52 159 5 ARG HD3 H 3.213 0.01 2 53 159 5 ARG HE H 7.646 0.013 1 54 159 5 ARG C C 175.026 0 1 55 159 5 ARG CA C 55.325 0.035 1 56 159 5 ARG CB C 32.293 0.134 1 57 159 5 ARG CG C 28.403 0 1 58 159 5 ARG CD C 43.297 0.066 1 59 159 5 ARG N N 118.664 0.101 1 60 159 5 ARG NE N 83.978 0 1 61 160 6 GLY H H 7.649 0.006 1 62 160 6 GLY HA2 H 4.504 0.016 2 63 160 6 GLY HA3 H 3.866 0.015 2 64 160 6 GLY C C 174.61 0 1 65 160 6 GLY CA C 45.658 0.121 1 66 160 6 GLY N N 106.166 0.049 1 67 161 7 ARG H H 8.561 0.006 1 68 161 7 ARG HA H 5.668 0.015 1 69 161 7 ARG HB2 H 2.05 0.007 2 70 161 7 ARG HB3 H 1.598 0.018 2 71 161 7 ARG HG2 H 2.482 0 2 72 161 7 ARG HG3 H 2.482 0 2 73 161 7 ARG HD2 H 2.911 0.004 2 74 161 7 ARG HD3 H 2.911 0.004 2 75 161 7 ARG HE H 7.665 0.006 1 76 161 7 ARG C C 173.39 0 1 77 161 7 ARG CA C 54.375 0.136 1 78 161 7 ARG CB C 34.455 0.092 1 79 161 7 ARG CG C 33.33 0 1 80 161 7 ARG CD C 42.909 0.162 1 81 161 7 ARG CZ C 159.486 0 1 82 161 7 ARG N N 114.941 0.026 1 83 161 7 ARG NE N 84.314 0.014 1 84 162 8 ILE H H 9.399 0.005 1 85 162 8 ILE HA H 5.58 0.015 1 86 162 8 ILE HB H 1.728 0.02 1 87 162 8 ILE HG12 H 2.148 0.012 1 88 162 8 ILE HG13 H 2.148 0.012 1 89 162 8 ILE HG2 H 0.984 0.013 1 90 162 8 ILE HD1 H 0.789 0.012 1 91 162 8 ILE C C 170.72 0 1 92 162 8 ILE CA C 59.324 0.048 1 93 162 8 ILE CB C 43.789 0.084 1 94 162 8 ILE CG2 C 16.021 0.128 1 95 162 8 ILE CD1 C 14.905 0.072 1 96 162 8 ILE N N 119.371 0.044 1 97 163 9 TYR H H 9.105 0.006 1 98 163 9 TYR HA H 4.921 0.008 1 99 163 9 TYR HB2 H 2.641 0.01 2 100 163 9 TYR HB3 H 2.641 0.01 2 101 163 9 TYR HD1 H 5.522 0.009 3 102 163 9 TYR HD2 H 5.522 0.009 3 103 163 9 TYR HE1 H 6.684 0.014 3 104 163 9 TYR HE2 H 6.42 0.008 3 105 163 9 TYR C C 174.831 0 1 106 163 9 TYR CA C 56.289 0.041 1 107 163 9 TYR CB C 38.132 0.075 1 108 163 9 TYR CD1 C 132.62 0 3 109 163 9 TYR CD2 C 132.62 0 3 110 163 9 TYR CE1 C 117.842 0 3 111 163 9 TYR CE2 C 116.846 0 3 112 163 9 TYR N N 131.603 0.044 1 113 164 10 LEU H H 8.125 0.009 1 114 164 10 LEU HA H 5.254 0.017 1 115 164 10 LEU HB2 H 1.625 0.012 2 116 164 10 LEU HB3 H 1.412 0.014 2 117 164 10 LEU HG H 1.681 0.015 1 118 164 10 LEU HD1 H 0.823 0.011 2 119 164 10 LEU HD2 H 0.578 0.012 2 120 164 10 LEU C C 174.358 0 1 121 164 10 LEU CA C 52.778 0.032 1 122 164 10 LEU CB C 47.489 0.053 1 123 164 10 LEU CG C 26.313 0.123 1 124 164 10 LEU CD1 C 26.869 0.045 1 125 164 10 LEU CD2 C 26.582 0.025 1 126 164 10 LEU N N 126.243 0.048 1 127 165 11 LYS H H 8.297 0.005 1 128 165 11 LYS HA H 4.956 0.009 1 129 165 11 LYS HB2 H 1.882 0.011 2 130 165 11 LYS HB3 H 1.661 0.009 2 131 165 11 LYS HG2 H 1.483 0.003 2 132 165 11 LYS HG3 H 1.483 0.003 2 133 165 11 LYS HD2 H 1.684 0 2 134 165 11 LYS HE2 H 2.978 0.017 2 135 165 11 LYS HE3 H 2.978 0.017 2 136 165 11 LYS C C 175.272 0 1 137 165 11 LYS CA C 54.985 0.099 1 138 165 11 LYS CB C 36.346 0.094 1 139 165 11 LYS CG C 25.158 0 1 140 165 11 LYS CD C 29.471 0 1 141 165 11 LYS CE C 42.05 0 1 142 165 11 LYS N N 116.213 0.04 1 143 166 12 ALA H H 8.888 0.003 1 144 166 12 ALA HA H 5.461 0.01 1 145 166 12 ALA HB H 0.796 0.01 1 146 166 12 ALA C C 174.137 0 1 147 166 12 ALA CA C 51.332 0.066 1 148 166 12 ALA CB C 21.655 0.063 1 149 166 12 ALA N N 125.758 0.072 1 150 167 13 GLU H H 8.65 0.003 1 151 167 13 GLU HA H 4.767 0.012 1 152 167 13 GLU HB2 H 2.059 0.018 2 153 167 13 GLU HB3 H 2.059 0.018 2 154 167 13 GLU HG2 H 2.161 0.019 2 155 167 13 GLU HG3 H 2.161 0.019 2 156 167 13 GLU C C 173.631 0 1 157 167 13 GLU CA C 54.498 0.067 1 158 167 13 GLU CB C 33.364 0 1 159 167 13 GLU CG C 34.762 0.119 1 160 167 13 GLU N N 119.087 0.047 1 161 168 14 VAL H H 9.508 0.008 1 162 168 14 VAL HA H 5.034 0.007 1 163 168 14 VAL HB H 1.803 0.013 1 164 168 14 VAL HG1 H 0.678 0.007 2 165 168 14 VAL C C 175.991 0 1 166 168 14 VAL CA C 61.197 0.114 1 167 168 14 VAL CB C 33.045 0.095 1 168 168 14 VAL CG1 C 21.57 0.176 2 169 168 14 VAL CG2 C 21.57 0.176 2 170 168 14 VAL N N 125.054 0.04 1 171 169 15 THR H H 8.842 0.004 1 172 169 15 THR HA H 4.525 0.008 1 173 169 15 THR HB H 4.03 0.005 1 174 169 15 THR HG2 H 1.169 0.007 1 175 169 15 THR C C 174.323 0 1 176 169 15 THR CA C 60.898 0.08 1 177 169 15 THR CB C 70.986 0.127 1 178 169 15 THR CG2 C 21.623 0.091 1 179 169 15 THR N N 122.59 0.028 1 180 170 16 ASP H H 9.417 0.009 1 181 170 16 ASP HA H 4.251 0.008 1 182 170 16 ASP HB2 H 2.892 0.012 2 183 170 16 ASP HB3 H 2.65 0.013 2 184 170 16 ASP CA C 55.928 0.125 1 185 170 16 ASP CB C 39.616 0.066 1 186 170 16 ASP N N 127.664 0.078 1 187 171 17 GLU H H 8.734 0.003 1 188 171 17 GLU HA H 3.741 0.008 1 189 171 17 GLU HB2 H 2.33 0.02 2 190 171 17 GLU HB3 H 2.224 0.012 2 191 171 17 GLU HG2 H 2.159 0.008 2 192 171 17 GLU HG3 H 2.159 0.008 2 193 171 17 GLU C C 174.302 0 1 194 171 17 GLU CA C 57.416 0.125 1 195 171 17 GLU CB C 27.529 0.183 1 196 171 17 GLU CG C 36.803 0.072 1 197 171 17 GLU N N 111.445 0.095 1 198 172 18 LYS H H 7.9 0.003 1 199 172 18 LYS HA H 4.916 0.012 1 200 172 18 LYS HB2 H 1.798 0.021 2 201 172 18 LYS HB3 H 1.183 0.014 2 202 172 18 LYS HG2 H 1.516 0.013 2 203 172 18 LYS HG3 H 1.228 0.018 2 204 172 18 LYS HD2 H 1.649 0.003 2 205 172 18 LYS HD3 H 1.611 0.008 2 206 172 18 LYS HE2 H 3.009 0.009 2 207 172 18 LYS HE3 H 3.009 0.009 2 208 172 18 LYS C C 173.734 0 1 209 172 18 LYS CA C 55.084 0.119 1 210 172 18 LYS CB C 35.388 0.123 1 211 172 18 LYS CG C 25.247 0 1 212 172 18 LYS CD C 29.174 0 1 213 172 18 LYS CE C 42.253 0 1 214 172 18 LYS N N 117.825 0.031 1 215 173 19 LEU H H 8.971 0.008 1 216 173 19 LEU HA H 4.921 0.014 1 217 173 19 LEU HB2 H 1.971 0.023 2 218 173 19 LEU HB3 H 1.323 0.015 2 219 173 19 LEU HG H 1.477 0.01 1 220 173 19 LEU HD1 H 0.626 0.014 2 221 173 19 LEU HD2 H 0.518 0.015 2 222 173 19 LEU C C 174.579 0 1 223 173 19 LEU CA C 53.56 0.059 1 224 173 19 LEU CB C 44.214 0.071 1 225 173 19 LEU CG C 27.902 0.067 1 226 173 19 LEU CD1 C 24.821 0.129 2 227 173 19 LEU CD2 C 26.675 0.062 2 228 173 19 LEU N N 124.479 0.103 1 229 174 20 HIS H H 9.433 0.005 1 230 174 20 HIS HA H 5.528 0.014 1 231 174 20 HIS HB2 H 3.269 0.029 2 232 174 20 HIS HB3 H 3.126 0.027 2 233 174 20 HIS HD2 H 7.151 0 1 234 174 20 HIS HE1 H 8.534 0 1 235 174 20 HIS C C 174.46 0 1 236 174 20 HIS CA C 54.666 0.12 1 237 174 20 HIS CB C 30.79 0.254 1 238 174 20 HIS CE1 C 136.134 0 1 239 174 20 HIS N N 127.605 0.075 1 240 175 21 VAL H H 9.254 0.005 1 241 175 21 VAL HA H 5.217 0.009 1 242 175 21 VAL HB H 1.976 0.009 1 243 175 21 VAL HG1 H 0.908 0.011 2 244 175 21 VAL HG2 H 0.872 0.011 2 245 175 21 VAL C C 174.908 0 1 246 175 21 VAL CA C 60.043 0.088 1 247 175 21 VAL CB C 35.666 0.053 1 248 175 21 VAL CG1 C 21.379 0.112 2 249 175 21 VAL CG2 C 21.379 0.112 2 250 175 21 VAL N N 124.647 0.036 1 251 176 22 THR H H 9.694 0.005 1 252 176 22 THR HA H 5.037 0.009 1 253 176 22 THR HB H 3.904 0.008 1 254 176 22 THR HG2 H 1.068 0.01 1 255 176 22 THR C C 173.384 0 1 256 176 22 THR CA C 62.307 0.082 1 257 176 22 THR CB C 71.263 0.124 1 258 176 22 THR CG2 C 20.713 0.085 1 259 176 22 THR N N 125.025 0.128 1 260 177 23 VAL H H 9.426 0.006 1 261 177 23 VAL HA H 4.263 0.005 1 262 177 23 VAL HB H 2.155 0.012 1 263 177 23 VAL HG1 H 0.801 0.01 2 264 177 23 VAL HG2 H 0.788 0.009 2 265 177 23 VAL C C 174.182 0 1 266 177 23 VAL CA C 61.42 0.158 1 267 177 23 VAL CB C 32.435 0.049 1 268 177 23 VAL CG1 C 22.58 0.333 2 269 177 23 VAL CG2 C 22.58 0.333 2 270 177 23 VAL N N 126.893 0.061 1 271 178 24 ARG H H 8.395 0.005 1 272 178 24 ARG HA H 4.552 0.008 1 273 178 24 ARG HB2 H 2.476 0.018 2 274 178 24 ARG HB3 H 2.476 0.018 2 275 178 24 ARG HG2 H 2.119 0.004 2 276 178 24 ARG HG3 H 1.988 0.008 2 277 178 24 ARG HD2 H 2.909 0.008 2 278 178 24 ARG HD3 H 2.909 0.008 2 279 178 24 ARG HE H 7.238 0.005 1 280 178 24 ARG C C 173.829 0 1 281 178 24 ARG CA C 59.19 0.167 1 282 178 24 ARG CB C 32.797 0.007 1 283 178 24 ARG CG C 27.11 0.132 1 284 178 24 ARG CD C 42.712 0.07 1 285 178 24 ARG CZ C 158.856 0 1 286 178 24 ARG N N 128.305 0.038 1 287 178 24 ARG NE N 84.233 0.027 1 288 179 25 ASP H H 8.267 0.004 1 289 179 25 ASP HA H 5.257 0.018 1 290 179 25 ASP HB2 H 3.127 0.011 2 291 179 25 ASP HB3 H 2.81 0.017 2 292 179 25 ASP C C 171.669 0 1 293 179 25 ASP CA C 52.491 0.171 1 294 179 25 ASP CB C 43.232 0.094 1 295 179 25 ASP N N 116.531 0.048 1 296 180 26 ALA H H 8.667 0.005 1 297 180 26 ALA HA H 5.737 0.013 1 298 180 26 ALA HB H 1.68 0.009 1 299 180 26 ALA C C 175.522 0 1 300 180 26 ALA CA C 51.234 0.06 1 301 180 26 ALA CB C 23.93 0.088 1 302 180 26 ALA N N 118.152 0.074 1 303 181 27 LYS H H 8.867 0.004 1 304 181 27 LYS HA H 5.398 0.015 1 305 181 27 LYS HB2 H 1.649 0.008 2 306 181 27 LYS HB3 H 1.294 0.012 2 307 181 27 LYS HG2 H 1.389 0.015 2 308 181 27 LYS HG3 H 1.319 0.01 2 309 181 27 LYS HD2 H 1.375 0.017 2 310 181 27 LYS HD3 H 1.375 0.017 2 311 181 27 LYS HE2 H 2.884 0.022 2 312 181 27 LYS HE3 H 2.802 0.022 2 313 181 27 LYS C C 175.094 0 1 314 181 27 LYS CA C 54.452 0.072 1 315 181 27 LYS CB C 38.312 0.072 1 316 181 27 LYS CG C 25.308 0.02 1 317 181 27 LYS CD C 29.476 0.043 1 318 181 27 LYS CE C 41.827 0.134 1 319 181 27 LYS N N 116.323 0.029 1 320 182 28 ASN H H 8.45 0.003 1 321 182 28 ASN HA H 4.256 0.033 1 322 182 28 ASN HB2 H 2.35 0 2 323 182 28 ASN HB3 H 2.35 0 2 324 182 28 ASN HD21 H 7.577 0.003 2 325 182 28 ASN HD22 H 7.276 0.004 2 326 182 28 ASN C C 173.581 0 1 327 182 28 ASN CA C 54.073 0.304 1 328 182 28 ASN CB C 36.577 0.028 1 329 182 28 ASN CG C 175.434 0 1 330 182 28 ASN N N 114.556 0.072 1 331 182 28 ASN ND2 N 117.727 0.083 1 332 183 29 LEU H H 8.006 0.005 1 333 183 29 LEU HA H 4.134 0.013 1 334 183 29 LEU HB2 H 1.458 0.01 2 335 183 29 LEU HB3 H 1.458 0.01 2 336 183 29 LEU HG H 1.595 0.01 1 337 183 29 LEU HD1 H 0.866 0.018 2 338 183 29 LEU HD2 H 0.716 0.014 2 339 183 29 LEU C C 175.775 0 1 340 183 29 LEU CA C 54.261 0.045 1 341 183 29 LEU CB C 41.491 0.098 1 342 183 29 LEU CG C 26.45 0.11 1 343 183 29 LEU CD1 C 22.936 0.01 2 344 183 29 LEU CD2 C 27.252 0.119 2 345 183 29 LEU N N 113.641 0.095 1 346 184 30 ILE H H 7.844 0.007 1 347 184 30 ILE HA H 4.447 0.007 1 348 184 30 ILE HB H 1.78 0.01 1 349 184 30 ILE HG12 H 1.607 0.007 2 350 184 30 ILE HG13 H 1.216 0.01 2 351 184 30 ILE HG2 H 0.978 0.013 1 352 184 30 ILE HD1 H 0.884 0.013 1 353 184 30 ILE CA C 58.767 0.08 1 354 184 30 ILE CB C 39.554 0.111 1 355 184 30 ILE CG1 C 27.612 0.117 1 356 184 30 ILE CG2 C 17.872 0.1 1 357 184 30 ILE CD1 C 14.187 0.1 1 358 184 30 ILE N N 118.248 0.115 1 359 185 31 PRO C C 178.082 0 1 360 185 31 PRO CB C 36.392 0 1 361 186 32 MET H H 7.984 0.009 1 362 186 32 MET HA H 4.788 0.005 1 363 186 32 MET HB2 H 1.537 0.012 2 364 186 32 MET HB3 H 1.537 0.012 2 365 186 32 MET HG2 H 1.902 0.007 2 366 186 32 MET HG3 H 1.902 0.007 2 367 186 32 MET HE H 2.196 0.002 1 368 186 32 MET C C 175.973 0 1 369 186 32 MET CA C 53.934 0.033 1 370 186 32 MET CB C 32.807 0.137 1 371 186 32 MET CE C 16.938 0 1 372 186 32 MET N N 121.606 0.055 1 373 187 33 ASP H H 8.228 0.006 1 374 187 33 ASP HA H 4.917 0.037 1 375 187 33 ASP HB2 H 2.929 0 2 376 187 33 ASP HB3 H 2.752 0.023 2 377 187 33 ASP CA C 52.05 0.001 1 378 187 33 ASP CB C 41.935 0 1 379 187 33 ASP N N 123.441 0.118 1 380 188 34 PRO HA H 4.388 0.014 1 381 188 34 PRO HB2 H 2.392 0.015 2 382 188 34 PRO HB3 H 1.994 0.007 2 383 188 34 PRO C C 176.161 0 1 384 188 34 PRO CA C 64.976 0.032 1 385 188 34 PRO CB C 31.845 0.114 1 386 188 34 PRO CG C 27.76 0 1 387 189 35 ASN H H 7.632 0.033 1 388 189 35 ASN HA H 4.538 0.015 1 389 189 35 ASN HB2 H 2.817 0.014 2 390 189 35 ASN HD21 H 7.64 0 2 391 189 35 ASN HD22 H 6.793 0.008 2 392 189 35 ASN C C 175.953 0 1 393 189 35 ASN CA C 52.748 0.051 1 394 189 35 ASN CB C 36.99 0.105 1 395 189 35 ASN N N 114.324 0.102 1 396 189 35 ASN ND2 N 112.781 0.035 1 397 190 36 GLY H H 8.258 0.004 1 398 190 36 GLY HA2 H 4.121 0.01 2 399 190 36 GLY HA3 H 3.724 0.007 2 400 190 36 GLY C C 172.836 0 1 401 190 36 GLY CA C 45.48 0.094 1 402 190 36 GLY N N 107.391 0.047 1 403 191 37 LEU H H 7.591 0.006 1 404 191 37 LEU HA H 4.705 0.012 1 405 191 37 LEU HB2 H 1.822 0.015 2 406 191 37 LEU HB3 H 1.147 0.019 2 407 191 37 LEU HG H 1.317 0.011 1 408 191 37 LEU HD1 H 0.838 0.009 2 409 191 37 LEU HD2 H 0.808 0.01 2 410 191 37 LEU C C 173.111 0 1 411 191 37 LEU CA C 52.961 0.1 1 412 191 37 LEU CB C 44.43 0.138 1 413 191 37 LEU CG C 26.673 0.123 1 414 191 37 LEU CD1 C 23.47 0.032 2 415 191 37 LEU CD2 C 25.572 0.006 2 416 191 37 LEU N N 120.503 0.052 1 417 192 38 SER H H 6.874 0.003 1 418 192 38 SER HA H 4.792 0.025 1 419 192 38 SER HB2 H 3.946 0.016 2 420 192 38 SER HB3 H 3.566 0.007 2 421 192 38 SER C C 170.78 0 1 422 192 38 SER CA C 57.415 0.066 1 423 192 38 SER CB C 68.452 0.017 1 424 192 38 SER N N 112.239 0.043 1 425 193 39 ASP H H 9.267 0.007 1 426 193 39 ASP HB2 H 2.587 0.011 2 427 193 39 ASP HB3 H 2.155 0.01 2 428 193 39 ASP CA C 51.991 0 1 429 193 39 ASP CB C 43.647 0 1 430 193 39 ASP N N 120.555 0.029 1 431 194 40 PRO HA H 5.732 0.009 1 432 194 40 PRO HB2 H 2.142 0.012 2 433 194 40 PRO HB3 H 1.986 0.012 2 434 194 40 PRO HG2 H 1.791 0.014 2 435 194 40 PRO HG3 H 1.489 0.019 2 436 194 40 PRO C C 177.364 0 1 437 194 40 PRO CA C 63.369 0.173 1 438 194 40 PRO CB C 34.168 0.183 1 439 194 40 PRO CG C 28.298 0.036 1 440 195 41 TYR H H 9.486 0.007 1 441 195 41 TYR HA H 4.927 0.015 1 442 195 41 TYR HB2 H 3.11 0.006 2 443 195 41 TYR HB3 H 2.714 0.009 2 444 195 41 TYR HD1 H 7.108 0.004 3 445 195 41 TYR HD2 H 7.108 0.004 3 446 195 41 TYR HE1 H 6.523 0.008 3 447 195 41 TYR HE2 H 6.523 0.008 3 448 195 41 TYR C C 171.307 0 1 449 195 41 TYR CA C 56.471 0.114 1 450 195 41 TYR CB C 41.995 0.06 1 451 195 41 TYR CD1 C 134.232 0 3 452 195 41 TYR CD2 C 134.232 0 3 453 195 41 TYR CE1 C 117.041 0 3 454 195 41 TYR CE2 C 117.041 0 3 455 195 41 TYR N N 119.57 0.073 1 456 196 42 VAL H H 8.31 0.006 1 457 196 42 VAL HA H 4.827 0.008 1 458 196 42 VAL HB H 1.311 0.012 1 459 196 42 VAL HG1 H 0.454 0.01 2 460 196 42 VAL HG2 H -0.415 0.009 2 461 196 42 VAL C C 174.97 0 1 462 196 42 VAL CA C 60.134 0.076 1 463 196 42 VAL CB C 32.743 0.079 1 464 196 42 VAL CG1 C 22.878 0.151 2 465 196 42 VAL CG2 C 21.569 0.006 2 466 196 42 VAL N N 119.566 0.045 1 467 197 43 LYS H H 9.679 0.007 1 468 197 43 LYS HA H 4.924 0.011 1 469 197 43 LYS HB2 H 1.921 0.017 2 470 197 43 LYS HB3 H 1.679 0.018 2 471 197 43 LYS HG2 H 1.321 0.013 2 472 197 43 LYS HG3 H 1.321 0.013 2 473 197 43 LYS C C 174.899 0 1 474 197 43 LYS CA C 54.939 0.083 1 475 197 43 LYS CB C 36.431 0.123 1 476 197 43 LYS CG C 25.215 0 1 477 197 43 LYS CD C 29.966 0 1 478 197 43 LYS CE C 41.67 0 1 479 197 43 LYS N N 126.071 0.038 1 480 198 44 LEU H H 9.06 0.009 1 481 198 44 LEU HA H 5.579 0.02 1 482 198 44 LEU HB2 H 1.328 0.011 2 483 198 44 LEU HB3 H 1.328 0.011 2 484 198 44 LEU HG H 1.222 0.014 1 485 198 44 LEU HD1 H 0.558 0.012 2 486 198 44 LEU HD2 H 0.026 0.008 2 487 198 44 LEU C C 175.059 0 1 488 198 44 LEU CA C 53.749 0.096 1 489 198 44 LEU CB C 45.708 0.106 1 490 198 44 LEU CG C 27.717 0.308 1 491 198 44 LEU CD1 C 27.021 0.084 2 492 198 44 LEU CD2 C 26.192 0.099 2 493 198 44 LEU N N 126.363 0.062 1 494 199 45 LYS H H 8.405 0.004 1 495 199 45 LYS HA H 4.607 0.013 1 496 199 45 LYS HB2 H 1.709 0.016 2 497 199 45 LYS HB3 H 1.623 0.01 2 498 199 45 LYS HG3 H 1.231 0.007 2 499 199 45 LYS HE2 H 2.891 0.003 2 500 199 45 LYS C C 174.108 0 1 501 199 45 LYS CA C 55.045 0.095 1 502 199 45 LYS CB C 36.98 0.099 1 503 199 45 LYS CG C 24.058 0 1 504 199 45 LYS CE C 42.081 0 1 505 199 45 LYS N N 117.771 0.039 1 506 200 46 LEU H H 8.493 0.008 1 507 200 46 LEU HA H 5.193 0.012 1 508 200 46 LEU HB2 H 1.568 0.021 2 509 200 46 LEU HB3 H 0.826 0.015 2 510 200 46 LEU HG H 0.998 0.01 1 511 200 46 LEU HD1 H 0.542 0.01 2 512 200 46 LEU HD2 H 0.127 0.004 2 513 200 46 LEU C C 175.786 0 1 514 200 46 LEU CA C 53.134 0.074 1 515 200 46 LEU CB C 42.143 0.094 1 516 200 46 LEU CG C 26.486 0.219 1 517 200 46 LEU CD1 C 25.83 0.107 2 518 200 46 LEU CD2 C 22.972 0.103 2 519 200 46 LEU N N 122.022 0.049 1 520 201 47 ILE H H 9.143 0.004 1 521 201 47 ILE HA H 4.507 0.016 1 522 201 47 ILE HB H 1.871 0.013 1 523 201 47 ILE HG12 H 1.582 0.013 2 524 201 47 ILE HG13 H 1.582 0.013 2 525 201 47 ILE HG2 H 0.867 0.009 1 526 201 47 ILE HD1 H 0.79 0.007 1 527 201 47 ILE CA C 58.176 0.152 1 528 201 47 ILE CB C 39.268 0.076 1 529 201 47 ILE CG2 C 19.122 0.034 1 530 201 47 ILE CD1 C 13.105 0.039 1 531 201 47 ILE N N 114.03 0.044 1 532 202 48 PRO HA H 4.525 0.022 1 533 202 48 PRO HB2 H 2.496 0.011 2 534 202 48 PRO HB3 H 2.057 0.012 2 535 202 48 PRO HG2 H 1.946 0.011 2 536 202 48 PRO HG3 H 1.946 0.011 2 537 202 48 PRO HD2 H 3.719 0.014 2 538 202 48 PRO HD3 H 3.594 0.012 2 539 202 48 PRO C C 176.559 0 1 540 202 48 PRO CA C 63.091 0.071 1 541 202 48 PRO CB C 35.135 0.168 1 542 202 48 PRO CG C 25.464 0.099 1 543 203 49 ASP H H 9.295 0.009 1 544 203 49 ASP HA H 4.785 0.002 1 545 203 49 ASP HB2 H 2.895 0 2 546 203 49 ASP CA C 51.573 0 1 547 203 49 ASP CB C 43.579 0 1 548 203 49 ASP N N 121.459 0.143 1 549 204 50 PRO HA H 4.384 0.008 1 550 204 50 PRO HB2 H 2.394 0.007 2 551 204 50 PRO HB3 H 2.004 0.011 2 552 204 50 PRO HG2 H 2.055 0.012 2 553 204 50 PRO HG3 H 2.055 0.012 2 554 204 50 PRO HD2 H 3.978 0.013 2 555 204 50 PRO HD3 H 3.448 0.012 2 556 204 50 PRO C C 178.117 0 1 557 204 50 PRO CA C 65.206 0.187 1 558 204 50 PRO CB C 32.229 0 1 559 204 50 PRO CG C 27.431 0.042 1 560 204 50 PRO CD C 50.439 0.133 1 561 205 51 LYS H H 8.484 0.008 1 562 205 51 LYS HA H 4.372 0.004 1 563 205 51 LYS HB2 H 2.016 0.007 2 564 205 51 LYS HG3 H 1.394 0.009 2 565 205 51 LYS HD3 H 1.676 0.003 2 566 205 51 LYS HE2 H 2.959 0.018 2 567 205 51 LYS HE3 H 2.959 0.018 2 568 205 51 LYS C C 175.893 0 1 569 205 51 LYS CA C 55.687 0.073 1 570 205 51 LYS CB C 31.886 0.031 1 571 205 51 LYS CG C 25.115 0 1 572 205 51 LYS CD C 28.789 0 1 573 205 51 LYS CE C 42.05 0 1 574 205 51 LYS N N 114.983 0.036 1 575 206 52 ASN H H 8.121 0.004 1 576 206 52 ASN HA H 4.237 0.011 1 577 206 52 ASN HB2 H 3.09 0.013 2 578 206 52 ASN HB3 H 2.644 0.006 2 579 206 52 ASN HD21 H 7.598 0.005 2 580 206 52 ASN HD22 H 6.879 0.003 2 581 206 52 ASN C C 175.064 0 1 582 206 52 ASN CA C 54.277 0.15 1 583 206 52 ASN CB C 37.295 0.107 1 584 206 52 ASN N N 118.386 0.04 1 585 206 52 ASN ND2 N 113.109 0.029 1 586 207 53 GLU H H 8.993 0.003 1 587 207 53 GLU HA H 4.395 0.01 1 588 207 53 GLU HB2 H 2.02 0.011 2 589 207 53 GLU HB3 H 2.02 0.011 2 590 207 53 GLU HG2 H 2.298 0.012 2 591 207 53 GLU HG3 H 2.242 0.01 2 592 207 53 GLU C C 178.549 0 1 593 207 53 GLU CA C 57.416 0.115 1 594 207 53 GLU CB C 31.853 0.101 1 595 207 53 GLU CG C 36.553 0 1 596 207 53 GLU N N 117.663 0.022 1 597 208 54 SER H H 10.259 0.01 1 598 208 54 SER HA H 4.582 0.008 1 599 208 54 SER HB2 H 4.189 0.016 2 600 208 54 SER HB3 H 4.092 0.015 2 601 208 54 SER C C 175.001 0 1 602 208 54 SER CA C 59.819 0.115 1 603 208 54 SER CB C 65.253 0.131 1 604 208 54 SER N N 119.323 0.037 1 605 209 55 LYS H H 7.378 0.007 1 606 209 55 LYS HA H 4.916 0.021 1 607 209 55 LYS HB2 H 1.889 0.016 2 608 209 55 LYS HB3 H 1.683 0.024 2 609 209 55 LYS HG2 H 1.361 0.02 2 610 209 55 LYS HG3 H 1.309 0.015 2 611 209 55 LYS HD3 H 1.628 0.008 2 612 209 55 LYS HE2 H 2.888 0.004 2 613 209 55 LYS C C 176.199 0 1 614 209 55 LYS CA C 56.899 0.111 1 615 209 55 LYS CB C 32.97 0.106 1 616 209 55 LYS CG C 23.9 0 1 617 209 55 LYS CD C 29.483 0 1 618 209 55 LYS CE C 42.021 0 1 619 209 55 LYS N N 121.061 0.029 1 620 210 56 GLN H H 9.167 0.007 1 621 210 56 GLN HA H 4.656 0.012 1 622 210 56 GLN HB2 H 1.282 0.015 2 623 210 56 GLN HB3 H 1.282 0.015 2 624 210 56 GLN HG2 H 2.249 0.007 2 625 210 56 GLN HG3 H 2.249 0.007 2 626 210 56 GLN HE21 H 6.089 0.004 2 627 210 56 GLN HE22 H 5.881 0.003 2 628 210 56 GLN C C 173.653 0 1 629 210 56 GLN CA C 55.4 0.037 1 630 210 56 GLN CB C 34.224 0.194 1 631 210 56 GLN N N 123.158 0.051 1 632 210 56 GLN NE2 N 110.65 0.031 1 633 211 57 LYS H H 8.753 0.007 1 634 211 57 LYS HA H 5.652 0.012 1 635 211 57 LYS HB2 H 1.876 0.009 2 636 211 57 LYS HB3 H 1.876 0.009 2 637 211 57 LYS HG2 H 1.408 0.015 2 638 211 57 LYS HG3 H 1.289 0.002 2 639 211 57 LYS HD2 H 1.442 0.006 2 640 211 57 LYS HD3 H 1.442 0.006 2 641 211 57 LYS HE2 H 2.68 0.008 2 642 211 57 LYS HE3 H 2.68 0.008 2 643 211 57 LYS C C 176.513 0 1 644 211 57 LYS CA C 54.849 0.11 1 645 211 57 LYS CB C 36.759 0.102 1 646 211 57 LYS CG C 23.636 0.049 1 647 211 57 LYS CD C 29.935 0.08 1 648 211 57 LYS CE C 42.04 0 1 649 211 57 LYS N N 118.5 0.028 1 650 212 58 THR H H 8.471 0.004 1 651 212 58 THR HA H 5.082 0.011 1 652 212 58 THR HB H 4.793 0.017 1 653 212 58 THR HG2 H 0.823 0.009 1 654 212 58 THR C C 175.873 0 1 655 212 58 THR CA C 61.054 0.146 1 656 212 58 THR CB C 72.823 0.111 1 657 212 58 THR CG2 C 20.136 0.027 1 658 212 58 THR N N 109.962 0.055 1 659 213 59 LYS H H 10.147 0.008 1 660 213 59 LYS HA H 4.367 0.009 1 661 213 59 LYS HB2 H 1.98 0.007 2 662 213 59 LYS HB3 H 1.98 0.007 2 663 213 59 LYS HG2 H 1.729 0.025 2 664 213 59 LYS HG3 H 1.729 0.025 2 665 213 59 LYS HD2 H 1.773 0.018 2 666 213 59 LYS HD3 H 1.773 0.018 2 667 213 59 LYS HE2 H 3.081 0.014 2 668 213 59 LYS HE3 H 3.081 0.014 2 669 213 59 LYS C C 177.533 0 1 670 213 59 LYS CA C 57.27 0.065 1 671 213 59 LYS CB C 33.07 0.12 1 672 213 59 LYS CG C 24.933 0.033 1 673 213 59 LYS CD C 29.034 0.096 1 674 213 59 LYS CE C 42.088 0.058 1 675 213 59 LYS N N 119.491 0.035 1 676 214 60 THR H H 8.59 0.009 1 677 214 60 THR HA H 4.809 0.014 1 678 214 60 THR HB H 3.633 0.01 1 679 214 60 THR HG2 H 0.92 0.012 1 680 214 60 THR C C 174.468 0 1 681 214 60 THR CA C 62.194 0.124 1 682 214 60 THR CB C 69.675 0.075 1 683 214 60 THR CG2 C 22.56 0.105 1 684 214 60 THR N N 120.675 0.053 1 685 215 61 ILE H H 8.452 0.007 1 686 215 61 ILE HA H 4.283 0.01 1 687 215 61 ILE HB H 1.646 0.013 1 688 215 61 ILE HG12 H 1.287 0.01 2 689 215 61 ILE HG13 H 1.287 0.01 2 690 215 61 ILE HG2 H 0.893 0.01 1 691 215 61 ILE HD1 H 0.522 0.008 1 692 215 61 ILE C C 174.281 0 1 693 215 61 ILE CA C 58.959 0.111 1 694 215 61 ILE CB C 36.669 0.139 1 695 215 61 ILE CG1 C 27.485 0 1 696 215 61 ILE CG2 C 18.683 0.087 1 697 215 61 ILE CD1 C 10.622 0.069 1 698 215 61 ILE N N 130.775 0.034 1 699 216 62 ARG H H 8.118 0.008 1 700 216 62 ARG HA H 4.788 0.011 1 701 216 62 ARG HB2 H 1.9 0.003 2 702 216 62 ARG HB3 H 1.741 0.018 2 703 216 62 ARG HG2 H 1.728 0.006 2 704 216 62 ARG HG3 H 1.488 0.01 2 705 216 62 ARG HD2 H 3.048 0.007 2 706 216 62 ARG HE H 6.272 0.016 1 707 216 62 ARG C C 177.605 0 1 708 216 62 ARG CA C 55.741 0.087 1 709 216 62 ARG CB C 30.422 0.039 1 710 216 62 ARG CG C 27.428 0.207 1 711 216 62 ARG CD C 42.36 0.179 1 712 216 62 ARG CZ C 159.198 0 1 713 216 62 ARG N N 122.232 0.04 1 714 216 62 ARG NE N 77.014 0.029 1 715 217 63 SER H H 9.372 0.007 1 716 217 63 SER HA H 3.96 0.01 1 717 217 63 SER HB2 H 3.975 0.01 2 718 217 63 SER HB3 H 3.975 0.01 2 719 217 63 SER C C 173.876 0 1 720 217 63 SER CA C 58.044 0.117 1 721 217 63 SER CB C 61.807 0.085 1 722 217 63 SER N N 116.032 0.059 1 723 218 64 THR H H 9.055 0.006 1 724 218 64 THR HA H 4.711 0.016 1 725 218 64 THR HB H 4.09 0.007 1 726 218 64 THR HG2 H 0.7 0.008 1 727 218 64 THR C C 170.153 0 1 728 218 64 THR CA C 60.844 0.164 1 729 218 64 THR CB C 68.776 0.074 1 730 218 64 THR CG2 C 20.717 0.022 1 731 218 64 THR N N 114.343 0.029 1 732 219 65 LEU H H 8.523 0.006 1 733 219 65 LEU HA H 4.486 0.011 1 734 219 65 LEU HB2 H 1.873 0.007 2 735 219 65 LEU HB3 H 1.472 0.016 2 736 219 65 LEU HG H 1.594 0.01 1 737 219 65 LEU HD1 H 1.019 0.009 2 738 219 65 LEU HD2 H 0.575 0.008 2 739 219 65 LEU C C 175.36 0 1 740 219 65 LEU CA C 53.167 0.062 1 741 219 65 LEU CB C 41.553 0.078 1 742 219 65 LEU CG C 27.036 0.038 1 743 219 65 LEU CD1 C 24.633 0.146 2 744 219 65 LEU CD2 C 21.245 0.159 2 745 219 65 LEU N N 122.091 0.087 1 746 220 66 ASN H H 8.661 0.004 1 747 220 66 ASN HA H 5.479 0.013 1 748 220 66 ASN HB2 H 2.605 0.009 2 749 220 66 ASN HB3 H 2.515 0.003 2 750 220 66 ASN HD21 H 7.604 0.014 2 751 220 66 ASN HD22 H 7.28 0.003 2 752 220 66 ASN CA C 51.318 0.054 1 753 220 66 ASN CB C 41.511 0.036 1 754 220 66 ASN N N 116.613 0.073 1 755 221 67 PRO HA H 3.922 0.01 1 756 221 67 PRO HB2 H 1.228 0.01 2 757 221 67 PRO HB3 H 0.08 0.008 2 758 221 67 PRO HG2 H 1.815 0.018 2 759 221 67 PRO HG3 H 1.498 0.012 2 760 221 67 PRO HD2 H 4.128 0.013 2 761 221 67 PRO HD3 H 3.755 0.017 2 762 221 67 PRO C C 174.368 0 1 763 221 67 PRO CA C 62.899 0.157 1 764 221 67 PRO CB C 32.471 0.082 1 765 221 67 PRO CD C 51.248 0.075 1 766 222 68 GLN H H 7.626 0.006 1 767 222 68 GLN HA H 4.377 0.007 1 768 222 68 GLN HB2 H 2.018 0.007 2 769 222 68 GLN HB3 H 1.937 0.007 2 770 222 68 GLN HG2 H 2.257 0.01 2 771 222 68 GLN HG3 H 0.801 0.005 2 772 222 68 GLN HE21 H 7.389 0.008 2 773 222 68 GLN HE22 H 7.163 0.003 2 774 222 68 GLN C C 174.145 0 1 775 222 68 GLN CA C 54.821 0.126 1 776 222 68 GLN CB C 29.985 0 1 777 222 68 GLN CG C 33.651 0.041 1 778 222 68 GLN N N 116.698 0.03 1 779 222 68 GLN NE2 N 109.005 0.07 1 780 223 69 TRP H H 8.284 0.008 1 781 223 69 TRP HA H 4.752 0.014 1 782 223 69 TRP HB2 H 3.386 0.005 2 783 223 69 TRP HB3 H 3.19 0.014 2 784 223 69 TRP HD1 H 7.446 0.004 1 785 223 69 TRP HE1 H 9.491 0.002 1 786 223 69 TRP HE3 H 7.271 0.011 1 787 223 69 TRP HZ2 H 6.901 0.014 1 788 223 69 TRP HZ3 H 6.678 0.005 1 789 223 69 TRP HH2 H 6.957 0.013 1 790 223 69 TRP C C 176.492 0 1 791 223 69 TRP CA C 62.075 0.106 1 792 223 69 TRP CB C 29.583 0.146 1 793 223 69 TRP CD1 C 127.819 0 1 794 223 69 TRP CE2 C 138.298 0 1 795 223 69 TRP CZ2 C 113.55 0 1 796 223 69 TRP CZ3 C 124.203 0 1 797 223 69 TRP CH2 C 122.651 0 1 798 223 69 TRP N N 122.038 0.036 1 799 223 69 TRP NE1 N 129.576 0.016 1 800 224 70 ASN H H 9.346 0.006 1 801 224 70 ASN HA H 4.571 0.012 1 802 224 70 ASN HB2 H 2.906 0.009 2 803 224 70 ASN HB3 H 2.89 0.003 2 804 224 70 ASN HD21 H 7.613 0.001 2 805 224 70 ASN HD22 H 6.779 0.006 2 806 224 70 ASN C C 174.32 0 1 807 224 70 ASN CA C 54.59 0.124 1 808 224 70 ASN CB C 37.704 0.01 1 809 224 70 ASN N N 116.955 0.054 1 810 224 70 ASN ND2 N 112.816 0.011 1 811 225 71 GLU H H 8.163 0.004 1 812 225 71 GLU HA H 4.78 0.012 1 813 225 71 GLU HB2 H 2.068 0.005 2 814 225 71 GLU HB3 H 1.642 0.019 2 815 225 71 GLU HG2 H 2.411 0.017 2 816 225 71 GLU HG3 H 2.227 0.034 2 817 225 71 GLU C C 174.4 0 1 818 225 71 GLU CA C 56.4 0.039 1 819 225 71 GLU CB C 36.551 0.032 1 820 225 71 GLU CG C 38.333 0.057 1 821 225 71 GLU N N 117.153 0.033 1 822 226 72 SER H H 8.33 0.008 1 823 226 72 SER HA H 5.664 0.012 1 824 226 72 SER HB2 H 3.739 0.014 2 825 226 72 SER HB3 H 3.545 0.014 2 826 226 72 SER C C 172.508 0 1 827 226 72 SER CA C 57.017 0.116 1 828 226 72 SER CB C 65.979 0.095 1 829 226 72 SER N N 115.933 0.046 1 830 227 73 PHE H H 9.237 0.004 1 831 227 73 PHE HA H 4.687 0.01 1 832 227 73 PHE HB2 H 2.713 0.008 2 833 227 73 PHE HB3 H 2.428 0.014 2 834 227 73 PHE HD1 H 7.088 0.013 3 835 227 73 PHE HD2 H 7.088 0.013 3 836 227 73 PHE HE1 H 6.943 0.005 3 837 227 73 PHE HE2 H 6.943 0.005 3 838 227 73 PHE HZ H 6.816 0.017 1 839 227 73 PHE C C 175.418 0 1 840 227 73 PHE CA C 57.427 0.089 1 841 227 73 PHE CB C 44.142 0.001 1 842 227 73 PHE CD1 C 132.282 0 3 843 227 73 PHE CD2 C 132.282 0 3 844 227 73 PHE CE1 C 130.648 0 3 845 227 73 PHE CE2 C 130.648 0 3 846 227 73 PHE CZ C 128.73 0 1 847 227 73 PHE N N 119.728 0.088 1 848 228 74 THR H H 9.235 0.01 1 849 228 74 THR HA H 5.378 0.006 1 850 228 74 THR HB H 3.787 0.014 1 851 228 74 THR HG2 H 0.93 0.004 1 852 228 74 THR C C 173.695 0 1 853 228 74 THR CA C 61.768 0.09 1 854 228 74 THR CB C 71.53 0.142 1 855 228 74 THR CG2 C 22.096 0.068 1 856 228 74 THR N N 118.305 0.04 1 857 229 75 PHE H H 9.441 0.004 1 858 229 75 PHE HA H 4.68 0.012 1 859 229 75 PHE HB2 H 2.893 0.013 2 860 229 75 PHE HB3 H 2.893 0.013 2 861 229 75 PHE HD1 H 7.156 0.009 3 862 229 75 PHE HD2 H 7.156 0.009 3 863 229 75 PHE HE1 H 7.159 0.003 3 864 229 75 PHE HE2 H 7.159 0.003 3 865 229 75 PHE HZ H 6.777 0.006 1 866 229 75 PHE C C 174.91 0 1 867 229 75 PHE CA C 56.197 0.11 1 868 229 75 PHE CB C 40.875 0.031 1 869 229 75 PHE CD1 C 131.863 0 3 870 229 75 PHE CD2 C 131.863 0 3 871 229 75 PHE CE1 C 130.488 0 3 872 229 75 PHE CE2 C 130.488 0 3 873 229 75 PHE CZ C 128.785 0 1 874 229 75 PHE N N 125.283 0.047 1 875 230 76 LYS H H 8.947 0.006 1 876 230 76 LYS HA H 4.381 0.013 1 877 230 76 LYS HB2 H 1.906 0 2 878 230 76 LYS HB3 H 1.732 0.012 2 879 230 76 LYS HG2 H 1.475 0.007 2 880 230 76 LYS HG3 H 1.34 0 2 881 230 76 LYS HD2 H 1.727 0.009 2 882 230 76 LYS HD3 H 1.768 0.005 2 883 230 76 LYS HE2 H 2.992 0.006 2 884 230 76 LYS C C 175.826 0 1 885 230 76 LYS CA C 56.969 0.187 1 886 230 76 LYS CB C 31.853 0.031 1 887 230 76 LYS CG C 25.067 0.13 1 888 230 76 LYS CD C 28.986 0 1 889 230 76 LYS CE C 42.082 0.042 1 890 230 76 LYS N N 125.757 0.037 1 891 231 77 LEU H H 8.359 0.005 1 892 231 77 LEU HA H 4.795 0.019 1 893 231 77 LEU HB2 H 1.616 0.015 2 894 231 77 LEU HB3 H 1.328 0.024 2 895 231 77 LEU HG H 1.572 0.017 1 896 231 77 LEU HD1 H 0.66 0.016 2 897 231 77 LEU HD2 H 0.63 0.015 2 898 231 77 LEU C C 177.137 0 1 899 231 77 LEU CA C 54.119 0.203 1 900 231 77 LEU CB C 43.205 0.087 1 901 231 77 LEU CG C 26.517 0.057 1 902 231 77 LEU CD1 C 22.26 0.16 2 903 231 77 LEU CD2 C 21.715 0.015 2 904 231 77 LEU N N 125.585 0.046 1 905 232 78 LYS H H 9.437 0.009 1 906 232 78 LYS HA H 4.782 0.01 1 907 232 78 LYS HB2 H 1.914 0.014 2 908 232 78 LYS HB3 H 1.502 0 2 909 232 78 LYS HE2 H 2.986 0 2 910 232 78 LYS CB C 32.671 0.028 1 911 232 78 LYS N N 123.453 0.073 1 912 233 79 PRO HA H 4.244 0.009 1 913 233 79 PRO HB2 H 2.394 0.009 2 914 233 79 PRO HB3 H 1.966 0.009 2 915 233 79 PRO HG2 H 2.193 0 2 916 233 79 PRO HG3 H 2.002 0 2 917 233 79 PRO HD2 H 4.112 0.007 2 918 233 79 PRO C C 178.765 0 1 919 233 79 PRO CA C 66.367 0.133 1 920 233 79 PRO CB C 31.603 0.049 1 921 233 79 PRO CG C 27.859 0 1 922 233 79 PRO CD C 50.29 0 1 923 234 80 SER H H 7.749 0.007 1 924 234 80 SER HA H 4.288 0.013 1 925 234 80 SER HB2 H 3.855 0.011 2 926 234 80 SER C C 176.27 0 1 927 234 80 SER CA C 59.472 0.137 1 928 234 80 SER CB C 62.388 0.201 1 929 234 80 SER N N 107.864 0.03 1 930 235 81 ASP H H 8.308 0.004 1 931 235 81 ASP HA H 4.525 0.013 1 932 235 81 ASP HB2 H 2.96 0.015 2 933 235 81 ASP HB3 H 2.631 0.021 2 934 235 81 ASP C C 177.012 0 1 935 235 81 ASP CA C 57.083 0.074 1 936 235 81 ASP CB C 41.462 0.073 1 937 235 81 ASP N N 122.063 0.034 1 938 236 82 LYS H H 7.325 0.003 1 939 236 82 LYS HA H 3.849 0.012 1 940 236 82 LYS HB2 H 1.869 0.008 2 941 236 82 LYS HB3 H 1.869 0.008 2 942 236 82 LYS HG2 H 1.428 0.005 2 943 236 82 LYS HG3 H 1.428 0.005 2 944 236 82 LYS HD2 H 1.664 0.004 2 945 236 82 LYS HD3 H 1.664 0.004 2 946 236 82 LYS HE2 H 2.983 0.008 2 947 236 82 LYS HE3 H 2.983 0.008 2 948 236 82 LYS C C 175.907 0 1 949 236 82 LYS CA C 59.411 0.112 1 950 236 82 LYS CB C 31.738 0.062 1 951 236 82 LYS CG C 24.454 0.022 1 952 236 82 LYS CD C 29.08 0 1 953 236 82 LYS CE C 42.217 0 1 954 236 82 LYS N N 117.96 0.055 1 955 237 83 ASP H H 7.323 0.003 1 956 237 83 ASP HA H 4.99 0.01 1 957 237 83 ASP HB2 H 3.001 0.01 2 958 237 83 ASP HB3 H 2.556 0.012 2 959 237 83 ASP C C 176.423 0 1 960 237 83 ASP CA C 54.403 0.073 1 961 237 83 ASP CB C 41.434 0.137 1 962 237 83 ASP N N 116.287 0.078 1 963 238 84 ARG H H 7.732 0.005 1 964 238 84 ARG HA H 4.792 0.008 1 965 238 84 ARG HB2 H 2.059 0 2 966 238 84 ARG HB3 H 1.897 0.009 2 967 238 84 ARG HG2 H 1.938 0.011 2 968 238 84 ARG HG3 H 1.558 0.007 2 969 238 84 ARG HD2 H 3.142 0.014 2 970 238 84 ARG HD3 H 3.142 0.014 2 971 238 84 ARG HE H 6.439 0.002 1 972 238 84 ARG C C 175.129 0 1 973 238 84 ARG CA C 57.165 0.171 1 974 238 84 ARG CB C 33.225 0.067 1 975 238 84 ARG CG C 28.829 0 1 976 238 84 ARG CD C 45.551 0.109 1 977 238 84 ARG CZ C 160.549 0 1 978 238 84 ARG N N 119.554 0.02 1 979 238 84 ARG NE N 83.097 0.015 1 980 239 85 ARG H H 9.027 0.013 1 981 239 85 ARG HA H 5.036 0.013 1 982 239 85 ARG HB2 H 1.48 0.029 2 983 239 85 ARG HB3 H 1.286 0.023 2 984 239 85 ARG HG2 H 1.666 0.013 2 985 239 85 ARG HE H 7.332 0.006 1 986 239 85 ARG C C 175.041 0 1 987 239 85 ARG CA C 55.072 0.206 1 988 239 85 ARG CB C 32.846 0.09 1 989 239 85 ARG CD C 42.441 0 1 990 239 85 ARG N N 116.965 0.089 1 991 239 85 ARG NE N 84.451 0 1 992 240 86 LEU H H 9.243 0.005 1 993 240 86 LEU HA H 4.525 0.009 1 994 240 86 LEU HB2 H 1.647 0.021 2 995 240 86 LEU HB3 H 0.804 0.013 2 996 240 86 LEU HG H 1.264 0.014 1 997 240 86 LEU HD1 H 0.52 0.01 2 998 240 86 LEU HD2 H 0.37 0.007 2 999 240 86 LEU C C 174.273 0 1 1000 240 86 LEU CA C 53.989 0.208 1 1001 240 86 LEU CB C 42.583 0.131 1 1002 240 86 LEU CG C 27.445 0.037 1 1003 240 86 LEU CD1 C 26.533 0 2 1004 240 86 LEU CD2 C 22.321 0.035 2 1005 240 86 LEU N N 122.287 0.082 1 1006 241 87 SER H H 9.447 0.005 1 1007 241 87 SER HA H 4.57 0.011 1 1008 241 87 SER HB2 H 3.663 0.012 2 1009 241 87 SER HB3 H 3.547 0.004 2 1010 241 87 SER C C 172.834 0 1 1011 241 87 SER CA C 56.532 0.076 1 1012 241 87 SER CB C 64.043 0.133 1 1013 241 87 SER N N 123.757 0.062 1 1014 242 88 VAL H H 8.361 0.004 1 1015 242 88 VAL HA H 4.432 0.013 1 1016 242 88 VAL HB H 1.878 0.012 1 1017 242 88 VAL HG1 H 0.539 0.012 2 1018 242 88 VAL HG2 H 0.639 0.016 2 1019 242 88 VAL C C 173.981 0 1 1020 242 88 VAL CA C 61.34 0.198 1 1021 242 88 VAL CB C 33.015 0.066 1 1022 242 88 VAL CG1 C 20.924 0.018 2 1023 242 88 VAL CG2 C 19.11 0.068 2 1024 242 88 VAL N N 128.303 0.019 1 1025 243 89 GLU H H 8.736 0.006 1 1026 243 89 GLU HA H 4.783 0.01 1 1027 243 89 GLU HB2 H 1.91 0.012 2 1028 243 89 GLU HB3 H 1.55 0.012 2 1029 243 89 GLU HG2 H 2.553 0.001 2 1030 243 89 GLU HG3 H 2.352 0.004 2 1031 243 89 GLU C C 174.467 0 1 1032 243 89 GLU CA C 53.734 0.071 1 1033 243 89 GLU CB C 34.877 0 1 1034 243 89 GLU CG C 35.101 0 1 1035 243 89 GLU N N 121.517 0.034 1 1036 244 90 ILE H H 9.172 0.01 1 1037 244 90 ILE HA H 4.859 0.011 1 1038 244 90 ILE HB H 1.421 0.022 1 1039 244 90 ILE HG12 H 1.362 0.012 2 1040 244 90 ILE HG13 H 1.362 0.012 2 1041 244 90 ILE HG2 H 0.976 0.014 1 1042 244 90 ILE HD1 H 0.827 0.011 1 1043 244 90 ILE C C 173.966 0 1 1044 244 90 ILE CA C 60.6 0.153 1 1045 244 90 ILE CB C 37.59 0.05 1 1046 244 90 ILE CG1 C 27.956 0.072 1 1047 244 90 ILE CG2 C 19.198 0.045 1 1048 244 90 ILE CD1 C 16.233 0.032 1 1049 244 90 ILE N N 122.102 0.051 1 1050 245 91 TRP H H 8.677 0.006 1 1051 245 91 TRP HA H 4.481 0.012 1 1052 245 91 TRP HB2 H 2.772 0.022 2 1053 245 91 TRP HB3 H 2.772 0.022 2 1054 245 91 TRP HD1 H 6.695 0.011 1 1055 245 91 TRP HE1 H 11.11 0.005 1 1056 245 91 TRP HZ2 H 7.582 0.004 1 1057 245 91 TRP HH2 H 7.321 0 1 1058 245 91 TRP C C 171.921 0 1 1059 245 91 TRP CA C 55.543 0 1 1060 245 91 TRP CB C 33.147 0.098 1 1061 245 91 TRP CD1 C 124.764 0 1 1062 245 91 TRP CE2 C 138.947 0 1 1063 245 91 TRP CZ2 C 114.758 0 1 1064 245 91 TRP CH2 C 124.779 0 1 1065 245 91 TRP N N 128.015 0.078 1 1066 245 91 TRP NE1 N 132.495 0.01 1 1067 246 92 ASP H H 9.479 0.011 1 1068 246 92 ASP HA H 4.849 0.01 1 1069 246 92 ASP HB2 H 2.734 0.012 2 1070 246 92 ASP HB3 H 3.321 0 2 1071 246 92 ASP C C 175.903 0 1 1072 246 92 ASP CA C 52.163 0.273 1 1073 246 92 ASP CB C 42.559 0.058 1 1074 246 92 ASP N N 119.21 0.052 1 1075 247 93 TRP H H 9.582 0.006 1 1076 247 93 TRP HA H 4.489 0.007 1 1077 247 93 TRP HB2 H 3.969 0 2 1078 247 93 TRP HB3 H 3.597 0 2 1079 247 93 TRP HD1 H 7.24 0.007 1 1080 247 93 TRP HE1 H 10.13 0.005 1 1081 247 93 TRP HZ2 H 7.412 0.005 1 1082 247 93 TRP HZ3 H 6.986 0.001 1 1083 247 93 TRP HH2 H 7.138 0 1 1084 247 93 TRP C C 175.758 0 1 1085 247 93 TRP CB C 29.775 0 1 1086 247 93 TRP CD1 C 127.416 0 1 1087 247 93 TRP CE2 C 138.823 0 1 1088 247 93 TRP CZ2 C 114.139 0 1 1089 247 93 TRP CZ3 C 121.483 0 1 1090 247 93 TRP CH2 C 124.334 0 1 1091 247 93 TRP N N 127.377 0.053 1 1092 247 93 TRP NE1 N 130.549 0.029 1 1093 248 94 ASP H H 7.697 0.019 1 1094 248 94 ASP HA H 4.479 0.029 1 1095 248 94 ASP HB2 H 2.538 0.006 2 1096 248 94 ASP HB3 H 2.538 0.006 2 1097 248 94 ASP C C 173.15 0 1 1098 248 94 ASP N N 130.25 0.176 1 1099 249 95 ARG H H 7.722 0.007 1 1100 249 95 ARG HA H 4.787 0.001 1 1101 249 95 ARG HB2 H 1.722 0.004 2 1102 249 95 ARG HB3 H 1.551 0.008 2 1103 249 95 ARG HD2 H 3.669 0.001 2 1104 249 95 ARG HE H 7.119 0.004 1 1105 249 95 ARG CG C 27.524 0 1 1106 249 95 ARG CD C 42.451 0 1 1107 249 95 ARG CZ C 159.406 0 1 1108 249 95 ARG N N 117.931 0.059 1 1109 249 95 ARG NE N 84.043 0.029 1 1110 250 96 THR H H 8.007 0.008 1 1111 250 96 THR HG2 H 1.183 0 1 1112 250 96 THR N N 109.614 0.054 1 1113 251 97 THR H H 7.247 0 1 1114 251 97 THR HA H 4.306 0.019 1 1115 251 97 THR HB H 4.403 0.009 1 1116 251 97 THR HG2 H 1.183 0.015 1 1117 251 97 THR C C 175.816 0 1 1118 251 97 THR CB C 69.776 0.177 1 1119 251 97 THR CG2 C 21.894 0.072 1 1120 251 97 THR N N 110.685 0.013 1 1121 252 98 ARG H H 7.963 0.011 1 1122 252 98 ARG HA H 4.295 0.053 1 1123 252 98 ARG HB2 H 1.79 0.004 2 1124 252 98 ARG HB3 H 1.79 0.004 2 1125 252 98 ARG HG2 H 1.58 0.011 2 1126 252 98 ARG HD2 H 3.168 0.012 2 1127 252 98 ARG HD3 H 3.168 0.012 2 1128 252 98 ARG HE H 7.253 0.002 1 1129 252 98 ARG C C 176.865 0 1 1130 252 98 ARG CA C 56.542 0 1 1131 252 98 ARG CB C 30.747 0.103 1 1132 252 98 ARG CG C 27.024 0.04 1 1133 252 98 ARG CD C 43.365 0.033 1 1134 252 98 ARG N N 120.055 0.156 1 1135 252 98 ARG NE N 84.971 0.016 1 1136 253 99 ASN H H 8.47 0.017 1 1137 253 99 ASN HA H 4.953 0.011 1 1138 253 99 ASN HB2 H 2.744 0.008 2 1139 253 99 ASN HD21 H 7.653 0.001 2 1140 253 99 ASN HD22 H 6.817 0.006 2 1141 253 99 ASN C C 174.451 0 1 1142 253 99 ASN CA C 56.227 0.066 1 1143 253 99 ASN CB C 30.009 0 1 1144 253 99 ASN N N 122.887 0.198 1 1145 253 99 ASN ND2 N 113.493 0.013 1 1146 254 100 ASP H H 8.547 0.012 1 1147 254 100 ASP HA H 5.267 0 1 1148 254 100 ASP HB2 H 3.268 0 2 1149 254 100 ASP HB3 H 3.137 0 2 1150 254 100 ASP C C 175.185 0 1 1151 254 100 ASP N N 120.561 0.084 1 1152 255 101 PHE H H 8.896 0.023 1 1153 255 101 PHE HA H 4.476 0 1 1154 255 101 PHE HB2 H 2.784 0.01 2 1155 255 101 PHE HD1 H 6.243 0.01 3 1156 255 101 PHE HD2 H 6.243 0.01 3 1157 255 101 PHE HE1 H 6.869 0.004 3 1158 255 101 PHE HE2 H 6.869 0.004 3 1159 255 101 PHE HZ H 7.303 0.008 1 1160 255 101 PHE C C 174.625 0 1 1161 255 101 PHE CA C 60.244 0 1 1162 255 101 PHE CB C 38.946 0 1 1163 255 101 PHE CD1 C 131.754 0 3 1164 255 101 PHE CD2 C 131.754 0 3 1165 255 101 PHE N N 127.065 0.083 1 1166 256 102 MET H H 7.624 0.006 1 1167 256 102 MET HA H 4.21 0.003 1 1168 256 102 MET HB2 H 2.158 0.004 2 1169 256 102 MET HB3 H 2.158 0.004 2 1170 256 102 MET HE H 2.173 0.002 1 1171 256 102 MET C C 176.877 0 1 1172 256 102 MET CA C 56.985 0.023 1 1173 256 102 MET CB C 32.496 0.059 1 1174 256 102 MET CE C 19.104 0 1 1175 256 102 MET N N 122.52 0.043 1 1176 257 103 GLY H H 6.013 0.003 1 1177 257 103 GLY HA2 H 3.952 0.002 2 1178 257 103 GLY HA3 H 3.739 0.008 2 1179 257 103 GLY C C 170.675 0 1 1180 257 103 GLY CA C 47.002 0.34 1 1181 257 103 GLY N N 107.427 0.026 1 1182 258 104 SER H H 9.257 0.004 1 1183 258 104 SER HA H 5.492 0.015 1 1184 258 104 SER HB2 H 4.299 0.009 2 1185 258 104 SER HB3 H 4.089 0.019 2 1186 258 104 SER C C 172.594 0 1 1187 258 104 SER CA C 57.478 0.053 1 1188 258 104 SER CB C 68.005 0.073 1 1189 258 104 SER N N 115.718 0.036 1 1190 259 105 LEU H H 8.721 0.005 1 1191 259 105 LEU HA H 4.803 0.012 1 1192 259 105 LEU HB2 H 2.461 0.014 2 1193 259 105 LEU HB3 H 1.476 0.025 2 1194 259 105 LEU HG H 1.259 0.009 1 1195 259 105 LEU HD1 H 0.747 0.011 2 1196 259 105 LEU HD2 H 0.348 0.009 2 1197 259 105 LEU C C 175.009 0 1 1198 259 105 LEU CA C 57.082 0.042 1 1199 259 105 LEU CB C 42.93 0.109 1 1200 259 105 LEU CG C 26.736 0.174 1 1201 259 105 LEU CD1 C 27.387 0.123 2 1202 259 105 LEU CD2 C 29.453 0.059 2 1203 259 105 LEU N N 111.307 0.029 1 1204 260 106 SER H H 7.518 0.005 1 1205 260 106 SER HA H 5.295 0.013 1 1206 260 106 SER HB2 H 4.098 0.009 2 1207 260 106 SER HB3 H 3.347 0.001 2 1208 260 106 SER C C 171.973 0 1 1209 260 106 SER CA C 57.55 0.07 1 1210 260 106 SER CB C 66.073 0.071 1 1211 260 106 SER N N 107.584 0.031 1 1212 261 107 PHE H H 8.423 0.006 1 1213 261 107 PHE HA H 4.604 0.016 1 1214 261 107 PHE HB2 H 2.867 0.015 2 1215 261 107 PHE HB3 H 2.359 0.01 2 1216 261 107 PHE HD1 H 6.851 0.01 3 1217 261 107 PHE HD2 H 6.851 0.01 3 1218 261 107 PHE HE1 H 6.597 0.01 3 1219 261 107 PHE HE2 H 6.597 0.01 3 1220 261 107 PHE HZ H 6.291 0.003 1 1221 261 107 PHE C C 176.395 0 1 1222 261 107 PHE CA C 55.551 0.017 1 1223 261 107 PHE CB C 43.94 0.085 1 1224 261 107 PHE CD1 C 131.899 0 3 1225 261 107 PHE CD2 C 131.899 0 3 1226 261 107 PHE CE1 C 130.625 0 3 1227 261 107 PHE CE2 C 130.625 0 3 1228 261 107 PHE N N 114.258 0.062 1 1229 262 108 GLY H H 9.603 0.004 1 1230 262 108 GLY HA2 H 4.177 0.025 2 1231 262 108 GLY HA3 H 4.078 0.012 2 1232 262 108 GLY C C 174.967 0 1 1233 262 108 GLY CA C 46.686 0.239 1 1234 262 108 GLY N N 111.982 0.029 1 1235 263 109 VAL H H 8.691 0.003 1 1236 263 109 VAL HA H 3.392 0.008 1 1237 263 109 VAL HB H 2.268 0.012 1 1238 263 109 VAL HG1 H 0.687 0.011 2 1239 263 109 VAL HG2 H 0.622 0.008 2 1240 263 109 VAL C C 177.897 0 1 1241 263 109 VAL CA C 68.336 0.086 1 1242 263 109 VAL CB C 30.642 0.045 1 1243 263 109 VAL CG1 C 22.403 0.042 2 1244 263 109 VAL CG2 C 23.678 0 2 1245 263 109 VAL N N 128.463 0.044 1 1246 264 110 SER H H 8.305 0.004 1 1247 264 110 SER HA H 4.307 0.009 1 1248 264 110 SER HB2 H 4.02 0.007 2 1249 264 110 SER HB3 H 4.02 0.007 2 1250 264 110 SER C C 177.12 0 1 1251 264 110 SER CA C 61.822 0.264 1 1252 264 110 SER N N 112.564 0.028 1 1253 265 111 GLU H H 7.025 0.002 1 1254 265 111 GLU HA H 4.147 0.011 1 1255 265 111 GLU HB2 H 2.366 0.011 2 1256 265 111 GLU HB3 H 2.366 0.011 2 1257 265 111 GLU HG2 H 2.458 0.014 2 1258 265 111 GLU HG3 H 2.436 0.013 2 1259 265 111 GLU C C 178.688 0 1 1260 265 111 GLU CA C 59.246 0.113 1 1261 265 111 GLU CB C 29.272 0.078 1 1262 265 111 GLU CG C 35.813 0 1 1263 265 111 GLU N N 122.859 0.021 1 1264 266 112 LEU H H 7.783 0.007 1 1265 266 112 LEU HA H 4.414 0.011 1 1266 266 112 LEU HB2 H 1.886 0.018 2 1267 266 112 LEU HB3 H 0.945 0.01 2 1268 266 112 LEU HG H 1.74 0.012 1 1269 266 112 LEU HD1 H 0.45 0.013 2 1270 266 112 LEU HD2 H 0.39 0.015 2 1271 266 112 LEU C C 178.533 0 1 1272 266 112 LEU CA C 56.17 0.077 1 1273 266 112 LEU CB C 42.802 0.079 1 1274 266 112 LEU CG C 26.59 0.077 1 1275 266 112 LEU CD1 C 23.228 0.071 2 1276 266 112 LEU CD2 C 26.648 0.071 2 1277 266 112 LEU N N 119.943 0.037 1 1278 267 113 MET H H 7.847 0.005 1 1279 267 113 MET HA H 3.896 0.011 1 1280 267 113 MET HB2 H 2.418 0.012 2 1281 267 113 MET HB3 H 2.138 0.004 2 1282 267 113 MET HG2 H 2.783 0.01 2 1283 267 113 MET HG3 H 2.783 0.01 2 1284 267 113 MET HE H 2.008 0.002 1 1285 267 113 MET C C 177.46 0 1 1286 267 113 MET CA C 59.026 0.077 1 1287 267 113 MET CB C 32.985 0.113 1 1288 267 113 MET CE C 17.013 0 1 1289 267 113 MET N N 115.602 0.04 1 1290 268 114 LYS H H 7.161 0.003 1 1291 268 114 LYS HA H 4.289 0.007 1 1292 268 114 LYS HB2 H 1.952 0.014 2 1293 268 114 LYS HB3 H 1.952 0.014 2 1294 268 114 LYS HG2 H 1.613 0.008 2 1295 268 114 LYS HG3 H 1.481 0.017 2 1296 268 114 LYS HD2 H 1.735 0.01 2 1297 268 114 LYS HD3 H 1.735 0.01 2 1298 268 114 LYS HE2 H 3.02 0.01 2 1299 268 114 LYS HE3 H 3.02 0.01 2 1300 268 114 LYS HZ H 4.764 0 1 1301 268 114 LYS C C 176.655 0 1 1302 268 114 LYS CA C 57.661 0.069 1 1303 268 114 LYS CB C 33.537 0.11 1 1304 268 114 LYS CG C 24.935 0 1 1305 268 114 LYS CD C 29.016 0 1 1306 268 114 LYS CE C 42.227 0.124 1 1307 268 114 LYS N N 116.7 0.028 1 1308 269 115 MET H H 8.061 0.005 1 1309 269 115 MET HA H 4.952 0.004 1 1310 269 115 MET HB2 H 2.134 0.004 2 1311 269 115 MET HB3 H 1.994 0.003 2 1312 269 115 MET HG2 H 2.651 0.006 2 1313 269 115 MET HG3 H 2.564 0.008 2 1314 269 115 MET HE H 2.077 0.001 1 1315 269 115 MET CA C 53.005 0.08 1 1316 269 115 MET CB C 34.436 0.039 1 1317 269 115 MET CG C 31.65 0 1 1318 269 115 MET CE C 17.692 0 1 1319 269 115 MET N N 119.922 0.021 1 1320 270 116 PRO HA H 4.554 0.01 1 1321 270 116 PRO HB2 H 2.484 0.012 2 1322 270 116 PRO HB3 H 1.9 0.011 2 1323 270 116 PRO HG2 H 2.14 0.011 2 1324 270 116 PRO HG3 H 2.14 0.011 2 1325 270 116 PRO HD2 H 3.809 0.028 2 1326 270 116 PRO HD3 H 3.657 0 2 1327 270 116 PRO C C 176.404 0 1 1328 270 116 PRO CA C 63.361 0.139 1 1329 270 116 PRO CB C 32.852 0.042 1 1330 270 116 PRO CG C 27.337 0 1 1331 270 116 PRO CD C 50.819 0.236 1 1332 271 117 ALA H H 8.435 0.006 1 1333 271 117 ALA HA H 4.539 0.008 1 1334 271 117 ALA HB H 0.792 0.007 1 1335 271 117 ALA C C 177.97 0 1 1336 271 117 ALA CA C 51.185 0.063 1 1337 271 117 ALA CB C 21.034 0.062 1 1338 271 117 ALA N N 124.765 0.039 1 1339 272 118 SER H H 8.228 0.012 1 1340 272 118 SER HA H 5.128 0.012 1 1341 272 118 SER HB2 H 3.826 0.01 2 1342 272 118 SER HB3 H 3.78 0.004 2 1343 272 118 SER C C 173.476 0 1 1344 272 118 SER CA C 57.91 0.117 1 1345 272 118 SER CB C 64.076 0.103 1 1346 272 118 SER N N 116.241 0.035 1 1347 273 119 GLY H H 7.692 0.004 1 1348 273 119 GLY HA2 H 4.341 0.01 2 1349 273 119 GLY HA3 H 3.115 0.009 2 1350 273 119 GLY C C 170.586 0 1 1351 273 119 GLY CA C 44.66 0.272 1 1352 273 119 GLY N N 112.583 0.045 1 1353 274 120 TRP H H 8.192 0.005 1 1354 274 120 TRP HA H 5.181 0.019 1 1355 274 120 TRP HB2 H 3.29 0.008 2 1356 274 120 TRP HB3 H 2.862 0.013 2 1357 274 120 TRP HD1 H 7.486 0.011 1 1358 274 120 TRP HE1 H 10.344 0.003 1 1359 274 120 TRP HE3 H 7.374 0.007 1 1360 274 120 TRP HZ2 H 7.469 0.004 1 1361 274 120 TRP HZ3 H 6.954 0.005 1 1362 274 120 TRP HH2 H 7.236 0.009 1 1363 274 120 TRP C C 177.579 0 1 1364 274 120 TRP CA C 56.458 0.037 1 1365 274 120 TRP CB C 31.669 0.115 1 1366 274 120 TRP CD1 C 127.942 0 1 1367 274 120 TRP CE2 C 139.126 0 1 1368 274 120 TRP CZ2 C 114.613 0 1 1369 274 120 TRP CH2 C 125.726 0 1 1370 274 120 TRP N N 116.757 0.051 1 1371 274 120 TRP NE1 N 130.049 0.019 1 1372 275 121 TYR H H 9.77 0.007 1 1373 275 121 TYR HA H 4.948 0.015 1 1374 275 121 TYR HB2 H 3.167 0.009 2 1375 275 121 TYR HB3 H 2.568 0.011 2 1376 275 121 TYR HD1 H 7.185 0 3 1377 275 121 TYR HD2 H 7.185 0 3 1378 275 121 TYR C C 175.514 0 1 1379 275 121 TYR CA C 57.937 0.081 1 1380 275 121 TYR CB C 43.226 0.091 1 1381 275 121 TYR CD1 C 133.258 0 3 1382 275 121 TYR CD2 C 133.258 0 3 1383 275 121 TYR N N 120.043 0.051 1 1384 276 122 LYS H H 8.628 0.006 1 1385 276 122 LYS HA H 4.288 0.004 1 1386 276 122 LYS HB2 H 1.92 0.012 2 1387 276 122 LYS HB3 H 1.769 0.01 2 1388 276 122 LYS HG2 H 1.644 0.004 2 1389 276 122 LYS HG3 H 1.449 0.008 2 1390 276 122 LYS C C 176.308 0 1 1391 276 122 LYS CA C 57.05 0.111 1 1392 276 122 LYS CB C 34.288 0.227 1 1393 276 122 LYS CG C 25.643 0 1 1394 276 122 LYS CD C 29.951 0 1 1395 276 122 LYS CE C 42.047 0 1 1396 276 122 LYS N N 121.361 0.03 1 1397 277 123 LEU H H 7.853 0.006 1 1398 277 123 LEU HA H 4.298 0.015 1 1399 277 123 LEU HB2 H 1.587 0.009 2 1400 277 123 LEU HB3 H 1.032 0.018 2 1401 277 123 LEU HG H 1.426 0.013 1 1402 277 123 LEU HD1 H 0.71 0.014 2 1403 277 123 LEU HD2 H 0.624 0.009 2 1404 277 123 LEU C C 176.17 0 1 1405 277 123 LEU CA C 55.918 0.083 1 1406 277 123 LEU CB C 42.363 0.152 1 1407 277 123 LEU CG C 27.987 0.751 1 1408 277 123 LEU CD1 C 26.302 0.048 2 1409 277 123 LEU CD2 C 23.976 0.013 2 1410 277 123 LEU N N 124.754 0.06 1 1411 278 124 LEU H H 9.444 0.009 1 1412 278 124 LEU HA H 4.78 0.007 1 1413 278 124 LEU HB3 H 1.915 0.015 2 1414 278 124 LEU HG H 1.933 0.013 1 1415 278 124 LEU HD1 H 0.786 0.013 2 1416 278 124 LEU HD2 H 0.676 0.006 2 1417 278 124 LEU C C 176.906 0 1 1418 278 124 LEU CA C 53.79 0.091 1 1419 278 124 LEU CB C 42.982 0.04 1 1420 278 124 LEU CG C 27.057 0.091 1 1421 278 124 LEU CD1 C 22.301 0.324 2 1422 278 124 LEU CD2 C 26.379 0.015 2 1423 278 124 LEU N N 123.556 0.105 1 1424 279 125 ASN H H 8.512 0.008 1 1425 279 125 ASN HA H 4.537 0.01 1 1426 279 125 ASN HB2 H 3.056 0.013 2 1427 279 125 ASN HD21 H 7.634 0.004 2 1428 279 125 ASN HD22 H 7.03 0.003 2 1429 279 125 ASN C C 174.155 0 1 1430 279 125 ASN CA C 52.828 0.138 1 1431 279 125 ASN CB C 38.157 0.069 1 1432 279 125 ASN N N 115.616 0.052 1 1433 279 125 ASN ND2 N 113.377 0.05 1 1434 280 126 GLN H H 8.203 0.005 1 1435 280 126 GLN HA H 3.355 0.009 1 1436 280 126 GLN HB2 H 1.287 0.007 2 1437 280 126 GLN HB3 H 0.179 0.011 2 1438 280 126 GLN HG2 H 1.898 0.005 2 1439 280 126 GLN HG3 H 1.51 0.011 2 1440 280 126 GLN HE21 H 7.588 0.003 2 1441 280 126 GLN HE22 H 6.651 0.001 2 1442 280 126 GLN C C 178.109 0 1 1443 280 126 GLN CA C 59.585 0.071 1 1444 280 126 GLN CB C 27.513 0.096 1 1445 280 126 GLN CG C 32.959 0 1 1446 280 126 GLN N N 119.468 0.032 1 1447 280 126 GLN NE2 N 110.367 0.032 1 1448 281 127 GLU H H 8.523 0.003 1 1449 281 127 GLU HA H 4.061 0.006 1 1450 281 127 GLU HB2 H 2.022 0.004 2 1451 281 127 GLU HB3 H 2.005 0.003 2 1452 281 127 GLU HG2 H 2.257 0.003 2 1453 281 127 GLU C C 178.182 0 1 1454 281 127 GLU CA C 59.072 0.094 1 1455 281 127 GLU CB C 28.891 0.097 1 1456 281 127 GLU CG C 36.468 0 1 1457 281 127 GLU N N 117.482 0.084 1 1458 282 128 GLU H H 8.041 0.007 1 1459 282 128 GLU HA H 4.221 0.008 1 1460 282 128 GLU HB2 H 2.035 0.012 2 1461 282 128 GLU HB3 H 2.035 0.012 2 1462 282 128 GLU HG2 H 2.433 0.021 2 1463 282 128 GLU HG3 H 2.433 0.021 2 1464 282 128 GLU C C 179.052 0 1 1465 282 128 GLU CA C 58.756 0.102 1 1466 282 128 GLU CB C 30.951 0.171 1 1467 282 128 GLU CG C 37.122 0 1 1468 282 128 GLU N N 118.183 0.045 1 1469 283 129 GLY H H 8.596 0.005 1 1470 283 129 GLY HA2 H 3.754 0.008 2 1471 283 129 GLY HA3 H 3.754 0.008 2 1472 283 129 GLY C C 176.217 0 1 1473 283 129 GLY CA C 46.7 0.176 1 1474 283 129 GLY N N 105.427 0.039 1 1475 284 130 GLU H H 7.249 0.004 1 1476 284 130 GLU HA H 3.83 0.018 1 1477 284 130 GLU HB2 H 1.572 0.01 2 1478 284 130 GLU HB3 H 1.572 0.01 2 1479 284 130 GLU HG2 H 2.295 0.017 2 1480 284 130 GLU HG3 H 1.869 0.021 2 1481 284 130 GLU C C 176.046 0 1 1482 284 130 GLU CA C 57.933 0.174 1 1483 284 130 GLU CB C 29.032 0.205 1 1484 284 130 GLU CG C 36.545 0.105 1 1485 284 130 GLU N N 117.098 0.034 1 1486 285 131 TYR H H 7.635 0.007 1 1487 285 131 TYR HA H 4.318 0.012 1 1488 285 131 TYR HB2 H 2.609 0.004 2 1489 285 131 TYR HB3 H 2.447 0.001 2 1490 285 131 TYR HD1 H 7.04 0.003 3 1491 285 131 TYR HD2 H 6.269 0 3 1492 285 131 TYR HE1 H 6.758 0.006 3 1493 285 131 TYR HE2 H 6.758 0.006 3 1494 285 131 TYR C C 174.592 0 1 1495 285 131 TYR CA C 58.293 0.015 1 1496 285 131 TYR CB C 41.336 0.041 1 1497 285 131 TYR CD1 C 133.396 0 3 1498 285 131 TYR CE1 C 118.266 0 3 1499 285 131 TYR CE2 C 118.266 0 3 1500 285 131 TYR N N 114.407 0.043 1 1501 286 132 TYR H H 7.196 0.007 1 1502 286 132 TYR HA H 4.915 0.005 1 1503 286 132 TYR HB2 H 3.109 0.019 2 1504 286 132 TYR HB3 H 2.724 0.017 2 1505 286 132 TYR HD1 H 7.084 0.012 3 1506 286 132 TYR HD2 H 7.084 0.012 3 1507 286 132 TYR HE2 H 6.729 0.007 3 1508 286 132 TYR C C 172.894 0 1 1509 286 132 TYR CA C 56.679 0.183 1 1510 286 132 TYR CB C 41.385 0.113 1 1511 286 132 TYR CD1 C 134.239 0 3 1512 286 132 TYR CD2 C 134.239 0 3 1513 286 132 TYR CE2 C 117.844 0 3 1514 286 132 TYR N N 114.301 0.035 1 1515 287 133 ASN H H 7.983 0.007 1 1516 287 133 ASN HA H 4.724 0.014 1 1517 287 133 ASN HB2 H 2.319 0.01 2 1518 287 133 ASN HB3 H 1.975 0.018 2 1519 287 133 ASN HD22 H 7.253 0.008 2 1520 287 133 ASN C C 173.346 0 1 1521 287 133 ASN CA C 52.901 0.071 1 1522 287 133 ASN CB C 42.889 0.088 1 1523 287 133 ASN N N 111.201 0.063 1 1524 288 134 VAL H H 9.823 0.007 1 1525 288 134 VAL HA H 4.683 0.005 1 1526 288 134 VAL HB H 2.136 0.006 1 1527 288 134 VAL HG1 H 1.009 0.007 2 1528 288 134 VAL HG2 H 1.009 0.007 2 1529 288 134 VAL CA C 59.717 0.021 1 1530 288 134 VAL CB C 34.63 0.155 1 1531 288 134 VAL N N 120.997 0.055 1 1532 289 135 PRO HA H 4.31 0.016 1 1533 289 135 PRO HB2 H 2.243 0.012 2 1534 289 135 PRO HB3 H 1.782 0.008 2 1535 289 135 PRO HG2 H 2.24 0.012 2 1536 289 135 PRO HG3 H 2.19 0.01 2 1537 289 135 PRO HD2 H 4.032 0.014 2 1538 289 135 PRO HD3 H 4.032 0.014 2 1539 289 135 PRO C C 176.719 0 1 1540 289 135 PRO CA C 62.485 0.132 1 1541 289 135 PRO CB C 32.888 0.074 1 1542 289 135 PRO CG C 27.173 0 1 1543 289 135 PRO CD C 51.378 0.045 1 1544 290 136 ILE H H 7.998 0.004 1 1545 290 136 ILE HA H 4.506 0.012 1 1546 290 136 ILE HB H 1.663 0.014 1 1547 290 136 ILE HG12 H 1.438 0.012 2 1548 290 136 ILE HG13 H 0.94 0.011 2 1549 290 136 ILE HG2 H 0.794 0.01 1 1550 290 136 ILE HD1 H 0.693 0.014 1 1551 290 136 ILE CA C 58.088 0.062 1 1552 290 136 ILE CB C 39.127 0.151 1 1553 290 136 ILE CG1 C 27.028 0.028 1 1554 290 136 ILE CG2 C 17.38 0.061 1 1555 290 136 ILE CD1 C 14.361 0.027 1 1556 290 136 ILE N N 121.8 0.058 1 1557 291 137 PRO HA H 4.544 0.008 1 1558 291 137 PRO HB2 H 2.336 0.011 2 1559 291 137 PRO HB3 H 2.002 0.012 2 1560 291 137 PRO HG2 H 2.01 0.013 2 1561 291 137 PRO HG3 H 2.01 0.013 2 1562 291 137 PRO HD2 H 3.707 0.01 2 1563 291 137 PRO HD3 H 3.707 0.01 2 1564 291 137 PRO C C 176.858 0 1 1565 291 137 PRO CA C 63.292 0.032 1 1566 291 137 PRO CB C 32.165 0.073 1 1567 291 137 PRO CG C 27.293 0.092 1 1568 291 137 PRO CD C 50.888 0.017 1 1569 292 138 GLU H H 8.514 0.007 1 1570 292 138 GLU HA H 4.331 0.006 1 1571 292 138 GLU HB2 H 2.126 0.003 2 1572 292 138 GLU HB3 H 2.015 0.005 2 1573 292 138 GLU HG2 H 2.348 0.009 2 1574 292 138 GLU C C 175.814 0 1 1575 292 138 GLU CA C 56.685 0.101 1 1576 292 138 GLU CB C 30.881 0.034 1 1577 292 138 GLU CG C 36.301 0.096 1 1578 292 138 GLU N N 120.568 0.014 1 1579 293 139 GLY H H 7.987 0.007 1 1580 293 139 GLY HA2 H 3.689 0.003 2 1581 293 139 GLY HA3 H 3.689 0.003 2 1582 293 139 GLY CA C 46.149 0.074 1 1583 293 139 GLY N N 116.113 0.011 1 stop_ save_