data_30636 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _BMRB_accession_number 30636 _BMRB_flat_file_name bmr30636.str _Entry_type original _Submission_date 2019-07-10 _Accession_date 2019-07-10 _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 Jiang Y. . . 2 Rossi P. . . 3 Kalodimos C. G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 434 "13C chemical shifts" 352 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-11 original BMRB . stop_ _Original_release_date 2019-08-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jiang Y. . . 2 Rossi P. . . 3 Kalodimos C. G. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Chaperone protein DnaK,Chaperone protein DnaJ 2 (E.C.3.1.3.1)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 9176.394 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; MDDVIDADYKPADGSGGSGG SGGSQDLYATLDVPAPIAVV GGKVRAMTLEGPVEVAVPPR TQAGRKLRLKGKGFPGPAGR GDLYLEVRIT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 167 MET 2 168 ASP 3 169 ASP 4 170 VAL 5 171 ILE 6 172 ASP 7 173 ALA 8 174 ASP 9 175 TYR 10 176 LYS 11 177 PRO 12 178 ALA 13 179 ASP 14 180 GLY 15 181 SER 16 182 GLY 17 183 GLY 18 184 SER 19 185 GLY 20 186 GLY 21 187 SER 22 188 GLY 23 189 GLY 24 190 SER 25 191 GLN 26 192 ASP 27 193 LEU 28 194 TYR 29 195 ALA 30 196 THR 31 197 LEU 32 198 ASP 33 199 VAL 34 200 PRO 35 201 ALA 36 202 PRO 37 203 ILE 38 204 ALA 39 205 VAL 40 206 VAL 41 207 GLY 42 208 GLY 43 209 LYS 44 210 VAL 45 211 ARG 46 212 ALA 47 213 MET 48 214 THR 49 215 LEU 50 216 GLU 51 217 GLY 52 218 PRO 53 219 VAL 54 220 GLU 55 221 VAL 56 222 ALA 57 223 VAL 58 224 PRO 59 225 PRO 60 226 ARG 61 227 THR 62 228 GLN 63 229 ALA 64 230 GLY 65 231 ARG 66 232 LYS 67 233 LEU 68 234 ARG 69 235 LEU 70 236 LYS 71 237 GLY 72 238 LYS 73 239 GLY 74 240 PHE 75 241 PRO 76 242 GLY 77 243 PRO 78 244 ALA 79 245 GLY 80 246 ARG 81 247 GLY 82 248 ASP 83 249 LEU 84 250 TYR 85 251 LEU 86 252 GLU 87 253 VAL 88 254 ARG 89 255 ILE 90 256 THR 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 _Gene_mnemonic $entity_1 'Thermus thermophilus' 274 Bacteria . Thermus thermophilus . . $entity_1 'Thermus thermophilus' 300852 Bacteria . Thermus thermophilus 'HB8 / ATCC 27634 / DSM 579' 'dnaJ2, TTHA1489' 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 $entity_1 'recombinant technology' . . . BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 75 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium azide' 0.04 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_software_7 _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_software_8 _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE NEO' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CaroCH-noesy_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CaroCH-noesy' _Sample_label $sample_1 save_ save_3D_CCH-noesy_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-noesy' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D CCH-TOCSY' '3D CaroCH-noesy' '3D CCH-noesy' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_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 1 167 1 MET HA H 4.475 0.00 . 2 167 1 MET HB2 H 2.295 0.01 . 3 167 1 MET HB3 H 1.934 0.01 . 4 167 1 MET C C 175.868 0.00 . 5 167 1 MET CA C 55.270 0.05 . 6 167 1 MET CB C 32.111 0.09 . 7 168 2 ASP H H 8.231 0.00 . 8 168 2 ASP HA H 4.587 0.01 . 9 168 2 ASP HB2 H 2.653 0.01 . 10 168 2 ASP CA C 54.860 0.12 . 11 168 2 ASP CB C 41.251 0.03 . 12 168 2 ASP N N 120.488 0.02 . 13 169 3 ASP H H 8.362 0.00 . 14 169 3 ASP HA H 4.647 0.01 . 15 169 3 ASP HB2 H 2.823 0.00 . 16 169 3 ASP HB3 H 2.653 0.01 . 17 169 3 ASP C C 174.989 0.00 . 18 169 3 ASP CA C 54.228 0.07 . 19 169 3 ASP CB C 40.770 0.07 . 20 169 3 ASP N N 120.269 0.03 . 21 170 4 VAL H H 7.910 0.00 . 22 170 4 VAL HA H 4.848 0.01 . 23 170 4 VAL HB H 2.033 0.00 . 24 170 4 VAL HG1 H 1.040 0.01 . 25 170 4 VAL HG2 H 0.942 0.01 . 26 170 4 VAL C C 175.412 0.00 . 27 170 4 VAL CA C 61.336 0.04 . 28 170 4 VAL CB C 33.895 0.05 . 29 170 4 VAL CG1 C 21.914 0.04 . 30 170 4 VAL CG2 C 21.757 0.05 . 31 170 4 VAL N N 121.651 0.02 . 32 171 5 ILE H H 8.595 0.01 . 33 171 5 ILE HA H 4.522 0.01 . 34 171 5 ILE HB H 1.834 0.00 . 35 171 5 ILE HG12 H 1.200 0.01 . 36 171 5 ILE HG13 H 1.505 0.00 . 37 171 5 ILE HG2 H 0.882 0.01 . 38 171 5 ILE HD1 H 0.863 0.00 . 39 171 5 ILE C C 174.721 0.00 . 40 171 5 ILE CA C 59.132 0.06 . 41 171 5 ILE CB C 41.477 0.05 . 42 171 5 ILE CG1 C 27.408 0.05 . 43 171 5 ILE CG2 C 17.381 0.02 . 44 171 5 ILE CD1 C 13.457 0.03 . 45 171 5 ILE N N 125.866 0.04 . 46 172 6 ASP H H 8.667 0.01 . 47 172 6 ASP HA H 5.091 0.01 . 48 172 6 ASP HB2 H 2.604 0.01 . 49 172 6 ASP HB3 H 2.566 0.01 . 50 172 6 ASP C C 175.352 0.00 . 51 172 6 ASP CA C 55.450 0.06 . 52 172 6 ASP CB C 40.902 0.12 . 53 172 6 ASP N N 127.047 0.03 . 54 173 7 ALA H H 8.598 0.00 . 55 173 7 ALA HA H 4.158 0.01 . 56 173 7 ALA HB H 1.279 0.01 . 57 173 7 ALA C C 176.237 0.00 . 58 173 7 ALA CA C 51.030 0.08 . 59 173 7 ALA CB C 21.550 0.04 . 60 173 7 ALA N N 127.816 0.04 . 61 174 8 ASP H H 9.025 0.00 . 62 174 8 ASP HA H 4.808 0.01 . 63 174 8 ASP HB2 H 2.598 0.01 . 64 174 8 ASP HB3 H 2.715 0.02 . 65 174 8 ASP C C 174.598 0.00 . 66 174 8 ASP CA C 53.821 0.04 . 67 174 8 ASP CB C 42.093 0.05 . 68 174 8 ASP N N 122.362 0.03 . 69 175 9 TYR H H 7.854 0.01 . 70 175 9 TYR HA H 5.620 0.01 . 71 175 9 TYR HB2 H 2.777 0.01 . 72 175 9 TYR HB3 H 2.608 0.01 . 73 175 9 TYR HD1 H 6.840 0.00 . 74 175 9 TYR HD2 H 6.836 0.00 . 75 175 9 TYR HE1 H 6.851 0.00 . 76 175 9 TYR HE2 H 6.856 0.00 . 77 175 9 TYR C C 173.154 0.00 . 78 175 9 TYR CA C 55.526 0.05 . 79 175 9 TYR CB C 41.767 0.13 . 80 175 9 TYR CD1 C 133.337 0.04 . 81 175 9 TYR CD2 C 133.181 0.00 . 82 175 9 TYR CE1 C 118.036 0.00 . 83 175 9 TYR CE2 C 118.002 0.00 . 84 175 9 TYR N N 116.848 0.02 . 85 176 10 LYS H H 8.358 0.01 . 86 176 10 LYS HA H 4.813 0.01 . 87 176 10 LYS HB2 H 1.826 0.01 . 88 176 10 LYS HB3 H 1.713 0.01 . 89 176 10 LYS HG2 H 1.410 0.01 . 90 176 10 LYS HD2 H 1.637 0.01 . 91 176 10 LYS HD3 H 1.679 0.00 . 92 176 10 LYS HE3 H 2.959 0.00 . 93 176 10 LYS CA C 53.162 0.05 . 94 176 10 LYS CB C 34.947 0.03 . 95 176 10 LYS CG C 23.872 0.03 . 96 176 10 LYS CD C 29.056 0.05 . 97 176 10 LYS CE C 42.102 0.02 . 98 176 10 LYS N N 118.930 0.05 . 99 177 11 PRO HA H 4.516 0.01 . 100 177 11 PRO HB2 H 2.464 0.01 . 101 177 11 PRO HB3 H 1.914 0.01 . 102 177 11 PRO HG2 H 2.170 0.00 . 103 177 11 PRO HG3 H 2.007 0.01 . 104 177 11 PRO HD2 H 3.636 0.01 . 105 177 11 PRO HD3 H 3.817 0.01 . 106 177 11 PRO C C 175.581 0.00 . 107 177 11 PRO CA C 63.844 0.06 . 108 177 11 PRO CB C 32.153 0.06 . 109 177 11 PRO CG C 27.998 0.10 . 110 177 11 PRO CD C 50.887 0.07 . 111 178 12 ALA H H 8.053 0.00 . 112 178 12 ALA HA H 4.519 0.01 . 113 178 12 ALA HB H 1.170 0.00 . 114 178 12 ALA CA C 50.898 0.03 . 115 178 12 ALA CB C 20.084 0.07 . 116 178 12 ALA N N 125.804 0.02 . 117 179 13 ASP H H 8.398 0.00 . 118 179 13 ASP HA H 4.602 0.00 . 119 179 13 ASP HB2 H 2.698 0.00 . 120 179 13 ASP C C 176.878 0.00 . 121 179 13 ASP CA C 54.066 0.05 . 122 179 13 ASP CB C 41.683 0.04 . 123 179 13 ASP N N 120.303 0.01 . 124 180 14 GLY H H 8.446 0.01 . 125 180 14 GLY HA3 H 4.035 0.01 . 126 180 14 GLY CA C 45.465 0.15 . 127 180 14 GLY N N 109.588 0.03 . 128 181 15 SER H H 8.362 0.00 . 129 181 15 SER HA H 4.512 0.00 . 130 181 15 SER HB2 H 3.913 0.01 . 131 181 15 SER HB3 H 3.871 0.00 . 132 181 15 SER CA C 58.454 0.13 . 133 181 15 SER CB C 63.945 0.01 . 134 181 15 SER N N 115.506 0.02 . 135 182 16 GLY H H 8.618 0.00 . 136 182 16 GLY HA3 H 4.050 0.01 . 137 182 16 GLY CA C 45.337 0.00 . 138 182 16 GLY N N 111.055 0.01 . 139 183 17 GLY H H 8.335 0.00 . 140 183 17 GLY N N 108.894 0.00 . 141 184 18 SER HA H 4.519 0.00 . 142 184 18 SER HB3 H 3.881 0.00 . 143 184 18 SER CA C 58.477 0.09 . 144 184 18 SER CB C 64.127 0.08 . 145 185 19 GLY H H 8.617 0.00 . 146 185 19 GLY C C 174.530 0.00 . 147 185 19 GLY CA C 45.348 0.00 . 148 185 19 GLY N N 111.063 0.00 . 149 186 20 GLY H H 8.333 0.00 . 150 186 20 GLY C C 174.166 0.00 . 151 186 20 GLY CA C 44.016 0.00 . 152 186 20 GLY N N 108.949 0.02 . 153 187 21 SER H H 8.358 0.00 . 154 187 21 SER C C 175.068 0.00 . 155 187 21 SER CA C 58.415 0.05 . 156 187 21 SER CB C 64.209 0.03 . 157 187 21 SER N N 115.415 0.11 . 158 188 22 GLY H H 8.617 0.00 . 159 188 22 GLY HA2 H 3.995 0.00 . 160 188 22 GLY C C 174.589 0.00 . 161 188 22 GLY CA C 45.912 0.21 . 162 188 22 GLY N N 111.082 0.02 . 163 189 23 GLY H H 8.284 0.00 . 164 189 23 GLY HA2 H 4.034 0.00 . 165 189 23 GLY C C 174.281 0.00 . 166 189 23 GLY CA C 45.314 0.03 . 167 189 23 GLY N N 108.612 0.02 . 168 190 24 SER H H 8.402 0.00 . 169 190 24 SER HA H 4.527 0.01 . 170 190 24 SER HB2 H 4.033 0.01 . 171 190 24 SER C C 175.335 0.00 . 172 190 24 SER CA C 58.758 0.10 . 173 190 24 SER CB C 63.923 0.07 . 174 190 24 SER N N 115.720 0.04 . 175 191 25 GLN H H 8.791 0.00 . 176 191 25 GLN HA H 4.672 0.01 . 177 191 25 GLN HB2 H 2.507 0.01 . 178 191 25 GLN HB3 H 2.047 0.01 . 179 191 25 GLN HG2 H 2.431 0.02 . 180 191 25 GLN HG3 H 2.371 0.01 . 181 191 25 GLN C C 175.032 0.00 . 182 191 25 GLN CA C 56.226 0.04 . 183 191 25 GLN CB C 30.029 0.07 . 184 191 25 GLN CG C 34.891 0.04 . 185 191 25 GLN N N 122.015 0.04 . 186 192 26 ASP H H 8.116 0.00 . 187 192 26 ASP HA H 5.431 0.00 . 188 192 26 ASP HB2 H 2.821 0.01 . 189 192 26 ASP C C 174.611 0.00 . 190 192 26 ASP CA C 54.337 0.05 . 191 192 26 ASP N N 122.107 0.03 . 192 193 27 LEU H H 8.403 0.00 . 193 193 27 LEU HA H 5.006 0.01 . 194 193 27 LEU HB2 H 1.393 0.01 . 195 193 27 LEU HB3 H 1.246 0.01 . 196 193 27 LEU HG H 1.208 0.00 . 197 193 27 LEU HD1 H 0.467 0.01 . 198 193 27 LEU HD2 H 0.399 0.01 . 199 193 27 LEU C C 174.483 0.00 . 200 193 27 LEU CA C 53.226 0.05 . 201 193 27 LEU CB C 47.680 0.04 . 202 193 27 LEU CG C 26.542 0.05 . 203 193 27 LEU CD1 C 24.945 0.04 . 204 193 27 LEU CD2 C 24.200 0.02 . 205 193 27 LEU N N 121.075 0.05 . 206 194 28 TYR H H 9.083 0.01 . 207 194 28 TYR HA H 5.616 0.00 . 208 194 28 TYR HB2 H 2.934 0.01 . 209 194 28 TYR HD1 H 7.051 0.00 . 210 194 28 TYR HD2 H 7.050 0.00 . 211 194 28 TYR HE1 H 6.372 0.00 . 212 194 28 TYR HE2 H 6.366 0.00 . 213 194 28 TYR C C 174.093 0.00 . 214 194 28 TYR CA C 56.766 0.03 . 215 194 28 TYR CD1 C 133.181 0.00 . 216 194 28 TYR CD2 C 133.185 0.00 . 217 194 28 TYR CE1 C 117.723 0.00 . 218 194 28 TYR CE2 C 117.737 0.00 . 219 194 28 TYR N N 121.348 0.03 . 220 195 29 ALA H H 8.971 0.01 . 221 195 29 ALA HA H 5.000 0.01 . 222 195 29 ALA HB H 1.630 0.01 . 223 195 29 ALA C C 176.394 0.00 . 224 195 29 ALA CA C 51.082 0.06 . 225 195 29 ALA CB C 22.961 0.06 . 226 195 29 ALA N N 123.187 0.04 . 227 196 30 THR H H 8.885 0.00 . 228 196 30 THR HA H 4.940 0.01 . 229 196 30 THR HB H 4.039 0.00 . 230 196 30 THR HG2 H 1.193 0.01 . 231 196 30 THR C C 173.176 0.00 . 232 196 30 THR CA C 62.285 0.07 . 233 196 30 THR CB C 70.833 0.04 . 234 196 30 THR CG2 C 22.477 0.03 . 235 196 30 THR N N 114.960 0.02 . 236 197 31 LEU H H 8.861 0.00 . 237 197 31 LEU HA H 4.696 0.01 . 238 197 31 LEU HB2 H 1.619 0.01 . 239 197 31 LEU HB3 H 1.199 0.01 . 240 197 31 LEU HG H 1.292 0.01 . 241 197 31 LEU HD1 H 0.589 0.01 . 242 197 31 LEU HD2 H 0.963 0.00 . 243 197 31 LEU C C 173.537 0.00 . 244 197 31 LEU CA C 53.186 0.04 . 245 197 31 LEU CB C 46.990 0.03 . 246 197 31 LEU CG C 26.764 0.10 . 247 197 31 LEU CD1 C 26.252 0.05 . 248 197 31 LEU CD2 C 24.013 0.02 . 249 197 31 LEU N N 127.296 0.04 . 250 198 32 ASP H H 8.619 0.01 . 251 198 32 ASP HA H 5.171 0.01 . 252 198 32 ASP HB2 H 2.516 0.00 . 253 198 32 ASP HB3 H 2.648 0.01 . 254 198 32 ASP C C 175.827 0.00 . 255 198 32 ASP CA C 54.251 0.03 . 256 198 32 ASP CB C 40.695 0.05 . 257 198 32 ASP N N 129.821 0.03 . 258 199 33 VAL H H 9.248 0.01 . 259 199 33 VAL HA H 4.527 0.01 . 260 199 33 VAL HB H 1.941 0.01 . 261 199 33 VAL HG1 H 0.887 0.00 . 262 199 33 VAL HG2 H 0.826 0.01 . 263 199 33 VAL CA C 58.685 0.05 . 264 199 33 VAL CB C 34.905 0.04 . 265 199 33 VAL CG1 C 22.980 0.04 . 266 199 33 VAL CG2 C 21.933 0.05 . 267 199 33 VAL N N 124.903 0.03 . 268 200 34 PRO HA H 4.680 0.00 . 269 200 34 PRO HB2 H 2.501 0.01 . 270 200 34 PRO HB3 H 1.784 0.01 . 271 200 34 PRO HG2 H 2.157 0.01 . 272 200 34 PRO HG3 H 1.953 0.00 . 273 200 34 PRO HD2 H 3.960 0.01 . 274 200 34 PRO HD3 H 3.395 0.00 . 275 200 34 PRO CA C 62.459 0.04 . 276 200 34 PRO CB C 33.232 0.02 . 277 200 34 PRO CG C 28.184 0.06 . 278 200 34 PRO CD C 51.225 0.01 . 279 201 35 ALA H H 9.030 0.00 . 280 201 35 ALA HA H 4.192 0.01 . 281 201 35 ALA HB H 1.473 0.01 . 282 201 35 ALA CA C 57.161 0.03 . 283 201 35 ALA CB C 16.140 0.03 . 284 201 35 ALA N N 127.268 0.02 . 285 202 36 PRO HA H 4.363 0.00 . 286 202 36 PRO HB2 H 2.381 0.00 . 287 202 36 PRO HB3 H 1.825 0.01 . 288 202 36 PRO HD2 H 3.572 0.01 . 289 202 36 PRO HD3 H 3.879 0.00 . 290 202 36 PRO C C 179.837 0.00 . 291 202 36 PRO CA C 66.197 0.04 . 292 202 36 PRO CB C 31.444 0.05 . 293 202 36 PRO CG C 28.506 0.10 . 294 202 36 PRO CD C 50.367 0.06 . 295 203 37 ILE H H 7.123 0.00 . 296 203 37 ILE HA H 3.600 0.00 . 297 203 37 ILE HB H 1.893 0.01 . 298 203 37 ILE HG12 H 1.223 0.01 . 299 203 37 ILE HG13 H 1.235 0.00 . 300 203 37 ILE HG2 H 0.516 0.01 . 301 203 37 ILE HD1 H 0.837 0.00 . 302 203 37 ILE C C 176.741 0.00 . 303 203 37 ILE CA C 62.623 0.02 . 304 203 37 ILE CB C 36.626 0.05 . 305 203 37 ILE CG1 C 28.639 0.04 . 306 203 37 ILE CG2 C 16.253 0.02 . 307 203 37 ILE CD1 C 11.894 0.05 . 308 203 37 ILE N N 116.586 0.06 . 309 204 38 ALA H H 7.587 0.00 . 310 204 38 ALA HA H 3.773 0.01 . 311 204 38 ALA HB H 1.421 0.01 . 312 204 38 ALA C C 177.772 0.00 . 313 204 38 ALA CA C 55.057 0.03 . 314 204 38 ALA CB C 17.422 0.04 . 315 204 38 ALA N N 121.933 0.06 . 316 205 39 VAL H H 7.291 0.01 . 317 205 39 VAL HA H 3.770 0.00 . 318 205 39 VAL HB H 2.116 0.01 . 319 205 39 VAL HG1 H 1.084 0.01 . 320 205 39 VAL HG2 H 0.972 0.01 . 321 205 39 VAL C C 179.407 0.00 . 322 205 39 VAL CA C 66.985 0.03 . 323 205 39 VAL CB C 32.342 0.05 . 324 205 39 VAL CG1 C 22.360 0.03 . 325 205 39 VAL CG2 C 21.294 0.03 . 326 205 39 VAL N N 111.868 0.04 . 327 206 40 VAL H H 7.266 0.00 . 328 206 40 VAL HA H 4.285 0.01 . 329 206 40 VAL HB H 2.354 0.00 . 330 206 40 VAL HG1 H 1.165 0.00 . 331 206 40 VAL HG2 H 1.089 0.01 . 332 206 40 VAL C C 177.353 0.00 . 333 206 40 VAL CA C 63.041 0.04 . 334 206 40 VAL CB C 33.266 0.05 . 335 206 40 VAL CG1 C 19.622 0.05 . 336 206 40 VAL CG2 C 22.033 0.06 . 337 206 40 VAL N N 113.065 0.02 . 338 207 41 GLY H H 8.390 0.00 . 339 207 41 GLY HA2 H 4.128 0.00 . 340 207 41 GLY HA3 H 4.129 0.01 . 341 207 41 GLY C C 172.507 0.00 . 342 207 41 GLY CA C 43.902 0.06 . 343 207 41 GLY N N 114.005 0.03 . 344 208 42 GLY H H 8.020 0.00 . 345 208 42 GLY HA2 H 3.930 0.01 . 346 208 42 GLY HA3 H 4.152 0.01 . 347 208 42 GLY CA C 45.529 0.05 . 348 208 42 GLY N N 104.866 0.03 . 349 209 43 LYS H H 8.402 0.00 . 350 209 43 LYS HA H 5.379 0.00 . 351 209 43 LYS HB2 H 1.532 0.01 . 352 209 43 LYS HB3 H 1.652 0.01 . 353 209 43 LYS HG2 H 1.384 0.01 . 354 209 43 LYS HG3 H 1.269 0.01 . 355 209 43 LYS HD2 H 1.481 0.01 . 356 209 43 LYS HD3 H 1.576 0.00 . 357 209 43 LYS HE2 H 2.956 0.00 . 358 209 43 LYS C C 176.264 0.00 . 359 209 43 LYS CA C 55.041 0.05 . 360 209 43 LYS CB C 34.962 0.04 . 361 209 43 LYS CG C 24.944 0.04 . 362 209 43 LYS CD C 29.173 0.04 . 363 209 43 LYS CE C 42.164 0.08 . 364 209 43 LYS N N 120.349 0.02 . 365 210 44 VAL H H 8.651 0.01 . 366 210 44 VAL HA H 4.562 0.00 . 367 210 44 VAL HB H 2.107 0.01 . 368 210 44 VAL HG1 H 0.869 0.00 . 369 210 44 VAL HG2 H 1.089 0.00 . 370 210 44 VAL C C 174.139 0.00 . 371 210 44 VAL CA C 59.934 0.04 . 372 210 44 VAL CB C 36.013 0.07 . 373 210 44 VAL CG1 C 21.095 0.04 . 374 210 44 VAL CG2 C 22.353 0.04 . 375 210 44 VAL N N 117.085 0.03 . 376 211 45 ARG H H 8.547 0.00 . 377 211 45 ARG HA H 5.107 0.01 . 378 211 45 ARG HB2 H 1.765 0.01 . 379 211 45 ARG HG2 H 1.608 0.01 . 380 211 45 ARG HG3 H 1.486 0.01 . 381 211 45 ARG HD2 H 3.156 0.02 . 382 211 45 ARG HD3 H 3.145 0.00 . 383 211 45 ARG C C 175.047 0.00 . 384 211 45 ARG CA C 55.717 0.04 . 385 211 45 ARG CB C 31.704 0.08 . 386 211 45 ARG CG C 28.272 0.09 . 387 211 45 ARG CD C 43.467 0.04 . 388 211 45 ARG N N 124.373 0.03 . 389 212 46 ALA H H 9.011 0.00 . 390 212 46 ALA HA H 4.670 0.00 . 391 212 46 ALA HB H 1.120 0.01 . 392 212 46 ALA C C 175.861 0.00 . 393 212 46 ALA CA C 50.369 0.04 . 394 212 46 ALA CB C 23.063 0.07 . 395 212 46 ALA N N 124.777 0.04 . 396 213 47 MET H H 8.348 0.01 . 397 213 47 MET HA H 4.695 0.01 . 398 213 47 MET HB2 H 1.632 0.01 . 399 213 47 MET HB3 H 1.437 0.01 . 400 213 47 MET HG2 H 2.399 0.00 . 401 213 47 MET HG3 H 2.106 0.01 . 402 213 47 MET HE H 2.007 0.01 . 403 213 47 MET C C 173.531 0.00 . 404 213 47 MET CA C 53.460 0.04 . 405 213 47 MET CB C 32.255 0.07 . 406 213 47 MET CG C 32.402 0.02 . 407 213 47 MET CE C 16.377 0.03 . 408 213 47 MET N N 120.273 0.04 . 409 214 48 THR H H 6.781 0.01 . 410 214 48 THR HA H 4.318 0.01 . 411 214 48 THR HB H 4.767 0.01 . 412 214 48 THR HG2 H 0.779 0.01 . 413 214 48 THR C C 175.213 0.00 . 414 214 48 THR CA C 59.813 0.03 . 415 214 48 THR CB C 71.920 0.07 . 416 214 48 THR CG2 C 22.296 0.07 . 417 214 48 THR N N 109.404 0.05 . 418 215 49 LEU H H 9.271 0.01 . 419 215 49 LEU HA H 4.031 0.00 . 420 215 49 LEU HB2 H 1.862 0.02 . 421 215 49 LEU HB3 H 1.695 0.01 . 422 215 49 LEU HG H 1.727 0.01 . 423 215 49 LEU HD1 H 0.886 0.00 . 424 215 49 LEU HD2 H 0.922 0.00 . 425 215 49 LEU C C 177.420 0.00 . 426 215 49 LEU CA C 58.334 0.09 . 427 215 49 LEU CB C 40.807 0.04 . 428 215 49 LEU CG C 27.703 0.08 . 429 215 49 LEU CD1 C 24.798 0.13 . 430 215 49 LEU CD2 C 24.252 0.02 . 431 215 49 LEU N N 121.201 0.03 . 432 216 50 GLU H H 7.681 0.00 . 433 216 50 GLU HA H 4.316 0.00 . 434 216 50 GLU HB2 H 2.188 0.01 . 435 216 50 GLU HB3 H 1.808 0.01 . 436 216 50 GLU HG2 H 2.104 0.02 . 437 216 50 GLU HG3 H 2.476 0.00 . 438 216 50 GLU C C 175.625 0.00 . 439 216 50 GLU CA C 57.398 0.05 . 440 216 50 GLU CB C 29.578 0.05 . 441 216 50 GLU CG C 37.697 0.06 . 442 216 50 GLU N N 114.841 0.03 . 443 217 51 GLY H H 7.194 0.01 . 444 217 51 GLY HA3 H 3.743 0.01 . 445 217 51 GLY CA C 44.090 0.06 . 446 217 51 GLY N N 107.530 0.04 . 447 218 52 PRO HA H 5.117 0.00 . 448 218 52 PRO HB2 H 1.749 0.01 . 449 218 52 PRO HB3 H 2.167 0.02 . 450 218 52 PRO HG2 H 1.959 0.00 . 451 218 52 PRO HD2 H 3.746 0.01 . 452 218 52 PRO HD3 H 3.514 0.01 . 453 218 52 PRO C C 177.255 0.00 . 454 218 52 PRO CA C 62.891 0.03 . 455 218 52 PRO CB C 32.291 0.06 . 456 218 52 PRO CG C 27.322 0.02 . 457 218 52 PRO CD C 49.654 0.03 . 458 219 53 VAL H H 9.082 0.01 . 459 219 53 VAL HA H 5.002 0.01 . 460 219 53 VAL HB H 2.108 0.00 . 461 219 53 VAL HG1 H 0.459 0.01 . 462 219 53 VAL HG2 H 0.770 0.00 . 463 219 53 VAL C C 174.092 0.00 . 464 219 53 VAL CA C 58.722 0.05 . 465 219 53 VAL CB C 36.177 0.06 . 466 219 53 VAL CG1 C 18.412 0.03 . 467 219 53 VAL CG2 C 22.171 0.05 . 468 219 53 VAL N N 114.511 0.03 . 469 220 54 GLU H H 9.163 0.00 . 470 220 54 GLU HA H 4.888 0.01 . 471 220 54 GLU HB2 H 1.832 0.01 . 472 220 54 GLU HB3 H 1.781 0.02 . 473 220 54 GLU HG2 H 2.120 0.00 . 474 220 54 GLU HG3 H 1.952 0.00 . 475 220 54 GLU C C 176.054 0.00 . 476 220 54 GLU CA C 55.149 0.04 . 477 220 54 GLU CB C 31.712 0.07 . 478 220 54 GLU CG C 37.253 0.04 . 479 220 54 GLU N N 120.156 0.04 . 480 221 55 VAL H H 9.418 0.01 . 481 221 55 VAL HA H 4.401 0.01 . 482 221 55 VAL HB H 1.849 0.01 . 483 221 55 VAL HG1 H 0.749 0.01 . 484 221 55 VAL HG2 H 0.724 0.01 . 485 221 55 VAL C C 173.964 0.00 . 486 221 55 VAL CA C 60.999 0.03 . 487 221 55 VAL CB C 34.220 0.04 . 488 221 55 VAL CG1 C 22.866 0.04 . 489 221 55 VAL CG2 C 21.410 0.04 . 490 221 55 VAL N N 126.802 0.03 . 491 222 56 ALA H H 8.401 0.01 . 492 222 56 ALA HA H 4.556 0.01 . 493 222 56 ALA HB H 1.333 0.01 . 494 222 56 ALA C C 175.595 0.00 . 495 222 56 ALA CA C 51.255 0.06 . 496 222 56 ALA CB C 18.337 0.05 . 497 222 56 ALA N N 129.010 0.02 . 498 223 57 VAL H H 8.988 0.00 . 499 223 57 VAL HA H 4.130 0.01 . 500 223 57 VAL HB H 1.996 0.01 . 501 223 57 VAL HG1 H 0.840 0.00 . 502 223 57 VAL HG2 H 0.951 0.01 . 503 223 57 VAL CA C 60.072 0.03 . 504 223 57 VAL CB C 32.733 0.06 . 505 223 57 VAL CG1 C 22.410 0.05 . 506 223 57 VAL CG2 C 20.863 0.04 . 507 223 57 VAL N N 127.665 0.02 . 508 224 58 PRO HA H 4.763 0.00 . 509 224 58 PRO HB2 H 2.463 0.00 . 510 224 58 PRO HB3 H 1.771 0.00 . 511 224 58 PRO HG2 H 2.009 0.01 . 512 224 58 PRO HG3 H 1.959 0.01 . 513 224 58 PRO HD2 H 4.156 0.01 . 514 224 58 PRO HD3 H 3.588 0.01 . 515 224 58 PRO CA C 61.299 0.01 . 516 224 58 PRO CB C 30.767 0.03 . 517 224 58 PRO CG C 27.374 0.04 . 518 224 58 PRO CD C 50.945 0.08 . 519 225 59 PRO HA H 4.010 0.01 . 520 225 59 PRO HB2 H 2.240 0.01 . 521 225 59 PRO HB3 H 1.785 0.01 . 522 225 59 PRO HG3 H 2.037 0.01 . 523 225 59 PRO HD2 H 3.851 0.01 . 524 225 59 PRO HD3 H 3.571 0.01 . 525 225 59 PRO C C 175.609 0.00 . 526 225 59 PRO CA C 63.002 0.04 . 527 225 59 PRO CB C 32.361 0.08 . 528 225 59 PRO CG C 27.316 0.07 . 529 225 59 PRO CD C 50.208 0.05 . 530 226 60 ARG H H 8.347 0.00 . 531 226 60 ARG HA H 3.903 0.00 . 532 226 60 ARG HB2 H 1.942 0.01 . 533 226 60 ARG HB3 H 2.071 0.01 . 534 226 60 ARG HG2 H 1.634 0.00 . 535 226 60 ARG HG3 H 1.679 0.00 . 536 226 60 ARG HD2 H 3.213 0.01 . 537 226 60 ARG HD3 H 3.310 0.01 . 538 226 60 ARG C C 176.218 0.00 . 539 226 60 ARG CA C 56.839 0.05 . 540 226 60 ARG CB C 26.510 0.04 . 541 226 60 ARG CG C 27.872 0.07 . 542 226 60 ARG CD C 43.320 0.03 . 543 226 60 ARG N N 116.947 0.06 . 544 227 61 THR H H 8.505 0.01 . 545 227 61 THR HA H 3.998 0.01 . 546 227 61 THR HB H 3.961 0.01 . 547 227 61 THR HG2 H 1.124 0.01 . 548 227 61 THR C C 173.076 0.00 . 549 227 61 THR CA C 65.375 0.04 . 550 227 61 THR CB C 69.394 0.04 . 551 227 61 THR CG2 C 23.305 0.06 . 552 227 61 THR N N 119.763 0.05 . 553 228 62 GLN H H 8.170 0.00 . 554 228 62 GLN HA H 4.443 0.01 . 555 228 62 GLN HB2 H 2.166 0.00 . 556 228 62 GLN HB3 H 1.911 0.00 . 557 228 62 GLN HG2 H 2.362 0.00 . 558 228 62 GLN C C 174.726 0.00 . 559 228 62 GLN CA C 53.692 0.03 . 560 228 62 GLN CB C 31.372 0.05 . 561 228 62 GLN CG C 34.017 0.03 . 562 228 62 GLN N N 125.639 0.06 . 563 229 63 ALA H H 8.454 0.01 . 564 229 63 ALA HA H 3.855 0.01 . 565 229 63 ALA HB H 1.466 0.01 . 566 229 63 ALA C C 178.753 0.00 . 567 229 63 ALA CA C 53.619 0.04 . 568 229 63 ALA CB C 18.633 0.03 . 569 229 63 ALA N N 121.557 0.05 . 570 230 64 GLY H H 9.019 0.00 . 571 230 64 GLY HA2 H 4.417 0.01 . 572 230 64 GLY HA3 H 3.639 0.01 . 573 230 64 GLY C C 174.341 0.00 . 574 230 64 GLY CA C 45.117 0.04 . 575 230 64 GLY N N 111.147 0.03 . 576 231 65 ARG H H 7.584 0.00 . 577 231 65 ARG HA H 4.315 0.01 . 578 231 65 ARG HB2 H 2.171 0.00 . 579 231 65 ARG HB3 H 1.742 0.01 . 580 231 65 ARG HG2 H 1.727 0.01 . 581 231 65 ARG HD2 H 3.193 0.01 . 582 231 65 ARG HD3 H 3.294 0.01 . 583 231 65 ARG C C 174.861 0.00 . 584 231 65 ARG CA C 56.706 0.06 . 585 231 65 ARG CB C 30.824 0.05 . 586 231 65 ARG CG C 27.126 0.09 . 587 231 65 ARG CD C 43.570 0.05 . 588 231 65 ARG N N 121.433 0.03 . 589 232 66 LYS H H 8.778 0.00 . 590 232 66 LYS HA H 5.333 0.01 . 591 232 66 LYS HB2 H 2.036 0.01 . 592 232 66 LYS HB3 H 1.635 0.00 . 593 232 66 LYS HG2 H 1.689 0.01 . 594 232 66 LYS HG3 H 1.468 0.01 . 595 232 66 LYS HD2 H 1.745 0.00 . 596 232 66 LYS HE3 H 3.001 0.01 . 597 232 66 LYS C C 174.988 0.00 . 598 232 66 LYS CA C 54.923 0.03 . 599 232 66 LYS CB C 34.760 0.06 . 600 232 66 LYS CG C 26.145 0.06 . 601 232 66 LYS CD C 29.272 0.08 . 602 232 66 LYS CE C 41.883 0.05 . 603 232 66 LYS N N 123.140 0.05 . 604 233 67 LEU H H 9.235 0.01 . 605 233 67 LEU HA H 5.138 0.01 . 606 233 67 LEU HB2 H 1.785 0.01 . 607 233 67 LEU HB3 H 1.190 0.01 . 608 233 67 LEU HG H 1.702 0.01 . 609 233 67 LEU HD1 H 0.784 0.01 . 610 233 67 LEU HD2 H 0.744 0.00 . 611 233 67 LEU C C 175.401 0.00 . 612 233 67 LEU CA C 52.803 0.05 . 613 233 67 LEU CB C 42.409 0.07 . 614 233 67 LEU CG C 27.441 0.08 . 615 233 67 LEU CD1 C 23.858 0.02 . 616 233 67 LEU CD2 C 26.129 0.05 . 617 233 67 LEU N N 123.595 0.04 . 618 234 68 ARG H H 9.197 0.00 . 619 234 68 ARG HA H 4.546 0.01 . 620 234 68 ARG HB2 H 1.974 0.00 . 621 234 68 ARG HG2 H 1.650 0.01 . 622 234 68 ARG HD2 H 3.189 0.00 . 623 234 68 ARG C C 174.821 0.00 . 624 234 68 ARG CA C 55.122 0.03 . 625 234 68 ARG CB C 32.998 0.06 . 626 234 68 ARG CG C 27.030 0.00 . 627 234 68 ARG CD C 43.729 0.00 . 628 234 68 ARG N N 124.265 0.07 . 629 235 69 LEU H H 9.415 0.00 . 630 235 69 LEU HA H 4.716 0.01 . 631 235 69 LEU HB2 H 1.527 0.01 . 632 235 69 LEU HB3 H 0.903 0.01 . 633 235 69 LEU HG H 1.337 0.01 . 634 235 69 LEU HD1 H 0.249 0.01 . 635 235 69 LEU HD2 H 0.435 0.01 . 636 235 69 LEU C C 176.260 0.00 . 637 235 69 LEU CA C 53.972 0.05 . 638 235 69 LEU CB C 39.947 0.03 . 639 235 69 LEU CG C 28.493 0.06 . 640 235 69 LEU CD1 C 24.781 0.02 . 641 235 69 LEU CD2 C 24.832 0.04 . 642 235 69 LEU N N 129.218 0.03 . 643 236 70 LYS H H 8.926 0.00 . 644 236 70 LYS HA H 4.088 0.01 . 645 236 70 LYS HB2 H 1.724 0.01 . 646 236 70 LYS HB3 H 1.722 0.00 . 647 236 70 LYS HG2 H 1.487 0.01 . 648 236 70 LYS HG3 H 1.292 0.01 . 649 236 70 LYS HD2 H 1.656 0.01 . 650 236 70 LYS HE2 H 2.945 0.02 . 651 236 70 LYS HE3 H 3.000 0.01 . 652 236 70 LYS C C 178.799 0.00 . 653 236 70 LYS CA C 56.964 0.06 . 654 236 70 LYS CB C 32.059 0.06 . 655 236 70 LYS CG C 25.012 0.03 . 656 236 70 LYS CD C 28.968 0.08 . 657 236 70 LYS CE C 41.747 0.04 . 658 236 70 LYS N N 126.973 0.03 . 659 237 71 GLY H H 9.513 0.01 . 660 237 71 GLY HA2 H 3.972 0.01 . 661 237 71 GLY HA3 H 3.747 0.01 . 662 237 71 GLY C C 174.865 0.00 . 663 237 71 GLY CA C 46.841 0.09 . 664 237 71 GLY N N 112.799 0.03 . 665 238 72 LYS H H 6.638 0.00 . 666 238 72 LYS HA H 4.685 0.01 . 667 238 72 LYS HB2 H 1.489 0.02 . 668 238 72 LYS HB3 H 2.096 0.12 . 669 238 72 LYS HG2 H 1.217 0.01 . 670 238 72 LYS C C 176.273 0.00 . 671 238 72 LYS CA C 53.791 0.00 . 672 238 72 LYS CB C 31.797 0.06 . 673 238 72 LYS CG C 23.872 0.05 . 674 238 72 LYS CD C 27.681 0.00 . 675 238 72 LYS CE C 42.195 0.00 . 676 238 72 LYS N N 114.417 0.03 . 677 239 73 GLY H H 8.230 0.01 . 678 239 73 GLY HA2 H 4.119 0.01 . 679 239 73 GLY HA3 H 3.215 0.00 . 680 239 73 GLY C C 173.739 0.00 . 681 239 73 GLY CA C 43.241 0.08 . 682 239 73 GLY N N 107.917 0.04 . 683 240 74 PHE H H 8.611 0.01 . 684 240 74 PHE HB2 H 3.185 0.01 . 685 240 74 PHE HB3 H 2.940 0.01 . 686 240 74 PHE HD1 H 7.122 0.00 . 687 240 74 PHE HD2 H 7.130 0.00 . 688 240 74 PHE HE1 H 7.136 0.01 . 689 240 74 PHE HE2 H 7.145 0.01 . 690 240 74 PHE HZ H 7.006 0.01 . 691 240 74 PHE CA C 55.789 0.01 . 692 240 74 PHE CB C 38.369 0.07 . 693 240 74 PHE CD1 C 130.422 0.00 . 694 240 74 PHE CD2 C 130.455 0.00 . 695 240 74 PHE CE1 C 131.856 0.00 . 696 240 74 PHE CE2 C 131.880 0.00 . 697 240 74 PHE CZ C 129.647 0.00 . 698 240 74 PHE N N 119.714 0.08 . 699 241 75 PRO HA H 4.640 0.01 . 700 241 75 PRO HB2 H 2.058 0.05 . 701 241 75 PRO HB3 H 2.275 0.01 . 702 241 75 PRO HG2 H 2.158 0.00 . 703 241 75 PRO HD2 H 3.638 0.01 . 704 241 75 PRO HD3 H 3.906 0.01 . 705 241 75 PRO C C 175.008 0.00 . 706 241 75 PRO CA C 63.358 0.04 . 707 241 75 PRO CB C 32.493 0.08 . 708 241 75 PRO CG C 27.328 0.05 . 709 241 75 PRO CD C 50.883 0.04 . 710 242 76 GLY H H 7.804 0.00 . 711 242 76 GLY HA2 H 4.346 0.01 . 712 242 76 GLY HA3 H 4.032 0.01 . 713 242 76 GLY CA C 45.069 0.04 . 714 242 76 GLY N N 108.550 0.04 . 715 243 77 PRO HA H 4.335 0.00 . 716 243 77 PRO HB2 H 1.973 0.01 . 717 243 77 PRO HB3 H 2.365 0.00 . 718 243 77 PRO HG3 H 2.031 0.01 . 719 243 77 PRO HD2 H 3.686 0.01 . 720 243 77 PRO HD3 H 3.545 0.01 . 721 243 77 PRO C C 177.439 0.00 . 722 243 77 PRO CA C 64.897 0.03 . 723 243 77 PRO CB C 32.059 0.05 . 724 243 77 PRO CG C 27.258 0.04 . 725 243 77 PRO CD C 49.514 0.02 . 726 244 78 ALA H H 8.603 0.00 . 727 244 78 ALA HA H 4.631 0.01 . 728 244 78 ALA HB H 1.356 0.01 . 729 244 78 ALA C C 176.676 0.00 . 730 244 78 ALA CA C 51.287 0.03 . 731 244 78 ALA CB C 19.008 0.03 . 732 244 78 ALA N N 120.104 0.04 . 733 245 79 GLY H H 7.530 0.00 . 734 245 79 GLY HA2 H 4.443 0.01 . 735 245 79 GLY HA3 H 3.805 0.01 . 736 245 79 GLY C C 173.147 0.00 . 737 245 79 GLY CA C 44.277 0.03 . 738 245 79 GLY N N 108.080 0.03 . 739 246 80 ARG H H 8.512 0.00 . 740 246 80 ARG HA H 4.717 0.00 . 741 246 80 ARG HB2 H 1.652 0.01 . 742 246 80 ARG HB3 H 1.640 0.01 . 743 246 80 ARG HG2 H 1.372 0.01 . 744 246 80 ARG HG3 H 1.796 0.01 . 745 246 80 ARG HD2 H 3.202 0.01 . 746 246 80 ARG HD3 H 3.216 0.00 . 747 246 80 ARG C C 178.276 0.00 . 748 246 80 ARG CA C 55.865 0.06 . 749 246 80 ARG CB C 32.681 0.05 . 750 246 80 ARG CG C 27.854 0.06 . 751 246 80 ARG CD C 43.310 0.10 . 752 246 80 ARG N N 119.973 0.04 . 753 247 81 GLY H H 8.172 0.01 . 754 247 81 GLY HA2 H 4.358 0.01 . 755 247 81 GLY HA3 H 3.772 0.01 . 756 247 81 GLY C C 172.590 0.00 . 757 247 81 GLY CA C 44.012 0.11 . 758 247 81 GLY N N 107.691 0.04 . 759 248 82 ASP H H 9.239 0.01 . 760 248 82 ASP HA H 4.948 0.01 . 761 248 82 ASP HB2 H 1.832 0.01 . 762 248 82 ASP HB3 H 2.280 0.01 . 763 248 82 ASP C C 173.007 0.00 . 764 248 82 ASP CA C 53.996 0.06 . 765 248 82 ASP CB C 44.503 0.09 . 766 248 82 ASP N N 119.008 0.03 . 767 249 83 LEU H H 7.374 0.01 . 768 249 83 LEU HA H 4.935 0.01 . 769 249 83 LEU HB2 H 1.627 0.01 . 770 249 83 LEU HB3 H 1.012 0.02 . 771 249 83 LEU HG H 1.245 0.01 . 772 249 83 LEU HD1 H 0.854 0.01 . 773 249 83 LEU HD2 H 0.769 0.01 . 774 249 83 LEU C C 173.606 0.00 . 775 249 83 LEU CA C 52.939 0.05 . 776 249 83 LEU CB C 45.854 0.04 . 777 249 83 LEU CG C 27.955 0.04 . 778 249 83 LEU CD1 C 26.335 0.04 . 779 249 83 LEU CD2 C 23.289 0.05 . 780 249 83 LEU N N 121.295 0.03 . 781 250 84 TYR H H 9.362 0.01 . 782 250 84 TYR HA H 4.754 0.01 . 783 250 84 TYR HB2 H 2.624 0.01 . 784 250 84 TYR HB3 H 2.275 0.01 . 785 250 84 TYR HD1 H 6.600 0.00 . 786 250 84 TYR HD2 H 6.595 0.00 . 787 250 84 TYR HE1 H 6.672 0.00 . 788 250 84 TYR HE2 H 6.650 0.01 . 789 250 84 TYR C C 174.230 0.00 . 790 250 84 TYR CA C 57.213 0.11 . 791 250 84 TYR CB C 41.191 0.05 . 792 250 84 TYR CD1 C 132.513 0.00 . 793 250 84 TYR CD2 C 132.452 0.00 . 794 250 84 TYR CE1 C 117.939 0.00 . 795 250 84 TYR CE2 C 117.931 0.00 . 796 250 84 TYR N N 126.054 0.05 . 797 251 85 LEU H H 9.157 0.01 . 798 251 85 LEU HA H 5.076 0.01 . 799 251 85 LEU HB2 H 1.899 0.00 . 800 251 85 LEU HB3 H 1.188 0.01 . 801 251 85 LEU HG H 1.684 0.00 . 802 251 85 LEU HD1 H 0.685 0.00 . 803 251 85 LEU HD2 H 0.804 0.00 . 804 251 85 LEU C C 175.627 0.00 . 805 251 85 LEU CA C 51.929 0.04 . 806 251 85 LEU CB C 43.018 0.09 . 807 251 85 LEU CG C 27.675 0.12 . 808 251 85 LEU CD1 C 27.048 0.10 . 809 251 85 LEU CD2 C 23.846 0.03 . 810 251 85 LEU N N 122.127 0.03 . 811 252 86 GLU H H 9.158 0.01 . 812 252 86 GLU HA H 4.729 0.01 . 813 252 86 GLU HB2 H 1.308 0.00 . 814 252 86 GLU HB3 H 1.976 0.01 . 815 252 86 GLU C C 175.980 0.00 . 816 252 86 GLU CA C 55.436 0.05 . 817 252 86 GLU CB C 31.113 0.02 . 818 252 86 GLU CG C 36.954 0.05 . 819 252 86 GLU N N 125.142 0.04 . 820 253 87 VAL H H 8.986 0.01 . 821 253 87 VAL HA H 4.273 0.01 . 822 253 87 VAL HB H 2.092 0.01 . 823 253 87 VAL HG1 H 0.699 0.00 . 824 253 87 VAL HG2 H 0.971 0.00 . 825 253 87 VAL C C 176.242 0.00 . 826 253 87 VAL CA C 64.830 0.03 . 827 253 87 VAL CB C 32.269 0.08 . 828 253 87 VAL CG1 C 21.241 0.04 . 829 253 87 VAL CG2 C 22.302 0.05 . 830 253 87 VAL N N 128.286 0.07 . 831 254 88 ARG H H 9.353 0.01 . 832 254 88 ARG HA H 4.568 0.01 . 833 254 88 ARG HB2 H 1.738 0.00 . 834 254 88 ARG HB3 H 1.924 0.01 . 835 254 88 ARG HG2 H 1.651 0.01 . 836 254 88 ARG HG3 H 1.419 0.01 . 837 254 88 ARG HD2 H 3.186 0.00 . 838 254 88 ARG HD3 H 3.159 0.01 . 839 254 88 ARG C C 173.921 0.00 . 840 254 88 ARG CA C 55.131 0.06 . 841 254 88 ARG CB C 32.454 0.05 . 842 254 88 ARG CG C 27.038 0.05 . 843 254 88 ARG CD C 43.700 0.04 . 844 254 88 ARG N N 133.689 0.04 . 845 255 89 ILE H H 8.368 0.01 . 846 255 89 ILE HA H 5.058 0.01 . 847 255 89 ILE HB H 1.920 0.01 . 848 255 89 ILE HG12 H 1.191 0.01 . 849 255 89 ILE HG13 H 1.500 0.01 . 850 255 89 ILE HG2 H 1.002 0.01 . 851 255 89 ILE HD1 H 0.656 0.01 . 852 255 89 ILE C C 176.972 0.00 . 853 255 89 ILE CA C 59.141 0.03 . 854 255 89 ILE CB C 36.755 0.05 . 855 255 89 ILE CG1 C 27.497 0.04 . 856 255 89 ILE CG2 C 17.360 0.02 . 857 255 89 ILE CD1 C 11.110 0.04 . 858 255 89 ILE N N 125.987 0.06 . 859 256 90 THR H H 8.388 0.01 . 860 256 90 THR HA H 4.319 0.01 . 861 256 90 THR HB H 4.331 0.00 . 862 256 90 THR HG2 H 0.971 0.00 . 863 256 90 THR CA C 62.194 0.04 . 864 256 90 THR CB C 70.339 0.04 . 865 256 90 THR CG2 C 22.285 0.04 . 866 256 90 THR N N 126.930 0.04 . stop_ save_