data_30635 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _BMRB_accession_number 30635 _BMRB_flat_file_name bmr30635.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" 398 "13C chemical shifts" 327 "15N chemical shifts" 76 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 'Alkaline phosphatase,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 9128.503 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MQTDLFYTMKAAGSGGSGGS GGSQDLYATLDVPAPIAVVG GKVRAMTLEGPVEVAVPPRT QAGRKLRLKGKGFPGPAGRG DLYLEVRIT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 168 MET 2 169 GLN 3 170 THR 4 171 ASP 5 172 LEU 6 173 PHE 7 174 TYR 8 175 THR 9 176 MET 10 177 LYS 11 178 ALA 12 179 ALA 13 180 GLY 14 181 SER 15 182 GLY 16 183 GLY 17 184 SER 18 185 GLY 19 186 GLY 20 187 SER 21 188 GLY 22 189 GLY 23 190 SER 24 191 GLN 25 192 ASP 26 193 LEU 27 194 TYR 28 195 ALA 29 196 THR 30 197 LEU 31 198 ASP 32 199 VAL 33 200 PRO 34 201 ALA 35 202 PRO 36 203 ILE 37 204 ALA 38 205 VAL 39 206 VAL 40 207 GLY 41 208 GLY 42 209 LYS 43 210 VAL 44 211 ARG 45 212 ALA 46 213 MET 47 214 THR 48 215 LEU 49 216 GLU 50 217 GLY 51 218 PRO 52 219 VAL 53 220 GLU 54 221 VAL 55 222 ALA 56 223 VAL 57 224 PRO 58 225 PRO 59 226 ARG 60 227 THR 61 228 GLN 62 229 ALA 63 230 GLY 64 231 ARG 65 232 LYS 66 233 LEU 67 234 ARG 68 235 LEU 69 236 LYS 70 237 GLY 71 238 LYS 72 239 GLY 73 240 PHE 74 241 PRO 75 242 GLY 76 243 PRO 77 244 ALA 78 245 GLY 79 246 ARG 80 247 GLY 81 248 ASP 82 249 LEU 83 250 TYR 84 251 LEU 85 252 GLU 86 253 VAL 87 254 ARG 88 255 ILE 89 256 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 'E. coli' 83333 Bacteria . Escherichia coli K12 'phoA, b0383, JW0374' $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] G-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 4.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_6 _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task processing 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 TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . 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_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _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 HBHA(CO)NH' '3D HNCO' '3D H(CCO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D CCH_NOESY' '3D CCH-TOCSY' 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 1 168 1 MET HG3 H 2.036 0.00 . 2 168 1 MET HE H 2.061 0.00 . 3 168 1 MET CB C 32.940 0.00 . 4 168 1 MET CE C 16.947 0.00 . 5 169 2 GLN H H 8.547 0.00 . 6 169 2 GLN HA H 4.384 0.00 . 7 169 2 GLN HB2 H 2.002 0.00 . 8 169 2 GLN HB3 H 2.090 0.02 . 9 169 2 GLN HG2 H 2.340 0.00 . 10 169 2 GLN C C 176.061 0.00 . 11 169 2 GLN CA C 56.182 0.05 . 12 169 2 GLN CB C 29.362 0.03 . 13 169 2 GLN CG C 33.872 0.04 . 14 169 2 GLN N N 122.056 0.03 . 15 170 3 THR H H 8.175 0.00 . 16 170 3 THR HA H 4.299 0.01 . 17 170 3 THR HB H 4.241 0.00 . 18 170 3 THR HG2 H 1.182 0.00 . 19 170 3 THR C C 173.666 0.00 . 20 170 3 THR CA C 62.108 0.04 . 21 170 3 THR CB C 69.800 0.02 . 22 170 3 THR CG2 C 21.712 0.05 . 23 170 3 THR N N 114.933 0.04 . 24 171 4 ASP H H 8.352 0.00 . 25 171 4 ASP HA H 4.617 0.00 . 26 171 4 ASP HB2 H 2.671 0.00 . 27 171 4 ASP HB3 H 2.720 0.00 . 28 171 4 ASP C C 176.295 0.00 . 29 171 4 ASP CA C 54.678 0.02 . 30 171 4 ASP CB C 41.392 0.10 . 31 171 4 ASP N N 122.504 0.06 . 32 172 5 LEU H H 8.094 0.00 . 33 172 5 LEU HA H 4.236 0.00 . 34 172 5 LEU HB2 H 1.475 0.00 . 35 172 5 LEU HB3 H 1.342 0.00 . 36 172 5 LEU HG H 1.499 0.00 . 37 172 5 LEU HD1 H 0.834 0.00 . 38 172 5 LEU HD2 H 0.751 0.01 . 39 172 5 LEU C C 177.105 0.00 . 40 172 5 LEU CA C 55.683 0.04 . 41 172 5 LEU CB C 42.288 0.06 . 42 172 5 LEU CG C 26.917 0.05 . 43 172 5 LEU CD1 C 24.994 0.04 . 44 172 5 LEU CD2 C 23.610 0.08 . 45 172 5 LEU N N 122.117 0.03 . 46 173 6 PHE H H 8.123 0.00 . 47 173 6 PHE HA H 4.566 0.01 . 48 173 6 PHE HB2 H 3.025 0.01 . 49 173 6 PHE HB3 H 2.988 0.00 . 50 173 6 PHE HD1 H 7.218 0.00 . 51 173 6 PHE HD2 H 7.219 0.00 . 52 173 6 PHE HE1 H 7.270 0.00 . 53 173 6 PHE HE2 H 7.273 0.00 . 54 173 6 PHE HZ H 7.101 0.00 . 55 173 6 PHE C C 175.754 0.00 . 56 173 6 PHE CA C 58.208 0.00 . 57 173 6 PHE CB C 39.546 0.04 . 58 173 6 PHE CD1 C 129.816 0.00 . 59 173 6 PHE CD2 C 129.878 0.04 . 60 173 6 PHE CE1 C 131.269 0.00 . 61 173 6 PHE CE2 C 131.270 0.00 . 62 173 6 PHE CZ C 131.940 0.00 . 63 173 6 PHE N N 119.374 0.04 . 64 174 7 TYR H H 8.050 0.01 . 65 174 7 TYR HB2 H 3.045 0.00 . 66 174 7 TYR HB3 H 2.972 0.00 . 67 174 7 TYR HD1 H 7.090 0.00 . 68 174 7 TYR HD2 H 7.085 0.00 . 69 174 7 TYR HE1 H 6.793 0.03 . 70 174 7 TYR HE2 H 6.803 0.00 . 71 174 7 TYR C C 174.423 0.00 . 72 174 7 TYR CA C 58.410 0.04 . 73 174 7 TYR CB C 38.991 0.05 . 74 174 7 TYR CD1 C 133.270 0.02 . 75 174 7 TYR CD2 C 133.352 0.00 . 76 174 7 TYR CE1 C 118.359 0.05 . 77 174 7 TYR CE2 C 118.259 0.07 . 78 174 7 TYR N N 120.132 0.07 . 79 175 8 THR H H 8.266 0.00 . 80 175 8 THR HB H 4.208 0.02 . 81 175 8 THR HG2 H 1.186 0.01 . 82 175 8 THR CA C 62.185 0.06 . 83 175 8 THR CB C 69.940 0.03 . 84 175 8 THR CG2 C 21.693 0.02 . 85 175 8 THR N N 115.668 0.00 . 86 176 9 MET H H 8.241 0.01 . 87 176 9 MET HA H 4.434 0.01 . 88 176 9 MET HB2 H 2.029 0.00 . 89 176 9 MET HB3 H 1.967 0.01 . 90 176 9 MET HE H 2.026 0.00 . 91 176 9 MET CA C 55.576 0.02 . 92 176 9 MET CB C 32.933 0.04 . 93 176 9 MET CE C 17.045 0.00 . 94 176 9 MET N N 122.161 0.04 . 95 177 10 LYS H H 8.239 0.00 . 96 177 10 LYS HA H 4.254 0.00 . 97 177 10 LYS HB2 H 1.774 0.01 . 98 177 10 LYS HB3 H 1.693 0.01 . 99 177 10 LYS HG2 H 1.370 0.01 . 100 177 10 LYS HD2 H 1.611 0.00 . 101 177 10 LYS HD3 H 1.628 0.01 . 102 177 10 LYS HE2 H 2.926 0.00 . 103 177 10 LYS C C 176.289 0.00 . 104 177 10 LYS CA C 56.410 0.04 . 105 177 10 LYS CB C 33.098 0.04 . 106 177 10 LYS CG C 24.713 0.03 . 107 177 10 LYS CD C 29.047 0.13 . 108 177 10 LYS CE C 42.100 0.02 . 109 177 10 LYS N N 122.390 0.01 . 110 178 11 ALA H H 8.272 0.00 . 111 178 11 ALA HA H 4.270 0.00 . 112 178 11 ALA HB H 1.361 0.01 . 113 178 11 ALA CA C 52.452 0.04 . 114 178 11 ALA CB C 19.218 0.04 . 115 178 11 ALA N N 125.057 0.03 . 116 179 12 ALA H H 8.287 0.00 . 117 179 12 ALA HA H 4.289 0.00 . 118 179 12 ALA HB H 1.389 0.00 . 119 179 12 ALA C C 178.356 0.00 . 120 179 12 ALA CA C 52.733 0.05 . 121 179 12 ALA CB C 19.248 0.02 . 122 179 12 ALA N N 123.485 0.02 . 123 180 13 GLY H H 8.343 0.00 . 124 180 13 GLY HA2 H 3.994 0.00 . 125 180 13 GLY CA C 45.376 0.07 . 126 180 13 GLY N N 108.092 0.05 . 127 181 14 SER H H 8.268 0.00 . 128 181 14 SER HA H 4.472 0.00 . 129 181 14 SER HB3 H 3.918 0.00 . 130 181 14 SER CA C 58.540 0.04 . 131 181 14 SER CB C 63.952 0.00 . 132 181 14 SER N N 108.743 0.00 . 133 183 16 GLY HA2 H 3.791 0.01 . 134 183 16 GLY HA3 H 3.775 0.00 . 135 183 16 GLY CA C 43.673 0.01 . 136 184 17 SER H H 8.519 0.00 . 137 184 17 SER HA H 4.494 0.00 . 138 184 17 SER HB2 H 3.864 0.00 . 139 184 17 SER HB3 H 3.913 0.00 . 140 184 17 SER CA C 58.476 0.02 . 141 184 17 SER CB C 63.958 0.02 . 142 184 17 SER N N 120.155 0.00 . 143 185 18 GLY HA3 H 4.752 0.00 . 144 185 18 GLY CA C 45.384 0.00 . 145 186 19 GLY C C 175.711 0.00 . 146 187 20 SER H H 8.514 0.00 . 147 187 20 SER C C 178.392 0.00 . 148 187 20 SER N N 120.285 0.00 . 149 188 21 GLY H H 8.127 0.00 . 150 188 21 GLY HA2 H 3.997 0.00 . 151 188 21 GLY HA3 H 3.983 0.00 . 152 188 21 GLY C C 174.699 0.00 . 153 188 21 GLY CA C 45.364 0.01 . 154 188 21 GLY N N 107.973 0.00 . 155 189 22 GLY H H 8.265 0.00 . 156 189 22 GLY HA2 H 4.027 0.00 . 157 189 22 GLY CA C 45.406 0.06 . 158 189 22 GLY N N 108.779 0.06 . 159 190 23 SER H H 7.568 0.00 . 160 190 23 SER HA H 4.505 0.00 . 161 190 23 SER HB3 H 3.971 0.00 . 162 190 23 SER C C 174.900 0.00 . 163 190 23 SER CA C 59.071 0.00 . 164 190 23 SER CB C 63.787 0.00 . 165 190 23 SER N N 116.888 0.00 . 166 191 24 GLN H H 8.697 0.00 . 167 191 24 GLN HA H 4.638 0.00 . 168 191 24 GLN HB2 H 2.464 0.00 . 169 191 24 GLN HG2 H 2.353 0.00 . 170 191 24 GLN HG3 H 2.428 0.00 . 171 191 24 GLN CA C 56.229 0.04 . 172 191 24 GLN CB C 29.468 0.03 . 173 191 24 GLN CG C 34.695 0.03 . 174 191 24 GLN N N 120.755 0.04 . 175 192 25 ASP H H 8.096 0.00 . 176 192 25 ASP HA H 5.455 0.01 . 177 192 25 ASP C C 175.086 0.00 . 178 192 25 ASP CA C 54.258 0.01 . 179 192 25 ASP CB C 42.000 0.00 . 180 192 25 ASP N N 122.261 0.02 . 181 193 26 LEU H H 8.096 0.00 . 182 193 26 LEU HB2 H 1.440 0.00 . 183 193 26 LEU HB3 H 1.233 0.00 . 184 193 26 LEU HD1 H 0.691 0.01 . 185 193 26 LEU HD2 H 0.546 0.00 . 186 193 26 LEU CA C 56.324 0.00 . 187 193 26 LEU CB C 46.916 0.01 . 188 193 26 LEU CD1 C 24.858 0.02 . 189 193 26 LEU CD2 C 24.465 0.01 . 190 193 26 LEU N N 122.343 0.01 . 191 194 27 TYR HA H 5.500 0.00 . 192 194 27 TYR HB2 H 2.977 0.00 . 193 194 27 TYR HB3 H 2.815 0.00 . 194 194 27 TYR HD1 H 7.089 0.00 . 195 194 27 TYR HD2 H 7.086 0.00 . 196 194 27 TYR HE1 H 6.450 0.00 . 197 194 27 TYR HE2 H 6.446 0.00 . 198 194 27 TYR CA C 56.998 0.02 . 199 194 27 TYR CB C 40.741 0.01 . 200 194 27 TYR CD1 C 133.450 0.04 . 201 194 27 TYR CD2 C 133.349 0.02 . 202 194 27 TYR CE1 C 117.620 0.04 . 203 194 27 TYR CE2 C 117.686 0.00 . 204 195 28 ALA H H 8.933 0.00 . 205 195 28 ALA HB H 1.487 0.00 . 206 195 28 ALA C C 177.049 0.00 . 207 195 28 ALA CA C 51.042 0.01 . 208 195 28 ALA CB C 22.933 0.05 . 209 195 28 ALA N N 124.518 0.07 . 210 196 29 THR H H 8.285 0.00 . 211 196 29 THR HA H 4.998 0.00 . 212 196 29 THR HB H 4.034 0.00 . 213 196 29 THR HG2 H 1.203 0.00 . 214 196 29 THR C C 172.977 0.00 . 215 196 29 THR CA C 62.033 0.03 . 216 196 29 THR CB C 70.930 0.04 . 217 196 29 THR CG2 C 22.425 0.04 . 218 196 29 THR N N 123.625 0.00 . 219 197 30 LEU H H 8.735 0.00 . 220 197 30 LEU HA H 4.671 0.00 . 221 197 30 LEU HB2 H 1.563 0.00 . 222 197 30 LEU HB3 H 1.183 0.00 . 223 197 30 LEU HG H 1.287 0.00 . 224 197 30 LEU HD1 H 0.575 0.00 . 225 197 30 LEU HD2 H 0.917 0.00 . 226 197 30 LEU C C 173.586 0.00 . 227 197 30 LEU CA C 53.117 0.04 . 228 197 30 LEU CB C 47.182 0.05 . 229 197 30 LEU CG C 26.748 0.00 . 230 197 30 LEU CD1 C 26.480 0.02 . 231 197 30 LEU CD2 C 23.678 0.03 . 232 197 30 LEU N N 126.696 0.05 . 233 198 31 ASP H H 8.623 0.00 . 234 198 31 ASP HA H 5.189 0.01 . 235 198 31 ASP HB2 H 2.619 0.00 . 236 198 31 ASP HB3 H 2.510 0.00 . 237 198 31 ASP C C 175.801 0.00 . 238 198 31 ASP CA C 54.171 0.04 . 239 198 31 ASP CB C 40.758 0.04 . 240 198 31 ASP N N 129.715 0.05 . 241 199 32 VAL H H 9.248 0.00 . 242 199 32 VAL HA H 4.507 0.01 . 243 199 32 VAL HG1 H 0.859 0.01 . 244 199 32 VAL HG2 H 0.810 0.00 . 245 199 32 VAL CA C 58.722 0.14 . 246 199 32 VAL CB C 34.974 0.04 . 247 199 32 VAL CG1 C 23.078 0.10 . 248 199 32 VAL CG2 C 21.864 0.04 . 249 199 32 VAL N N 124.819 0.04 . 250 200 33 PRO HB2 H 2.488 0.00 . 251 200 33 PRO HB3 H 1.781 0.00 . 252 200 33 PRO HD2 H 3.936 0.00 . 253 200 33 PRO HD3 H 3.387 0.00 . 254 200 33 PRO C C 178.569 0.00 . 255 200 33 PRO CA C 62.355 0.03 . 256 200 33 PRO CB C 29.582 8.23 . 257 200 33 PRO CD C 51.243 0.03 . 258 201 34 ALA H H 9.028 0.00 . 259 201 34 ALA HA H 4.176 0.00 . 260 201 34 ALA HB H 1.466 0.00 . 261 201 34 ALA CA C 57.139 0.02 . 262 201 34 ALA CB C 15.874 0.55 . 263 201 34 ALA N N 127.334 0.04 . 264 202 35 PRO HA H 4.355 0.00 . 265 202 35 PRO HB2 H 1.817 0.00 . 266 202 35 PRO HB3 H 1.826 0.00 . 267 202 35 PRO HG2 H 1.945 0.00 . 268 202 35 PRO HD2 H 3.878 0.00 . 269 202 35 PRO HD3 H 3.551 0.00 . 270 202 35 PRO C C 179.869 0.00 . 271 202 35 PRO CA C 66.185 0.03 . 272 202 35 PRO CB C 31.484 0.07 . 273 202 35 PRO CG C 27.153 0.03 . 274 202 35 PRO CD C 50.361 0.05 . 275 203 36 ILE H H 7.145 0.00 . 276 203 36 ILE HA H 3.618 0.00 . 277 203 36 ILE HB H 1.867 0.00 . 278 203 36 ILE HG12 H 1.218 0.01 . 279 203 36 ILE HG2 H 0.512 0.00 . 280 203 36 ILE HD1 H 0.813 0.00 . 281 203 36 ILE C C 176.739 0.00 . 282 203 36 ILE CA C 62.632 0.02 . 283 203 36 ILE CB C 36.656 0.04 . 284 203 36 ILE CG1 C 28.526 0.06 . 285 203 36 ILE CG2 C 16.188 0.00 . 286 203 36 ILE CD1 C 11.935 0.38 . 287 203 36 ILE N N 116.547 0.04 . 288 204 37 ALA H H 7.561 0.00 . 289 204 37 ALA HA H 3.784 0.00 . 290 204 37 ALA HB H 1.384 0.00 . 291 204 37 ALA C C 177.773 0.00 . 292 204 37 ALA CA C 54.974 0.03 . 293 204 37 ALA CB C 17.379 0.03 . 294 204 37 ALA N N 121.859 0.04 . 295 205 38 VAL H H 7.329 0.00 . 296 205 38 VAL HA H 3.759 0.00 . 297 205 38 VAL HB H 2.112 0.00 . 298 205 38 VAL HG1 H 1.080 0.00 . 299 205 38 VAL HG2 H 0.960 0.00 . 300 205 38 VAL C C 179.401 0.00 . 301 205 38 VAL CA C 67.029 0.03 . 302 205 38 VAL CB C 32.326 0.04 . 303 205 38 VAL CG1 C 22.384 0.06 . 304 205 38 VAL CG2 C 21.307 0.06 . 305 205 38 VAL N N 112.005 0.05 . 306 206 39 VAL H H 7.200 0.00 . 307 206 39 VAL HA H 4.242 0.00 . 308 206 39 VAL HB H 2.326 0.01 . 309 206 39 VAL HG1 H 1.169 0.00 . 310 206 39 VAL HG2 H 1.084 0.00 . 311 206 39 VAL C C 177.408 0.00 . 312 206 39 VAL CA C 63.166 0.03 . 313 206 39 VAL CB C 33.276 0.05 . 314 206 39 VAL CG1 C 19.687 0.03 . 315 206 39 VAL CG2 C 21.990 0.06 . 316 206 39 VAL N N 113.323 0.04 . 317 207 40 GLY H H 8.430 0.00 . 318 207 40 GLY HA2 H 4.095 0.01 . 319 207 40 GLY HA3 H 3.693 0.01 . 320 207 40 GLY C C 172.495 0.00 . 321 207 40 GLY CA C 43.776 0.04 . 322 207 40 GLY N N 113.739 0.04 . 323 208 41 GLY H H 8.168 0.00 . 324 208 41 GLY HA2 H 4.155 0.00 . 325 208 41 GLY HA3 H 3.913 0.00 . 326 208 41 GLY C C 171.298 0.00 . 327 208 41 GLY CA C 45.532 0.00 . 328 208 41 GLY N N 104.894 0.07 . 329 209 42 LYS H H 8.431 0.00 . 330 209 42 LYS HA H 5.314 0.00 . 331 209 42 LYS HB2 H 1.631 0.00 . 332 209 42 LYS HB3 H 1.522 0.02 . 333 209 42 LYS HG2 H 1.385 0.00 . 334 209 42 LYS HG3 H 1.186 0.00 . 335 209 42 LYS HD2 H 1.544 0.00 . 336 209 42 LYS HD3 H 1.470 0.00 . 337 209 42 LYS HE2 H 2.874 0.00 . 338 209 42 LYS C C 176.060 0.00 . 339 209 42 LYS CA C 55.133 0.05 . 340 209 42 LYS CB C 35.077 0.03 . 341 209 42 LYS CG C 24.991 0.04 . 342 209 42 LYS CD C 29.268 0.04 . 343 209 42 LYS CE C 42.108 0.03 . 344 209 42 LYS N N 120.862 0.04 . 345 210 43 VAL H H 8.687 0.00 . 346 210 43 VAL HA H 4.524 0.00 . 347 210 43 VAL HB H 2.101 0.00 . 348 210 43 VAL HG1 H 0.829 0.00 . 349 210 43 VAL HG2 H 1.020 0.00 . 350 210 43 VAL CA C 59.747 0.04 . 351 210 43 VAL CB C 35.721 0.05 . 352 210 43 VAL CG1 C 20.810 0.02 . 353 210 43 VAL CG2 C 22.213 0.03 . 354 210 43 VAL N N 117.427 0.04 . 355 211 44 ARG H H 8.522 0.00 . 356 211 44 ARG HA H 4.683 0.00 . 357 211 44 ARG HB2 H 1.742 0.00 . 358 211 44 ARG HG2 H 1.419 0.00 . 359 211 44 ARG HD2 H 3.203 0.00 . 360 211 44 ARG HD3 H 3.124 0.00 . 361 211 44 ARG C C 174.931 0.00 . 362 211 44 ARG CA C 55.915 0.08 . 363 211 44 ARG CB C 31.466 0.10 . 364 211 44 ARG CG C 27.775 0.06 . 365 211 44 ARG CD C 43.652 0.02 . 366 211 44 ARG N N 123.457 0.02 . 367 212 45 ALA H H 9.038 0.00 . 368 212 45 ALA HA H 4.662 0.00 . 369 212 45 ALA HB H 1.157 0.01 . 370 212 45 ALA CA C 50.177 0.05 . 371 212 45 ALA CB C 22.451 0.03 . 372 212 45 ALA N N 127.362 0.05 . 373 213 46 MET H H 8.519 0.00 . 374 213 46 MET HB2 H 1.779 0.00 . 375 213 46 MET HB3 H 1.919 0.00 . 376 213 46 MET HE H 2.026 0.00 . 377 213 46 MET CB C 33.096 0.05 . 378 213 46 MET CE C 16.350 0.00 . 379 213 46 MET N N 120.400 0.04 . 380 214 47 THR H H 8.419 0.00 . 381 214 47 THR HB H 4.686 0.00 . 382 214 47 THR HG2 H 0.961 0.00 . 383 214 47 THR C C 175.821 0.00 . 384 214 47 THR CA C 59.843 0.01 . 385 214 47 THR CB C 72.041 0.09 . 386 214 47 THR CG2 C 21.603 0.06 . 387 214 47 THR N N 126.960 0.00 . 388 215 48 LEU H H 9.029 0.00 . 389 215 48 LEU HA H 4.085 0.00 . 390 215 48 LEU HB2 H 1.807 0.01 . 391 215 48 LEU HB3 H 1.594 0.01 . 392 215 48 LEU HD1 H 0.818 0.01 . 393 215 48 LEU HD2 H 0.867 0.00 . 394 215 48 LEU C C 177.898 0.00 . 395 215 48 LEU CA C 57.882 0.02 . 396 215 48 LEU CB C 41.481 0.04 . 397 215 48 LEU CG C 27.305 0.12 . 398 215 48 LEU CD1 C 25.216 0.08 . 399 215 48 LEU CD2 C 23.389 0.01 . 400 215 48 LEU N N 120.920 0.10 . 401 216 49 GLU H H 7.808 0.00 . 402 216 49 GLU HA H 4.399 0.00 . 403 216 49 GLU HB2 H 2.178 0.01 . 404 216 49 GLU HB3 H 1.749 0.01 . 405 216 49 GLU HG2 H 2.278 0.00 . 406 216 49 GLU HG3 H 2.078 0.00 . 407 216 49 GLU C C 175.551 0.00 . 408 216 49 GLU CA C 56.256 0.07 . 409 216 49 GLU CB C 30.008 0.03 . 410 216 49 GLU CG C 37.174 0.08 . 411 216 49 GLU N N 115.153 0.03 . 412 217 50 GLY H H 7.334 0.00 . 413 217 50 GLY N N 108.091 0.05 . 414 218 51 PRO HA H 5.197 0.00 . 415 218 51 PRO HB2 H 1.810 0.01 . 416 218 51 PRO HB3 H 2.102 0.00 . 417 218 51 PRO HG2 H 1.956 0.00 . 418 218 51 PRO HD3 H 3.521 0.00 . 419 218 51 PRO C C 177.240 0.00 . 420 218 51 PRO CA C 62.916 0.04 . 421 218 51 PRO CB C 32.318 0.05 . 422 218 51 PRO CG C 27.405 0.05 . 423 218 51 PRO CD C 49.697 0.08 . 424 219 52 VAL H H 9.009 0.00 . 425 219 52 VAL HA H 4.468 0.00 . 426 219 52 VAL HB H 1.945 0.00 . 427 219 52 VAL HG1 H 0.784 0.00 . 428 219 52 VAL HG2 H 0.720 0.00 . 429 219 52 VAL C C 174.086 0.00 . 430 219 52 VAL CA C 59.927 0.04 . 431 219 52 VAL CB C 35.963 0.04 . 432 219 52 VAL CG1 C 21.489 0.06 . 433 219 52 VAL CG2 C 20.442 0.02 . 434 219 52 VAL N N 119.453 0.04 . 435 220 53 GLU H H 8.480 0.01 . 436 220 53 GLU HA H 4.702 0.00 . 437 220 53 GLU HB2 H 1.878 0.00 . 438 220 53 GLU HB3 H 1.834 0.08 . 439 220 53 GLU HG2 H 2.179 0.00 . 440 220 53 GLU HG3 H 1.944 0.00 . 441 220 53 GLU C C 175.544 0.00 . 442 220 53 GLU CA C 55.964 0.03 . 443 220 53 GLU CB C 31.108 0.03 . 444 220 53 GLU CG C 37.331 0.02 . 445 220 53 GLU N N 122.979 0.05 . 446 221 54 VAL H H 9.158 0.00 . 447 221 54 VAL HA H 4.158 0.00 . 448 221 54 VAL HB H 1.858 0.00 . 449 221 54 VAL HG1 H 0.736 0.00 . 450 221 54 VAL HG2 H 0.696 0.00 . 451 221 54 VAL C C 174.007 0.00 . 452 221 54 VAL CA C 60.820 0.02 . 453 221 54 VAL CB C 34.270 0.04 . 454 221 54 VAL CG1 C 21.799 0.03 . 455 221 54 VAL CG2 C 21.464 0.07 . 456 221 54 VAL N N 125.335 0.04 . 457 222 55 ALA H H 8.425 0.00 . 458 222 55 ALA HA H 4.530 0.00 . 459 222 55 ALA HB H 1.267 0.00 . 460 222 55 ALA C C 175.817 0.00 . 461 222 55 ALA CA C 51.376 0.03 . 462 222 55 ALA CB C 18.530 0.04 . 463 222 55 ALA N N 128.254 0.05 . 464 223 56 VAL H H 8.949 0.00 . 465 223 56 VAL HA H 4.266 0.00 . 466 223 56 VAL HB H 1.992 0.00 . 467 223 56 VAL HG1 H 0.918 0.00 . 468 223 56 VAL HG2 H 0.802 0.00 . 469 223 56 VAL CA C 59.356 0.02 . 470 223 56 VAL CB C 32.758 0.04 . 471 223 56 VAL CG1 C 21.164 0.05 . 472 223 56 VAL CG2 C 21.393 0.05 . 473 223 56 VAL N N 125.776 0.04 . 474 224 57 PRO HB2 H 2.416 0.01 . 475 224 57 PRO HB3 H 1.781 0.00 . 476 224 57 PRO HG3 H 1.941 0.00 . 477 224 57 PRO HD2 H 3.612 0.00 . 478 224 57 PRO HD3 H 4.054 0.00 . 479 224 57 PRO CB C 30.693 0.09 . 480 224 57 PRO CG C 27.073 0.04 . 481 224 57 PRO CD C 51.103 0.03 . 482 225 58 PRO HA H 4.003 0.00 . 483 225 58 PRO HB2 H 2.239 0.01 . 484 225 58 PRO HB3 H 1.782 0.00 . 485 225 58 PRO HG2 H 2.044 0.00 . 486 225 58 PRO HD2 H 3.851 0.00 . 487 225 58 PRO HD3 H 3.548 0.00 . 488 225 58 PRO C C 175.737 0.00 . 489 225 58 PRO CA C 63.077 0.01 . 490 225 58 PRO CB C 32.178 0.05 . 491 225 58 PRO CG C 27.401 0.02 . 492 225 58 PRO CD C 50.071 0.04 . 493 226 59 ARG H H 8.359 0.00 . 494 226 59 ARG HA H 3.906 0.00 . 495 226 59 ARG HB2 H 1.928 0.00 . 496 226 59 ARG HB3 H 2.070 0.00 . 497 226 59 ARG HG2 H 1.619 0.01 . 498 226 59 ARG HG3 H 1.589 0.00 . 499 226 59 ARG HD2 H 3.202 0.00 . 500 226 59 ARG HD3 H 3.306 0.00 . 501 226 59 ARG CA C 56.757 0.01 . 502 226 59 ARG CB C 26.415 0.15 . 503 226 59 ARG CG C 27.807 0.08 . 504 226 59 ARG CD C 43.285 0.04 . 505 226 59 ARG N N 117.343 0.05 . 506 227 60 THR H H 8.528 0.02 . 507 227 60 THR HA H 3.949 0.00 . 508 227 60 THR HB H 3.949 0.00 . 509 227 60 THR HG2 H 1.116 0.00 . 510 227 60 THR CA C 65.990 0.02 . 511 227 60 THR CB C 69.250 0.02 . 512 227 60 THR CG2 C 23.347 0.04 . 513 227 60 THR N N 120.138 0.07 . 514 228 61 GLN H H 8.170 0.00 . 515 228 61 GLN HA H 4.468 0.01 . 516 228 61 GLN HB2 H 2.179 0.00 . 517 228 61 GLN HB3 H 1.884 0.00 . 518 228 61 GLN HG2 H 2.379 0.00 . 519 228 61 GLN C C 174.787 0.00 . 520 228 61 GLN CA C 53.460 0.02 . 521 228 61 GLN CB C 31.533 0.06 . 522 228 61 GLN CG C 34.009 0.03 . 523 228 61 GLN N N 125.350 0.01 . 524 229 62 ALA H H 8.543 0.00 . 525 229 62 ALA HA H 3.864 0.00 . 526 229 62 ALA HB H 1.470 0.00 . 527 229 62 ALA C C 178.846 0.00 . 528 229 62 ALA CA C 53.597 0.04 . 529 229 62 ALA CB C 18.581 0.04 . 530 229 62 ALA N N 121.998 0.07 . 531 230 63 GLY H H 9.132 0.00 . 532 230 63 GLY HA2 H 3.651 0.00 . 533 230 63 GLY HA3 H 4.420 0.00 . 534 230 63 GLY C C 174.312 0.00 . 535 230 63 GLY CA C 44.980 0.02 . 536 230 63 GLY N N 111.202 0.05 . 537 231 64 ARG H H 7.615 0.00 . 538 231 64 ARG HA H 4.161 0.00 . 539 231 64 ARG HB2 H 1.722 0.01 . 540 231 64 ARG HB3 H 2.200 0.00 . 541 231 64 ARG HD2 H 3.452 0.00 . 542 231 64 ARG HD3 H 3.207 0.00 . 543 231 64 ARG C C 174.896 0.00 . 544 231 64 ARG CA C 56.787 0.03 . 545 231 64 ARG CB C 30.763 0.06 . 546 231 64 ARG CG C 27.649 0.07 . 547 231 64 ARG CD C 43.580 0.04 . 548 231 64 ARG N N 121.847 0.04 . 549 232 65 LYS H H 8.721 0.00 . 550 232 65 LYS HA H 5.374 0.01 . 551 232 65 LYS HB2 H 1.671 0.01 . 552 232 65 LYS HB3 H 1.948 0.01 . 553 232 65 LYS HG2 H 1.665 0.00 . 554 232 65 LYS HG3 H 1.408 0.00 . 555 232 65 LYS HD2 H 1.728 0.00 . 556 232 65 LYS HD3 H 1.680 0.00 . 557 232 65 LYS HE3 H 3.002 0.00 . 558 232 65 LYS C C 176.598 0.00 . 559 232 65 LYS CA C 54.847 0.03 . 560 232 65 LYS CB C 33.875 0.03 . 561 232 65 LYS CG C 25.733 0.02 . 562 232 65 LYS CD C 29.394 0.03 . 563 232 65 LYS CE C 42.095 0.02 . 564 232 65 LYS N N 124.010 0.03 . 565 233 66 LEU H H 9.359 0.00 . 566 233 66 LEU HA H 4.667 0.00 . 567 233 66 LEU HB2 H 1.659 0.01 . 568 233 66 LEU HB3 H 1.417 0.00 . 569 233 66 LEU HG H 1.632 0.00 . 570 233 66 LEU HD1 H 0.835 0.00 . 571 233 66 LEU HD2 H 0.752 0.00 . 572 233 66 LEU C C 174.908 0.00 . 573 233 66 LEU CA C 53.652 0.08 . 574 233 66 LEU CB C 42.572 0.05 . 575 233 66 LEU CG C 27.217 0.13 . 576 233 66 LEU CD1 C 22.963 0.01 . 577 233 66 LEU CD2 C 26.030 0.05 . 578 233 66 LEU N N 126.693 0.04 . 579 234 67 ARG H H 8.598 0.00 . 580 234 67 ARG HA H 4.418 0.01 . 581 234 67 ARG HB2 H 1.528 0.01 . 582 234 67 ARG HB3 H 1.777 0.00 . 583 234 67 ARG HG3 H 1.581 0.00 . 584 234 67 ARG C C 175.095 0.00 . 585 234 67 ARG CA C 55.143 0.02 . 586 234 67 ARG CB C 32.782 0.03 . 587 234 67 ARG CG C 27.819 0.00 . 588 234 67 ARG CD C 43.565 0.07 . 589 234 67 ARG N N 123.464 0.05 . 590 235 68 LEU H H 9.467 0.00 . 591 235 68 LEU HA H 4.629 0.00 . 592 235 68 LEU HB2 H 1.630 0.01 . 593 235 68 LEU HB3 H 1.337 0.00 . 594 235 68 LEU HG H 1.515 0.00 . 595 235 68 LEU HD1 H 0.718 0.00 . 596 235 68 LEU HD2 H 0.770 0.00 . 597 235 68 LEU C C 176.314 0.00 . 598 235 68 LEU CA C 53.759 0.02 . 599 235 68 LEU CB C 41.183 0.04 . 600 235 68 LEU CG C 27.953 0.04 . 601 235 68 LEU CD1 C 25.099 0.02 . 602 235 68 LEU CD2 C 24.695 0.12 . 603 235 68 LEU N N 130.681 0.06 . 604 236 69 LYS H H 8.582 0.00 . 605 236 69 LYS HA H 4.054 0.00 . 606 236 69 LYS HB2 H 1.675 0.03 . 607 236 69 LYS HB3 H 1.643 0.04 . 608 236 69 LYS HG2 H 1.373 0.00 . 609 236 69 LYS HG3 H 1.435 0.00 . 610 236 69 LYS HD3 H 1.622 0.00 . 611 236 69 LYS HE3 H 2.951 0.00 . 612 236 69 LYS C C 178.792 0.00 . 613 236 69 LYS CA C 56.705 0.04 . 614 236 69 LYS CB C 32.246 0.04 . 615 236 69 LYS CG C 24.838 0.05 . 616 236 69 LYS CD C 29.113 0.08 . 617 236 69 LYS CE C 41.825 0.08 . 618 236 69 LYS N N 126.818 0.03 . 619 237 70 GLY H H 9.347 0.00 . 620 237 70 GLY HA2 H 3.918 0.00 . 621 237 70 GLY HA3 H 3.747 0.00 . 622 237 70 GLY C C 174.653 0.00 . 623 237 70 GLY CA C 46.958 0.02 . 624 237 70 GLY N N 113.099 0.04 . 625 238 71 LYS H H 6.537 0.00 . 626 238 71 LYS HA H 4.691 0.01 . 627 238 71 LYS HB2 H 1.856 0.36 . 628 238 71 LYS HB3 H 1.501 0.00 . 629 238 71 LYS HG2 H 1.266 0.00 . 630 238 71 LYS HD2 H 1.522 0.01 . 631 238 71 LYS HE2 H 2.926 0.00 . 632 238 71 LYS CA C 53.968 0.06 . 633 238 71 LYS CB C 32.036 0.03 . 634 238 71 LYS CG C 24.928 0.05 . 635 238 71 LYS CD C 28.245 0.14 . 636 238 71 LYS CE C 42.534 0.00 . 637 238 71 LYS N N 114.353 0.04 . 638 239 72 GLY H H 8.214 0.00 . 639 239 72 GLY HA2 H 3.895 0.00 . 640 239 72 GLY N N 107.999 0.03 . 641 240 73 PHE H H 8.540 0.00 . 642 240 73 PHE HA H 4.661 0.00 . 643 240 73 PHE HD1 H 7.211 0.00 . 644 240 73 PHE HD2 H 7.212 0.00 . 645 240 73 PHE HE1 H 7.322 0.00 . 646 240 73 PHE HE2 H 7.320 0.00 . 647 240 73 PHE CA C 56.526 0.04 . 648 240 73 PHE CD1 C 130.952 0.00 . 649 240 73 PHE CD2 C 131.019 0.03 . 650 240 73 PHE CE1 C 131.878 0.00 . 651 240 73 PHE CE2 C 131.807 0.05 . 652 240 73 PHE N N 120.115 0.00 . 653 241 74 PRO HA H 4.574 0.00 . 654 241 74 PRO HB2 H 1.980 0.00 . 655 241 74 PRO HG3 H 2.042 0.00 . 656 241 74 PRO C C 175.232 0.00 . 657 241 74 PRO CA C 63.319 0.01 . 658 241 74 PRO CB C 32.339 0.02 . 659 241 74 PRO CG C 27.315 0.02 . 660 242 75 GLY H H 7.838 0.00 . 661 242 75 GLY HA2 H 4.383 0.00 . 662 242 75 GLY CA C 44.999 0.03 . 663 242 75 GLY N N 109.729 0.05 . 664 243 76 PRO HA H 4.318 0.00 . 665 243 76 PRO HB2 H 2.360 0.01 . 666 243 76 PRO HB3 H 1.961 0.00 . 667 243 76 PRO HG2 H 2.042 0.00 . 668 243 76 PRO HD2 H 3.687 0.00 . 669 243 76 PRO HD3 H 3.547 0.00 . 670 243 76 PRO C C 177.412 0.00 . 671 243 76 PRO CA C 64.892 0.02 . 672 243 76 PRO CB C 32.027 0.04 . 673 243 76 PRO CG C 27.241 0.05 . 674 243 76 PRO CD C 49.541 0.01 . 675 244 77 ALA H H 8.600 0.00 . 676 244 77 ALA HA H 4.617 0.00 . 677 244 77 ALA HB H 1.338 0.00 . 678 244 77 ALA C C 176.684 0.00 . 679 244 77 ALA CA C 51.230 0.03 . 680 244 77 ALA CB C 19.000 0.03 . 681 244 77 ALA N N 120.002 0.04 . 682 245 78 GLY H H 7.529 0.00 . 683 245 78 GLY HA2 H 4.444 0.00 . 684 245 78 GLY CA C 44.162 0.02 . 685 245 78 GLY N N 108.012 0.04 . 686 246 79 ARG H H 8.520 0.00 . 687 246 79 ARG HA H 4.699 0.01 . 688 246 79 ARG HB2 H 2.224 0.00 . 689 246 79 ARG HB3 H 1.552 0.06 . 690 246 79 ARG HG2 H 1.238 0.00 . 691 246 79 ARG C C 175.728 0.00 . 692 246 79 ARG CA C 53.932 0.05 . 693 246 79 ARG CB C 32.158 0.05 . 694 246 79 ARG CG C 24.903 0.04 . 695 246 79 ARG N N 120.192 0.10 . 696 247 80 GLY H H 8.152 0.04 . 697 247 80 GLY HA2 H 4.312 0.00 . 698 247 80 GLY HA3 H 3.794 0.01 . 699 247 80 GLY C C 172.578 0.00 . 700 247 80 GLY CA C 44.070 0.02 . 701 247 80 GLY N N 107.945 0.10 . 702 248 81 ASP H H 9.216 0.00 . 703 248 81 ASP HA H 4.929 0.01 . 704 248 81 ASP HB2 H 1.825 0.01 . 705 248 81 ASP HB3 H 2.288 0.01 . 706 248 81 ASP C C 173.081 0.00 . 707 248 81 ASP CA C 53.768 0.06 . 708 248 81 ASP CB C 44.018 0.05 . 709 248 81 ASP N N 119.373 0.05 . 710 249 82 LEU H H 7.651 0.00 . 711 249 82 LEU HA H 4.915 0.01 . 712 249 82 LEU HB2 H 1.660 0.00 . 713 249 82 LEU HB3 H 1.013 0.00 . 714 249 82 LEU HD1 H 0.857 0.00 . 715 249 82 LEU HD2 H 0.751 0.00 . 716 249 82 LEU C C 173.677 0.00 . 717 249 82 LEU CA C 52.877 0.09 . 718 249 82 LEU CB C 45.793 0.04 . 719 249 82 LEU CD1 C 26.504 0.05 . 720 249 82 LEU CD2 C 23.442 0.05 . 721 249 82 LEU N N 121.279 0.04 . 722 250 83 TYR H H 9.226 0.00 . 723 250 83 TYR HA H 4.968 0.00 . 724 250 83 TYR HB2 H 2.504 0.00 . 725 250 83 TYR HB3 H 2.393 0.00 . 726 250 83 TYR HD1 H 6.593 0.00 . 727 250 83 TYR HD2 H 6.594 0.00 . 728 250 83 TYR HE1 H 6.716 0.00 . 729 250 83 TYR HE2 H 6.719 0.00 . 730 250 83 TYR C C 174.697 0.00 . 731 250 83 TYR CA C 57.056 0.03 . 732 250 83 TYR CB C 40.997 0.06 . 733 250 83 TYR CD1 C 132.910 0.00 . 734 250 83 TYR CD2 C 132.860 0.00 . 735 250 83 TYR CE1 C 117.556 0.00 . 736 250 83 TYR CE2 C 117.576 0.00 . 737 250 83 TYR N N 125.796 0.04 . 738 251 84 LEU H H 9.038 0.00 . 739 251 84 LEU HA H 5.076 0.00 . 740 251 84 LEU HB2 H 1.718 0.00 . 741 251 84 LEU HB3 H 1.196 0.00 . 742 251 84 LEU HD1 H 0.752 0.00 . 743 251 84 LEU HD2 H 0.770 0.00 . 744 251 84 LEU C C 175.473 0.00 . 745 251 84 LEU CA C 51.931 0.02 . 746 251 84 LEU CB C 43.890 0.03 . 747 251 84 LEU CD1 C 27.372 0.00 . 748 251 84 LEU CD2 C 24.431 0.07 . 749 251 84 LEU N N 122.439 0.06 . 750 252 85 GLU H H 9.033 0.01 . 751 252 85 GLU HA H 4.799 0.00 . 752 252 85 GLU HB2 H 2.020 0.00 . 753 252 85 GLU HB3 H 1.980 0.01 . 754 252 85 GLU C C 176.023 0.00 . 755 252 85 GLU CA C 55.064 0.00 . 756 252 85 GLU CB C 31.380 0.01 . 757 252 85 GLU N N 124.581 0.08 . 758 253 86 VAL H H 8.982 0.00 . 759 253 86 VAL HA H 4.279 0.00 . 760 253 86 VAL HB H 2.135 0.00 . 761 253 86 VAL HG1 H 0.701 0.00 . 762 253 86 VAL HG2 H 0.976 0.01 . 763 253 86 VAL C C 176.177 0.00 . 764 253 86 VAL CA C 64.721 0.04 . 765 253 86 VAL CB C 32.365 0.04 . 766 253 86 VAL CG1 C 21.274 0.05 . 767 253 86 VAL CG2 C 22.332 0.05 . 768 253 86 VAL N N 128.209 0.04 . 769 254 87 ARG H H 9.375 0.00 . 770 254 87 ARG HA H 4.567 0.01 . 771 254 87 ARG HB2 H 1.935 0.00 . 772 254 87 ARG HB3 H 1.744 0.01 . 773 254 87 ARG HG3 H 1.417 0.00 . 774 254 87 ARG HD2 H 3.201 0.00 . 775 254 87 ARG C C 173.885 0.00 . 776 254 87 ARG CA C 55.136 0.02 . 777 254 87 ARG CB C 32.560 0.08 . 778 254 87 ARG CG C 27.044 0.09 . 779 254 87 ARG CD C 43.697 0.03 . 780 254 87 ARG N N 133.675 0.05 . 781 255 88 ILE H H 8.378 0.00 . 782 255 88 ILE HA H 5.042 0.00 . 783 255 88 ILE HB H 1.914 0.00 . 784 255 88 ILE HG12 H 1.153 0.00 . 785 255 88 ILE HG13 H 1.493 0.00 . 786 255 88 ILE HG2 H 0.995 0.00 . 787 255 88 ILE HD1 H 0.633 0.00 . 788 255 88 ILE C C 176.913 0.00 . 789 255 88 ILE CA C 59.189 0.03 . 790 255 88 ILE CB C 36.783 0.05 . 791 255 88 ILE CG1 C 27.499 0.03 . 792 255 88 ILE CG2 C 17.340 0.03 . 793 255 88 ILE CD1 C 11.181 0.01 . 794 255 88 ILE N N 126.093 0.04 . 795 256 89 THR H H 8.418 0.00 . 796 256 89 THR HB H 4.329 0.00 . 797 256 89 THR HG2 H 0.962 0.00 . 798 256 89 THR CA C 62.171 0.01 . 799 256 89 THR CB C 70.303 0.02 . 800 256 89 THR CG2 C 22.285 0.04 . 801 256 89 THR N N 127.046 0.06 . stop_ save_