data_30634 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _BMRB_accession_number 30634 _BMRB_flat_file_name bmr30634.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" 381 "13C chemical shifts" 320 "15N chemical shifts" 63 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 9053.400 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MSQLRIAAYGPHGSGGSGGS GGSQDLYATLDVPAPIAVVG GKVRAMTLEGPVEVAVPPRT QAGRKLRLKGKGFPGPAGRG DLYLEVRIT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 168 MET 2 169 SER 3 170 GLN 4 171 LEU 5 172 ARG 6 173 ILE 7 174 ALA 8 175 ALA 9 176 TYR 10 177 GLY 11 178 PRO 12 179 HIS 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] F-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 TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_7 _Saveframe_category software _Name TopSpin _Version 4.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_CCONH_tocsy_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCONH tocsy' _Sample_label $sample_1 save_ save_3D_CCH-NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-NOESY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _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 7.0 . 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 CCONH tocsy' '3D CCH-NOESY' '3D CCH-TOCSY' '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 1 168 1 MET HA H 4.472 0.00 . 2 168 1 MET HB2 H 2.039 0.00 . 3 168 1 MET HB3 H 1.969 0.00 . 4 168 1 MET HG3 H 2.041 0.00 . 5 168 1 MET C C 176.243 0.00 . 6 168 1 MET CA C 55.662 0.04 . 7 168 1 MET CB C 32.724 0.07 . 8 168 1 MET CE C 16.343 0.01 . 9 169 2 SER H H 8.480 0.00 . 10 169 2 SER HA H 4.398 0.01 . 11 169 2 SER HB3 H 3.890 0.00 . 12 169 2 SER C C 174.602 0.00 . 13 169 2 SER CA C 58.847 0.01 . 14 169 2 SER CB C 63.752 0.02 . 15 169 2 SER N N 117.629 0.02 . 16 170 3 GLN H H 8.454 0.00 . 17 170 3 GLN HA H 4.324 0.00 . 18 170 3 GLN HB2 H 2.112 0.00 . 19 170 3 GLN HB3 H 1.980 0.00 . 20 170 3 GLN HG2 H 2.355 0.01 . 21 170 3 GLN CA C 56.018 0.04 . 22 170 3 GLN CB C 29.375 0.04 . 23 170 3 GLN CG C 33.876 0.02 . 24 170 3 GLN N N 122.127 0.06 . 25 171 4 LEU H H 8.154 0.00 . 26 171 4 LEU HA H 4.315 0.00 . 27 171 4 LEU HB2 H 1.609 0.00 . 28 171 4 LEU HB3 H 1.521 0.01 . 29 171 4 LEU HG H 1.574 0.01 . 30 171 4 LEU HD1 H 0.834 0.01 . 31 171 4 LEU HD2 H 0.879 0.00 . 32 171 4 LEU C C 177.091 0.00 . 33 171 4 LEU CA C 55.450 0.03 . 34 171 4 LEU CB C 42.454 0.03 . 35 171 4 LEU CG C 27.021 0.08 . 36 171 4 LEU CD1 C 23.753 0.05 . 37 171 4 LEU CD2 C 24.998 0.07 . 38 171 4 LEU N N 122.872 0.05 . 39 172 5 ARG H H 8.321 0.00 . 40 172 5 ARG HA H 4.363 0.01 . 41 172 5 ARG HB2 H 1.820 0.01 . 42 172 5 ARG HB3 H 1.760 0.01 . 43 172 5 ARG HG2 H 1.560 0.01 . 44 172 5 ARG HG3 H 1.613 0.01 . 45 172 5 ARG HD2 H 3.203 0.00 . 46 172 5 ARG HD3 H 3.166 0.00 . 47 172 5 ARG CA C 55.973 0.07 . 48 172 5 ARG CB C 30.729 0.06 . 49 172 5 ARG CG C 27.242 0.05 . 50 172 5 ARG CD C 43.357 0.03 . 51 172 5 ARG N N 122.363 0.02 . 52 173 6 ILE H H 8.152 0.00 . 53 173 6 ILE HA H 4.107 0.01 . 54 173 6 ILE HB H 1.817 0.01 . 55 173 6 ILE HG12 H 1.125 0.00 . 56 173 6 ILE HG13 H 1.447 0.01 . 57 173 6 ILE HG2 H 0.866 0.01 . 58 173 6 ILE HD1 H 0.825 0.01 . 59 173 6 ILE C C 175.996 0.00 . 60 173 6 ILE CA C 61.218 0.07 . 61 173 6 ILE CB C 38.724 0.04 . 62 173 6 ILE CG1 C 27.428 0.04 . 63 173 6 ILE CG2 C 17.597 0.07 . 64 173 6 ILE CD1 C 12.984 0.05 . 65 173 6 ILE N N 122.341 0.02 . 66 174 7 ALA H H 8.369 0.00 . 67 174 7 ALA HA H 4.262 0.00 . 68 174 7 ALA HB H 1.322 0.00 . 69 174 7 ALA C C 177.069 0.00 . 70 174 7 ALA CA C 52.461 0.04 . 71 174 7 ALA CB C 19.334 0.04 . 72 174 7 ALA N N 128.004 0.03 . 73 175 8 ALA H H 8.096 0.00 . 74 175 8 ALA HA H 4.257 0.00 . 75 175 8 ALA HB H 1.274 0.01 . 76 175 8 ALA C C 177.153 0.00 . 77 175 8 ALA CA C 52.487 0.06 . 78 175 8 ALA CB C 19.400 0.03 . 79 175 8 ALA N N 122.674 0.01 . 80 176 9 TYR H H 8.041 0.01 . 81 176 9 TYR HA H 4.631 0.01 . 82 176 9 TYR HB2 H 3.079 0.01 . 83 176 9 TYR HB3 H 2.923 0.00 . 84 176 9 TYR HD1 H 7.095 0.00 . 85 176 9 TYR HD2 H 7.097 0.00 . 86 176 9 TYR HE1 H 6.776 0.00 . 87 176 9 TYR HE2 H 6.778 0.00 . 88 176 9 TYR C C 175.947 0.00 . 89 176 9 TYR CA C 57.467 0.06 . 90 176 9 TYR CB C 39.138 0.04 . 91 176 9 TYR CD1 C 133.209 0.00 . 92 176 9 TYR CD2 C 133.261 0.00 . 93 176 9 TYR CE1 C 118.194 0.00 . 94 176 9 TYR CE2 C 118.188 0.00 . 95 176 9 TYR N N 118.602 0.02 . 96 177 10 GLY H H 8.118 0.00 . 97 177 10 GLY HA2 H 4.038 0.00 . 98 177 10 GLY CA C 44.743 0.02 . 99 177 10 GLY N N 109.983 0.02 . 100 178 11 PRO HA H 4.359 0.01 . 101 178 11 PRO HB2 H 2.180 0.01 . 102 178 11 PRO HB3 H 1.763 0.00 . 103 178 11 PRO HG2 H 1.941 0.00 . 104 178 11 PRO HG3 H 1.819 0.01 . 105 178 11 PRO HD3 H 3.523 0.02 . 106 178 11 PRO C C 177.104 0.00 . 107 178 11 PRO CA C 63.432 0.04 . 108 178 11 PRO CB C 32.028 0.05 . 109 178 11 PRO CG C 27.052 0.03 . 110 178 11 PRO CD C 49.791 0.03 . 111 179 12 HIS H H 8.436 0.00 . 112 179 12 HIS HA H 4.629 0.01 . 113 179 12 HIS HB2 H 3.151 0.01 . 114 179 12 HIS HB3 H 3.070 0.00 . 115 179 12 HIS CA C 56.352 0.04 . 116 179 12 HIS CB C 30.519 0.08 . 117 179 12 HIS N N 119.106 0.06 . 118 180 13 GLY HA2 H 3.984 0.00 . 119 180 13 GLY HA3 H 3.983 0.00 . 120 180 13 GLY CA C 45.305 0.03 . 121 181 14 SER HA H 4.443 0.00 . 122 181 14 SER HB2 H 3.898 0.00 . 123 181 14 SER CA C 58.558 0.01 . 124 181 14 SER CB C 63.921 0.00 . 125 188 21 GLY HA3 H 3.957 0.00 . 126 188 21 GLY CA C 45.460 0.00 . 127 189 22 GLY HA2 H 4.019 0.00 . 128 189 22 GLY CA C 45.458 0.00 . 129 190 23 SER HA H 4.492 0.00 . 130 190 23 SER HB2 H 3.851 0.00 . 131 190 23 SER HB3 H 3.982 0.01 . 132 190 23 SER C C 174.944 0.00 . 133 190 23 SER CA C 58.440 0.07 . 134 190 23 SER CB C 63.856 0.11 . 135 191 24 GLN H H 8.708 0.00 . 136 191 24 GLN HA H 4.637 0.01 . 137 191 24 GLN HG2 H 2.353 0.01 . 138 191 24 GLN HG3 H 2.432 0.01 . 139 191 24 GLN CA C 56.312 0.04 . 140 191 24 GLN CB C 29.416 0.02 . 141 191 24 GLN CG C 34.698 0.03 . 142 191 24 GLN N N 120.776 0.04 . 143 192 25 ASP HA H 5.453 0.00 . 144 192 25 ASP CA C 54.256 0.02 . 145 193 26 LEU HA H 4.903 0.00 . 146 193 26 LEU HB2 H 1.449 0.01 . 147 193 26 LEU HB3 H 1.208 0.01 . 148 193 26 LEU HG H 1.329 0.01 . 149 193 26 LEU HD1 H 0.732 0.01 . 150 193 26 LEU HD2 H 0.566 0.01 . 151 193 26 LEU CA C 53.406 0.07 . 152 193 26 LEU CB C 46.776 0.06 . 153 193 26 LEU CG C 27.018 0.02 . 154 193 26 LEU CD1 C 24.856 0.11 . 155 193 26 LEU CD2 C 24.464 0.01 . 156 194 27 TYR HA H 5.479 0.01 . 157 194 27 TYR HB2 H 2.995 0.01 . 158 194 27 TYR HB3 H 2.837 0.01 . 159 194 27 TYR HD2 H 7.093 0.01 . 160 194 27 TYR HE1 H 6.446 0.00 . 161 194 27 TYR C C 174.627 0.00 . 162 194 27 TYR CA C 57.002 0.02 . 163 194 27 TYR CB C 40.680 0.01 . 164 194 27 TYR CD2 C 133.223 0.00 . 165 194 27 TYR CE1 C 117.588 0.00 . 166 195 28 ALA H H 8.944 0.00 . 167 195 28 ALA HA H 4.907 0.00 . 168 195 28 ALA HB H 1.493 0.01 . 169 195 28 ALA CA C 51.086 0.02 . 170 195 28 ALA CB C 22.894 0.05 . 171 195 28 ALA N N 124.862 0.02 . 172 196 29 THR HA H 4.996 0.01 . 173 196 29 THR HB H 4.031 0.00 . 174 196 29 THR HG2 H 1.203 0.00 . 175 196 29 THR C C 172.995 0.00 . 176 196 29 THR CA C 62.015 0.05 . 177 196 29 THR CB C 70.953 0.03 . 178 196 29 THR CG2 C 22.392 0.05 . 179 197 30 LEU H H 8.730 0.00 . 180 197 30 LEU HA H 4.666 0.01 . 181 197 30 LEU HB2 H 1.556 0.01 . 182 197 30 LEU HB3 H 1.197 0.01 . 183 197 30 LEU HG H 1.288 0.01 . 184 197 30 LEU HD1 H 0.578 0.01 . 185 197 30 LEU HD2 H 0.911 0.01 . 186 197 30 LEU C C 173.581 0.00 . 187 197 30 LEU CA C 53.140 0.07 . 188 197 30 LEU CB C 47.188 0.06 . 189 197 30 LEU CG C 26.704 0.06 . 190 197 30 LEU CD1 C 26.483 0.03 . 191 197 30 LEU CD2 C 23.598 0.08 . 192 197 30 LEU N N 126.594 0.02 . 193 198 31 ASP H H 8.623 0.00 . 194 198 31 ASP HA H 5.180 0.00 . 195 198 31 ASP HB2 H 2.577 0.00 . 196 198 31 ASP C C 175.756 0.00 . 197 198 31 ASP CA C 54.178 0.04 . 198 198 31 ASP CB C 40.736 0.05 . 199 198 31 ASP N N 129.680 0.02 . 200 199 32 VAL H H 9.253 0.00 . 201 199 32 VAL HA H 4.505 0.01 . 202 199 32 VAL HB H 1.921 0.01 . 203 199 32 VAL HG1 H 0.809 0.01 . 204 199 32 VAL HG2 H 0.864 0.01 . 205 199 32 VAL CA C 58.670 0.03 . 206 199 32 VAL CB C 34.978 0.03 . 207 199 32 VAL CG1 C 21.799 0.07 . 208 199 32 VAL CG2 C 23.076 0.04 . 209 199 32 VAL N N 124.886 0.03 . 210 200 33 PRO HA H 4.667 0.01 . 211 200 33 PRO HB2 H 1.773 0.01 . 212 200 33 PRO HB3 H 2.482 0.01 . 213 200 33 PRO HG3 H 1.530 0.00 . 214 200 33 PRO HD2 H 3.926 0.01 . 215 200 33 PRO HD3 H 3.387 0.01 . 216 200 33 PRO C C 178.557 0.00 . 217 200 33 PRO CA C 62.454 0.03 . 218 200 33 PRO CB C 33.244 0.05 . 219 200 33 PRO CG C 28.082 0.08 . 220 200 33 PRO CD C 51.243 0.03 . 221 201 34 ALA H H 9.025 0.00 . 222 201 34 ALA HA H 4.179 0.01 . 223 201 34 ALA HB H 1.467 0.01 . 224 201 34 ALA CA C 57.119 0.03 . 225 201 34 ALA CB C 16.129 0.03 . 226 201 34 ALA N N 127.321 0.03 . 227 202 35 PRO HA H 4.352 0.00 . 228 202 35 PRO HB2 H 1.832 0.01 . 229 202 35 PRO HB3 H 2.378 0.00 . 230 202 35 PRO HG3 H 2.028 0.01 . 231 202 35 PRO HD2 H 3.878 0.01 . 232 202 35 PRO HD3 H 3.553 0.01 . 233 202 35 PRO C C 179.882 0.00 . 234 202 35 PRO CA C 66.204 0.02 . 235 202 35 PRO CB C 31.465 0.05 . 236 202 35 PRO CG C 27.291 0.00 . 237 202 35 PRO CD C 50.386 0.04 . 238 203 36 ILE H H 7.147 0.00 . 239 203 36 ILE HA H 3.614 0.01 . 240 203 36 ILE HB H 1.861 0.01 . 241 203 36 ILE HG12 H 1.217 0.01 . 242 203 36 ILE HG13 H 1.564 0.00 . 243 203 36 ILE HG2 H 0.518 0.00 . 244 203 36 ILE HD1 H 0.810 0.01 . 245 203 36 ILE C C 176.741 0.00 . 246 203 36 ILE CA C 62.660 0.02 . 247 203 36 ILE CB C 36.664 0.04 . 248 203 36 ILE CG1 C 28.479 0.07 . 249 203 36 ILE CG2 C 16.179 0.01 . 250 203 36 ILE CD1 C 11.803 0.06 . 251 203 36 ILE N N 116.552 0.02 . 252 204 37 ALA H H 7.556 0.00 . 253 204 37 ALA HA H 3.779 0.00 . 254 204 37 ALA HB H 1.388 0.01 . 255 204 37 ALA C C 177.758 0.00 . 256 204 37 ALA CA C 54.988 0.02 . 257 204 37 ALA CB C 17.373 0.03 . 258 204 37 ALA N N 121.833 0.02 . 259 205 38 VAL H H 7.321 0.00 . 260 205 38 VAL HA H 3.756 0.01 . 261 205 38 VAL HB H 2.109 0.01 . 262 205 38 VAL HG1 H 1.084 0.01 . 263 205 38 VAL HG2 H 0.964 0.01 . 264 205 38 VAL C C 179.412 0.00 . 265 205 38 VAL CA C 67.043 0.03 . 266 205 38 VAL CB C 32.329 0.05 . 267 205 38 VAL CG1 C 22.366 0.05 . 268 205 38 VAL CG2 C 21.294 0.04 . 269 205 38 VAL N N 111.994 0.03 . 270 206 39 VAL H H 7.196 0.00 . 271 206 39 VAL HA H 4.238 0.00 . 272 206 39 VAL HB H 2.322 0.01 . 273 206 39 VAL HG1 H 1.167 0.00 . 274 206 39 VAL HG2 H 1.087 0.01 . 275 206 39 VAL C C 177.412 0.00 . 276 206 39 VAL CA C 63.178 0.06 . 277 206 39 VAL CB C 33.276 0.04 . 278 206 39 VAL CG1 C 19.710 0.05 . 279 206 39 VAL CG2 C 21.994 0.04 . 280 206 39 VAL N N 113.320 0.02 . 281 207 40 GLY H H 8.435 0.00 . 282 207 40 GLY HA2 H 4.091 0.01 . 283 207 40 GLY HA3 H 3.692 0.01 . 284 207 40 GLY C C 172.502 0.00 . 285 207 40 GLY CA C 43.781 0.04 . 286 207 40 GLY N N 113.715 0.02 . 287 208 41 GLY H H 8.175 0.01 . 288 208 41 GLY HA2 H 3.910 0.00 . 289 208 41 GLY C C 171.292 0.00 . 290 208 41 GLY CA C 45.576 0.00 . 291 208 41 GLY N N 104.899 0.03 . 292 209 42 LYS H H 8.434 0.00 . 293 209 42 LYS HA H 5.305 0.00 . 294 209 42 LYS HB2 H 1.638 0.00 . 295 209 42 LYS HB3 H 1.512 0.00 . 296 209 42 LYS HG2 H 1.440 0.00 . 297 209 42 LYS HG3 H 1.387 0.01 . 298 209 42 LYS HD2 H 1.548 0.01 . 299 209 42 LYS HD3 H 1.484 0.01 . 300 209 42 LYS HE2 H 3.001 0.01 . 301 209 42 LYS HE3 H 2.874 0.00 . 302 209 42 LYS C C 176.076 0.00 . 303 209 42 LYS CA C 55.136 0.04 . 304 209 42 LYS CB C 35.059 0.04 . 305 209 42 LYS CG C 24.971 0.04 . 306 209 42 LYS CD C 29.267 0.03 . 307 209 42 LYS CE C 42.114 0.02 . 308 209 42 LYS N N 120.854 0.02 . 309 210 43 VAL H H 8.700 0.00 . 310 210 43 VAL HA H 4.509 0.01 . 311 210 43 VAL HB H 2.090 0.00 . 312 210 43 VAL HG1 H 0.835 0.01 . 313 210 43 VAL HG2 H 1.022 0.01 . 314 210 43 VAL C C 173.962 0.00 . 315 210 43 VAL CA C 59.815 0.04 . 316 210 43 VAL CB C 35.730 0.05 . 317 210 43 VAL CG1 C 20.871 0.04 . 318 210 43 VAL CG2 C 22.196 0.04 . 319 210 43 VAL N N 117.687 0.02 . 320 211 44 ARG H H 8.525 0.00 . 321 211 44 ARG HB2 H 1.739 0.01 . 322 211 44 ARG HB3 H 1.666 0.01 . 323 211 44 ARG HG2 H 1.418 0.01 . 324 211 44 ARG HD2 H 3.127 0.00 . 325 211 44 ARG C C 174.967 0.00 . 326 211 44 ARG CA C 55.903 0.08 . 327 211 44 ARG CB C 31.476 0.06 . 328 211 44 ARG CG C 27.787 0.03 . 329 211 44 ARG CD C 43.653 0.02 . 330 211 44 ARG N N 123.535 0.03 . 331 212 45 ALA H H 9.037 0.00 . 332 212 45 ALA HA H 4.651 0.01 . 333 212 45 ALA HB H 1.157 0.01 . 334 212 45 ALA CA C 50.213 0.06 . 335 212 45 ALA CB C 22.375 0.03 . 336 212 45 ALA N N 127.323 0.03 . 337 213 46 MET H H 8.532 0.01 . 338 213 46 MET HG3 H 2.065 0.00 . 339 213 46 MET CE C 16.939 0.01 . 340 213 46 MET N N 120.391 0.04 . 341 214 47 THR HA H 4.560 0.00 . 342 214 47 THR HB H 4.663 0.01 . 343 214 47 THR HG2 H 0.963 0.01 . 344 214 47 THR C C 175.910 0.00 . 345 214 47 THR CA C 59.913 0.05 . 346 214 47 THR CB C 72.159 0.04 . 347 214 47 THR CG2 C 21.575 0.08 . 348 215 48 LEU H H 9.050 0.00 . 349 215 48 LEU HA H 4.095 0.00 . 350 215 48 LEU HB2 H 1.618 0.01 . 351 215 48 LEU HB3 H 1.814 0.01 . 352 215 48 LEU HG H 1.731 0.01 . 353 215 48 LEU HD1 H 0.870 0.01 . 354 215 48 LEU HD2 H 0.905 0.01 . 355 215 48 LEU C C 177.988 0.00 . 356 215 48 LEU CA C 57.884 0.03 . 357 215 48 LEU CB C 41.536 0.03 . 358 215 48 LEU CG C 27.327 0.07 . 359 215 48 LEU CD1 C 25.290 0.03 . 360 215 48 LEU CD2 C 23.368 0.03 . 361 215 48 LEU N N 121.052 0.06 . 362 216 49 GLU H H 7.813 0.00 . 363 216 49 GLU HA H 4.394 0.00 . 364 216 49 GLU HB2 H 2.180 0.01 . 365 216 49 GLU HG2 H 2.261 0.00 . 366 216 49 GLU HG3 H 2.082 0.00 . 367 216 49 GLU C C 175.544 0.00 . 368 216 49 GLU CA C 56.231 0.04 . 369 216 49 GLU CB C 30.012 0.04 . 370 216 49 GLU CG C 37.147 0.03 . 371 216 49 GLU N N 115.227 0.02 . 372 217 50 GLY H H 7.344 0.01 . 373 217 50 GLY N N 108.115 0.05 . 374 218 51 PRO HA H 5.194 0.00 . 375 218 51 PRO HB2 H 2.114 0.01 . 376 218 51 PRO HB3 H 1.812 0.01 . 377 218 51 PRO HG2 H 2.013 0.00 . 378 218 51 PRO HG3 H 2.037 0.00 . 379 218 51 PRO C C 177.255 0.00 . 380 218 51 PRO CA C 62.926 0.03 . 381 218 51 PRO CB C 32.320 0.04 . 382 218 51 PRO CG C 27.354 0.05 . 383 218 51 PRO CD C 49.869 0.00 . 384 219 52 VAL H H 9.011 0.00 . 385 219 52 VAL HA H 4.456 0.00 . 386 219 52 VAL HB H 1.933 0.01 . 387 219 52 VAL HG1 H 0.728 0.01 . 388 219 52 VAL HG2 H 0.777 0.01 . 389 219 52 VAL C C 174.060 0.00 . 390 219 52 VAL CA C 59.985 0.04 . 391 219 52 VAL CB C 35.957 0.05 . 392 219 52 VAL CG1 C 20.458 0.04 . 393 219 52 VAL CG2 C 21.498 0.07 . 394 219 52 VAL N N 119.487 0.02 . 395 220 53 GLU H H 8.479 0.00 . 396 220 53 GLU HA H 4.684 0.01 . 397 220 53 GLU HB2 H 1.899 0.01 . 398 220 53 GLU HB3 H 1.748 0.01 . 399 220 53 GLU HG2 H 2.171 0.01 . 400 220 53 GLU HG3 H 1.940 0.01 . 401 220 53 GLU C C 175.487 0.00 . 402 220 53 GLU CA C 55.981 0.05 . 403 220 53 GLU CB C 31.108 0.08 . 404 220 53 GLU CG C 37.294 0.02 . 405 220 53 GLU N N 123.123 0.02 . 406 221 54 VAL H H 9.151 0.00 . 407 221 54 VAL HA H 4.139 0.01 . 408 221 54 VAL HB H 1.859 0.01 . 409 221 54 VAL HG1 H 0.739 0.01 . 410 221 54 VAL HG2 H 0.701 0.01 . 411 221 54 VAL C C 174.011 0.00 . 412 221 54 VAL CA C 60.898 0.06 . 413 221 54 VAL CB C 34.266 0.03 . 414 221 54 VAL CG1 C 21.798 0.07 . 415 221 54 VAL CG2 C 21.336 0.01 . 416 221 54 VAL N N 125.506 0.02 . 417 222 55 ALA H H 8.438 0.00 . 418 222 55 ALA HA H 4.516 0.00 . 419 222 55 ALA HB H 1.270 0.01 . 420 222 55 ALA C C 175.804 0.00 . 421 222 55 ALA CA C 51.388 0.02 . 422 222 55 ALA CB C 18.470 0.03 . 423 222 55 ALA N N 128.394 0.02 . 424 223 56 VAL H H 8.950 0.00 . 425 223 56 VAL HA H 4.257 0.00 . 426 223 56 VAL HB H 1.985 0.01 . 427 223 56 VAL HG1 H 0.923 0.00 . 428 223 56 VAL CA C 59.396 0.03 . 429 223 56 VAL CB C 32.765 0.04 . 430 223 56 VAL CG1 C 21.152 0.04 . 431 223 56 VAL CG2 C 21.319 0.06 . 432 223 56 VAL N N 125.924 0.02 . 433 224 57 PRO HA H 4.368 0.00 . 434 224 57 PRO HB2 H 2.424 0.01 . 435 224 57 PRO HB3 H 1.763 0.01 . 436 224 57 PRO HG2 H 1.941 0.00 . 437 224 57 PRO HG3 H 1.944 0.00 . 438 224 57 PRO HD2 H 3.612 0.00 . 439 224 57 PRO HD3 H 4.060 0.00 . 440 224 57 PRO CA C 63.489 0.02 . 441 224 57 PRO CB C 30.732 0.06 . 442 224 57 PRO CG C 27.084 0.05 . 443 224 57 PRO CD C 51.130 0.07 . 444 225 58 PRO HA H 3.999 0.01 . 445 225 58 PRO HB2 H 2.234 0.01 . 446 225 58 PRO HB3 H 1.789 0.02 . 447 225 58 PRO HD2 H 3.857 0.01 . 448 225 58 PRO HD3 H 3.550 0.01 . 449 225 58 PRO C C 175.733 0.00 . 450 225 58 PRO CA C 63.115 0.03 . 451 225 58 PRO CB C 32.204 0.06 . 452 225 58 PRO CG C 27.393 0.04 . 453 225 58 PRO CD C 50.152 0.08 . 454 226 59 ARG H H 8.361 0.00 . 455 226 59 ARG HA H 3.906 0.01 . 456 226 59 ARG HB2 H 2.070 0.01 . 457 226 59 ARG HB3 H 1.924 0.00 . 458 226 59 ARG HG2 H 1.722 0.00 . 459 226 59 ARG HG3 H 1.624 0.00 . 460 226 59 ARG HD3 H 3.308 0.00 . 461 226 59 ARG C C 176.430 0.00 . 462 226 59 ARG CA C 56.755 0.04 . 463 226 59 ARG CB C 26.445 0.06 . 464 226 59 ARG CG C 27.770 0.09 . 465 226 59 ARG CD C 43.321 0.10 . 466 226 59 ARG N N 117.315 0.04 . 467 227 60 THR H H 8.537 0.00 . 468 227 60 THR HA H 3.955 0.01 . 469 227 60 THR HB H 3.935 0.01 . 470 227 60 THR HG2 H 1.119 0.00 . 471 227 60 THR C C 173.168 0.00 . 472 227 60 THR CA C 66.044 0.04 . 473 227 60 THR CB C 69.258 0.02 . 474 227 60 THR CG2 C 23.379 0.03 . 475 227 60 THR N N 120.127 0.04 . 476 228 61 GLN H H 8.189 0.00 . 477 228 61 GLN HA H 4.467 0.00 . 478 228 61 GLN HB2 H 2.179 0.00 . 479 228 61 GLN HB3 H 1.884 0.01 . 480 228 61 GLN HG3 H 2.382 0.00 . 481 228 61 GLN C C 174.801 0.00 . 482 228 61 GLN CA C 53.458 0.03 . 483 228 61 GLN CB C 31.506 0.05 . 484 228 61 GLN CG C 33.988 0.05 . 485 228 61 GLN N N 125.395 0.02 . 486 229 62 ALA H H 8.544 0.01 . 487 229 62 ALA HA H 3.856 0.00 . 488 229 62 ALA HB H 1.472 0.01 . 489 229 62 ALA C C 178.847 0.00 . 490 229 62 ALA CA C 53.617 0.03 . 491 229 62 ALA CB C 18.563 0.02 . 492 229 62 ALA N N 121.946 0.04 . 493 230 63 GLY H H 9.129 0.01 . 494 230 63 GLY HA2 H 4.411 0.01 . 495 230 63 GLY HA3 H 3.648 0.00 . 496 230 63 GLY C C 174.294 0.00 . 497 230 63 GLY CA C 44.992 0.03 . 498 230 63 GLY N N 111.197 0.02 . 499 231 64 ARG H H 7.616 0.00 . 500 231 64 ARG HA H 4.156 0.00 . 501 231 64 ARG HB2 H 1.724 0.01 . 502 231 64 ARG HB3 H 2.193 0.01 . 503 231 64 ARG HG3 H 1.584 0.01 . 504 231 64 ARG HD2 H 3.458 0.00 . 505 231 64 ARG C C 174.896 0.00 . 506 231 64 ARG CA C 56.820 0.03 . 507 231 64 ARG CB C 30.747 0.05 . 508 231 64 ARG CG C 27.727 0.06 . 509 231 64 ARG CD C 43.603 0.04 . 510 231 64 ARG N N 121.866 0.02 . 511 232 65 LYS H H 8.731 0.00 . 512 232 65 LYS HA H 5.358 0.00 . 513 232 65 LYS HB2 H 1.659 0.01 . 514 232 65 LYS HB3 H 1.963 0.01 . 515 232 65 LYS HG2 H 1.666 0.01 . 516 232 65 LYS HG3 H 1.411 0.01 . 517 232 65 LYS HD2 H 1.731 0.01 . 518 232 65 LYS HD3 H 1.689 0.01 . 519 232 65 LYS HE3 H 3.006 0.01 . 520 232 65 LYS C C 176.622 0.00 . 521 232 65 LYS CA C 54.871 0.03 . 522 232 65 LYS CB C 33.834 0.04 . 523 232 65 LYS CG C 25.688 0.07 . 524 232 65 LYS CD C 29.406 0.04 . 525 232 65 LYS CE C 42.103 0.05 . 526 232 65 LYS N N 124.127 0.02 . 527 233 66 LEU H H 9.357 0.00 . 528 233 66 LEU HA H 4.652 0.01 . 529 233 66 LEU HB2 H 1.649 0.01 . 530 233 66 LEU HB3 H 1.421 0.01 . 531 233 66 LEU HG H 1.629 0.00 . 532 233 66 LEU HD1 H 0.839 0.01 . 533 233 66 LEU HD2 H 0.756 0.01 . 534 233 66 LEU C C 174.891 0.00 . 535 233 66 LEU CA C 53.664 0.06 . 536 233 66 LEU CB C 42.535 0.06 . 537 233 66 LEU CG C 27.221 0.03 . 538 233 66 LEU CD1 C 22.929 0.04 . 539 233 66 LEU CD2 C 26.067 0.05 . 540 233 66 LEU N N 126.780 0.03 . 541 234 67 ARG H H 8.588 0.00 . 542 234 67 ARG HA H 4.427 0.01 . 543 234 67 ARG HB2 H 1.536 0.00 . 544 234 67 ARG HB3 H 1.756 0.02 . 545 234 67 ARG HG2 H 1.555 0.00 . 546 234 67 ARG HG3 H 1.630 0.01 . 547 234 67 ARG HD2 H 3.208 0.01 . 548 234 67 ARG HD3 H 3.036 0.01 . 549 234 67 ARG C C 175.137 0.00 . 550 234 67 ARG CA C 55.107 0.04 . 551 234 67 ARG CB C 32.743 0.03 . 552 234 67 ARG CG C 27.176 0.07 . 553 234 67 ARG CD C 43.633 0.07 . 554 234 67 ARG N N 123.490 0.03 . 555 235 68 LEU H H 9.473 0.00 . 556 235 68 LEU HA H 4.626 0.01 . 557 235 68 LEU HB2 H 1.351 0.01 . 558 235 68 LEU HB3 H 1.612 0.01 . 559 235 68 LEU HG H 1.532 0.01 . 560 235 68 LEU HD1 H 0.730 0.01 . 561 235 68 LEU HD2 H 0.785 0.01 . 562 235 68 LEU C C 176.320 0.00 . 563 235 68 LEU CA C 53.815 0.04 . 564 235 68 LEU CB C 41.256 0.06 . 565 235 68 LEU CG C 27.949 0.09 . 566 235 68 LEU CD1 C 25.073 0.03 . 567 235 68 LEU CD2 C 24.565 0.07 . 568 235 68 LEU N N 130.752 0.03 . 569 236 69 LYS H H 8.586 0.01 . 570 236 69 LYS HA H 4.052 0.01 . 571 236 69 LYS HB2 H 1.675 0.01 . 572 236 69 LYS HB3 H 1.689 0.01 . 573 236 69 LYS HG2 H 1.439 0.01 . 574 236 69 LYS HG3 H 1.237 0.00 . 575 236 69 LYS HD2 H 1.633 0.01 . 576 236 69 LYS HE2 H 2.953 0.00 . 577 236 69 LYS C C 178.810 0.00 . 578 236 69 LYS CA C 56.734 0.06 . 579 236 69 LYS CB C 32.237 0.05 . 580 236 69 LYS CG C 24.894 0.03 . 581 236 69 LYS CD C 29.117 0.05 . 582 236 69 LYS CE C 41.834 0.04 . 583 236 69 LYS N N 126.784 0.03 . 584 237 70 GLY H H 9.335 0.00 . 585 237 70 GLY HA2 H 3.916 0.01 . 586 237 70 GLY HA3 H 3.746 0.01 . 587 237 70 GLY C C 174.646 0.00 . 588 237 70 GLY CA C 46.956 0.06 . 589 237 70 GLY N N 113.009 0.02 . 590 238 71 LYS H H 6.533 0.00 . 591 238 71 LYS HA H 4.690 0.01 . 592 238 71 LYS HB2 H 1.497 0.01 . 593 238 71 LYS HB3 H 2.205 0.01 . 594 238 71 LYS HG3 H 1.242 0.01 . 595 238 71 LYS HE3 H 2.913 0.01 . 596 238 71 LYS C C 175.697 0.00 . 597 238 71 LYS CA C 53.962 0.07 . 598 238 71 LYS CB C 32.093 0.04 . 599 238 71 LYS CG C 24.930 0.04 . 600 238 71 LYS CD C 28.098 0.00 . 601 238 71 LYS CE C 42.434 0.03 . 602 238 71 LYS N N 114.342 0.03 . 603 239 72 GLY H H 8.208 0.01 . 604 239 72 GLY HA2 H 4.096 0.01 . 605 239 72 GLY CA C 43.504 0.11 . 606 239 72 GLY N N 107.977 0.05 . 607 240 73 PHE HA H 4.296 0.00 . 608 240 73 PHE HD2 H 7.222 0.00 . 609 240 73 PHE HE2 H 7.342 0.00 . 610 240 73 PHE CA C 56.474 0.00 . 611 240 73 PHE CD2 C 131.001 0.00 . 612 240 73 PHE CE2 C 131.846 0.00 . 613 241 74 PRO HA H 4.573 0.00 . 614 241 74 PRO HB2 H 1.981 0.01 . 615 241 74 PRO HB3 H 2.204 0.01 . 616 241 74 PRO HD2 H 3.816 0.01 . 617 241 74 PRO C C 175.286 0.00 . 618 241 74 PRO CA C 63.337 0.05 . 619 241 74 PRO CB C 32.357 0.04 . 620 241 74 PRO CG C 27.357 0.04 . 621 241 74 PRO CD C 50.726 0.08 . 622 242 75 GLY H H 7.845 0.00 . 623 242 75 GLY HA2 H 4.378 0.01 . 624 242 75 GLY CA C 45.001 0.02 . 625 242 75 GLY N N 109.750 0.03 . 626 243 76 PRO HA H 4.319 0.00 . 627 243 76 PRO HB2 H 1.962 0.01 . 628 243 76 PRO HB3 H 2.360 0.00 . 629 243 76 PRO HG2 H 1.946 0.00 . 630 243 76 PRO HG3 H 2.042 0.01 . 631 243 76 PRO C C 177.423 0.00 . 632 243 76 PRO CA C 64.895 0.03 . 633 243 76 PRO CB C 32.033 0.07 . 634 243 76 PRO CG C 27.201 0.05 . 635 243 76 PRO CD C 51.081 0.00 . 636 244 77 ALA H H 8.600 0.01 . 637 244 77 ALA HA H 4.611 0.00 . 638 244 77 ALA HB H 1.341 0.00 . 639 244 77 ALA C C 176.681 0.00 . 640 244 77 ALA CA C 51.247 0.03 . 641 244 77 ALA CB C 18.980 0.03 . 642 244 77 ALA N N 120.010 0.02 . 643 245 78 GLY H H 7.532 0.00 . 644 245 78 GLY HA2 H 4.439 0.01 . 645 245 78 GLY HA3 H 3.787 0.01 . 646 245 78 GLY C C 173.274 0.00 . 647 245 78 GLY CA C 44.006 0.21 . 648 245 78 GLY N N 108.004 0.03 . 649 246 79 ARG H H 8.515 0.00 . 650 246 79 ARG HG2 H 1.613 0.02 . 651 246 79 ARG HD3 H 3.182 0.01 . 652 246 79 ARG C C 178.414 0.00 . 653 246 79 ARG CA C 56.054 0.00 . 654 246 79 ARG CG C 27.201 0.05 . 655 246 79 ARG CD C 43.380 0.00 . 656 246 79 ARG N N 120.183 0.05 . 657 247 80 GLY H H 8.132 0.01 . 658 247 80 GLY HA2 H 4.305 0.01 . 659 247 80 GLY HA3 H 3.805 0.01 . 660 247 80 GLY C C 172.579 0.00 . 661 247 80 GLY CA C 43.747 0.00 . 662 247 80 GLY N N 107.837 0.04 . 663 248 81 ASP H H 9.211 0.00 . 664 248 81 ASP HA H 4.923 0.00 . 665 248 81 ASP HB2 H 1.818 0.01 . 666 248 81 ASP HB3 H 2.286 0.01 . 667 248 81 ASP C C 173.063 0.00 . 668 248 81 ASP CA C 53.820 0.06 . 669 248 81 ASP CB C 44.015 0.07 . 670 248 81 ASP N N 119.336 0.03 . 671 249 82 LEU H H 7.662 0.00 . 672 249 82 LEU HA H 4.909 0.01 . 673 249 82 LEU HB2 H 1.666 0.01 . 674 249 82 LEU HB3 H 1.013 0.01 . 675 249 82 LEU HG H 1.218 0.01 . 676 249 82 LEU HD1 H 0.845 0.01 . 677 249 82 LEU HD2 H 0.745 0.01 . 678 249 82 LEU C C 173.673 0.00 . 679 249 82 LEU CA C 52.867 0.05 . 680 249 82 LEU CB C 45.797 0.03 . 681 249 82 LEU CG C 27.808 0.12 . 682 249 82 LEU CD1 C 26.434 0.06 . 683 249 82 LEU CD2 C 23.420 0.04 . 684 249 82 LEU N N 121.287 0.03 . 685 250 83 TYR H H 9.222 0.00 . 686 250 83 TYR HA H 4.959 0.01 . 687 250 83 TYR HB2 H 2.434 0.02 . 688 250 83 TYR HD2 H 6.591 0.00 . 689 250 83 TYR HE1 H 6.719 0.01 . 690 250 83 TYR C C 174.706 0.00 . 691 250 83 TYR CA C 57.085 0.05 . 692 250 83 TYR CB C 41.010 0.06 . 693 250 83 TYR CD2 C 132.856 0.00 . 694 250 83 TYR CE1 C 117.531 0.00 . 695 250 83 TYR N N 125.785 0.04 . 696 251 84 LEU H H 9.039 0.00 . 697 251 84 LEU HA H 5.053 0.01 . 698 251 84 LEU HB2 H 1.715 0.01 . 699 251 84 LEU HB3 H 1.188 0.01 . 700 251 84 LEU HD1 H 0.758 0.01 . 701 251 84 LEU HD2 H 0.756 0.01 . 702 251 84 LEU C C 175.465 0.00 . 703 251 84 LEU CA C 51.936 0.06 . 704 251 84 LEU CB C 43.881 0.04 . 705 251 84 LEU CG C 27.344 0.04 . 706 251 84 LEU CD1 C 24.376 0.05 . 707 251 84 LEU CD2 C 27.400 0.03 . 708 251 84 LEU N N 122.516 0.02 . 709 252 85 GLU H H 9.013 0.01 . 710 252 85 GLU HA H 4.796 0.01 . 711 252 85 GLU HB2 H 2.004 0.01 . 712 252 85 GLU HB3 H 1.972 0.01 . 713 252 85 GLU HG3 H 2.068 0.01 . 714 252 85 GLU C C 176.033 0.00 . 715 252 85 GLU CA C 55.086 0.08 . 716 252 85 GLU CB C 31.318 0.06 . 717 252 85 GLU CG C 37.047 0.08 . 718 252 85 GLU N N 124.568 0.05 . 719 253 86 VAL H H 8.988 0.00 . 720 253 86 VAL HA H 4.274 0.01 . 721 253 86 VAL HB H 2.132 0.01 . 722 253 86 VAL HG1 H 0.702 0.01 . 723 253 86 VAL HG2 H 0.985 0.01 . 724 253 86 VAL C C 176.187 0.00 . 725 253 86 VAL CA C 64.750 0.03 . 726 253 86 VAL CB C 32.390 0.06 . 727 253 86 VAL CG1 C 21.306 0.07 . 728 253 86 VAL CG2 C 22.364 0.03 . 729 253 86 VAL N N 128.229 0.04 . 730 254 87 ARG H H 9.374 0.00 . 731 254 87 ARG HA H 4.560 0.01 . 732 254 87 ARG HB2 H 1.730 0.01 . 733 254 87 ARG HB3 H 1.928 0.00 . 734 254 87 ARG HG2 H 1.416 0.01 . 735 254 87 ARG HG3 H 1.578 0.01 . 736 254 87 ARG HD2 H 3.175 0.01 . 737 254 87 ARG C C 173.898 0.00 . 738 254 87 ARG CA C 55.105 0.04 . 739 254 87 ARG CB C 32.466 0.06 . 740 254 87 ARG CG C 27.098 0.07 . 741 254 87 ARG CD C 43.648 0.05 . 742 254 87 ARG N N 133.632 0.03 . 743 255 88 ILE H H 8.383 0.00 . 744 255 88 ILE HA H 5.032 0.01 . 745 255 88 ILE HB H 1.916 0.00 . 746 255 88 ILE HG12 H 1.150 0.01 . 747 255 88 ILE HG13 H 1.492 0.01 . 748 255 88 ILE HG2 H 0.997 0.00 . 749 255 88 ILE HD1 H 0.640 0.01 . 750 255 88 ILE C C 176.916 0.00 . 751 255 88 ILE CA C 59.204 0.03 . 752 255 88 ILE CB C 36.772 0.04 . 753 255 88 ILE CG1 C 27.521 0.04 . 754 255 88 ILE CG2 C 17.334 0.05 . 755 255 88 ILE CD1 C 11.161 0.01 . 756 255 88 ILE N N 126.043 0.02 . 757 256 89 THR H H 8.421 0.00 . 758 256 89 THR HA H 4.312 0.01 . 759 256 89 THR HB H 4.324 0.00 . 760 256 89 THR HG2 H 0.961 0.01 . 761 256 89 THR CA C 62.173 0.04 . 762 256 89 THR CB C 70.313 0.06 . 763 256 89 THR CG2 C 22.254 0.05 . 764 256 89 THR N N 126.988 0.04 . stop_ save_