data_30629 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _BMRB_accession_number 30629 _BMRB_flat_file_name bmr30629.str _Entry_type original _Submission_date 2019-07-09 _Accession_date 2019-07-09 _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" 385 "13C chemical shifts" 308 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-11 original BMRB . stop_ _Original_release_date 2019-09-06 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 9017.255 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; METATAGEWQGKGSGGSGGS GGSQDLYATLDVPAPIAVVG GKVRAMTLEGPVEVAVPPRT QAGRKLRLKGKGFPGPAGRG DLYLEVRIT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 168 MET 2 169 GLU 3 170 THR 4 171 ALA 5 172 THR 6 173 ALA 7 174 GLY 8 175 GLU 9 176 TRP 10 177 GLN 11 178 GLY 12 179 LYS 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) . $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-13C; U-15N] PhoA_235-245_DnaJ_191-256, 20 mM potassium phosphate, 75 mM potassium chloride, 0.04 % sodium azide, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 75 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 NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TopSpin _Version 4.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_7 _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_8 _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task processing 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-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CCH-NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-NOESY' _Sample_label $sample_1 save_ save_3D_CCH_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH_TOCSY' _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_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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-13C HSQC' '3D HNCO' '3D HBHA(CO)NH' '3D CCH-NOESY' '3D CCH_TOCSY' '3D H(CCO)NH' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-15N HSQC' 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 H H 8.458 0.00 . 2 168 1 MET C C 175.995 0.00 . 3 168 1 MET CA C 55.686 0.00 . 4 168 1 MET CB C 32.713 0.00 . 5 168 1 MET N N 122.097 0.00 . 6 169 2 GLU H H 8.538 0.00 . 7 169 2 GLU HA H 4.323 0.00 . 8 169 2 GLU HB2 H 2.053 0.00 . 9 169 2 GLU HB3 H 1.955 0.00 . 10 169 2 GLU HG3 H 2.267 0.00 . 11 169 2 GLU C C 176.653 0.00 . 12 169 2 GLU CA C 56.825 0.04 . 13 169 2 GLU CB C 30.201 0.04 . 14 169 2 GLU CG C 36.325 0.02 . 15 169 2 GLU N N 122.607 0.00 . 16 170 3 THR H H 8.201 0.00 . 17 170 3 THR HA H 4.318 0.00 . 18 170 3 THR HB H 4.207 0.00 . 19 170 3 THR HG2 H 1.189 0.00 . 20 170 3 THR C C 174.405 0.00 . 21 170 3 THR CA C 61.909 0.06 . 22 170 3 THR CB C 69.895 0.08 . 23 170 3 THR CG2 C 21.691 0.04 . 24 170 3 THR N N 115.318 0.02 . 25 171 4 ALA H H 8.398 0.00 . 26 171 4 ALA HA H 4.397 0.00 . 27 171 4 ALA HB H 1.392 0.00 . 28 171 4 ALA C C 177.882 0.00 . 29 171 4 ALA CA C 52.736 0.02 . 30 171 4 ALA CB C 19.303 0.04 . 31 171 4 ALA N N 126.648 0.01 . 32 172 5 THR H H 8.171 0.00 . 33 172 5 THR HA H 4.312 0.00 . 34 172 5 THR HB H 4.210 0.00 . 35 172 5 THR HG2 H 1.188 0.00 . 36 172 5 THR C C 174.280 0.00 . 37 172 5 THR CA C 61.925 0.01 . 38 172 5 THR CB C 69.865 0.04 . 39 172 5 THR CG2 C 21.654 0.05 . 40 172 5 THR N N 113.777 0.02 . 41 173 6 ALA H H 8.341 0.00 . 42 173 6 ALA HA H 4.346 0.00 . 43 173 6 ALA HB H 1.402 0.01 . 44 173 6 ALA C C 177.923 0.00 . 45 173 6 ALA CA C 52.712 0.06 . 46 173 6 ALA CB C 19.341 0.04 . 47 173 6 ALA N N 126.493 0.02 . 48 174 7 GLY H H 8.263 0.00 . 49 174 7 GLY HA2 H 3.795 0.00 . 50 174 7 GLY HA3 H 3.995 0.01 . 51 174 7 GLY C C 173.739 0.00 . 52 174 7 GLY CA C 45.277 0.00 . 53 174 7 GLY N N 107.656 0.02 . 54 175 8 GLU H H 8.232 0.00 . 55 175 8 GLU HA H 4.361 0.00 . 56 175 8 GLU HB2 H 1.972 0.00 . 57 175 8 GLU HB3 H 1.882 0.00 . 58 175 8 GLU HG2 H 2.126 0.00 . 59 175 8 GLU HG3 H 2.192 0.00 . 60 175 8 GLU CA C 56.412 0.07 . 61 175 8 GLU CB C 30.974 0.12 . 62 175 8 GLU CG C 36.100 0.06 . 63 175 8 GLU N N 120.614 0.03 . 64 176 9 TRP HA H 4.706 0.01 . 65 176 9 TRP HB2 H 3.224 0.01 . 66 176 9 TRP HB3 H 3.263 0.00 . 67 176 9 TRP HD1 H 7.278 0.00 . 68 176 9 TRP HE1 H 10.183 0.00 . 69 176 9 TRP HE3 H 7.558 0.00 . 70 176 9 TRP HZ2 H 7.442 0.01 . 71 176 9 TRP HZ3 H 7.022 0.00 . 72 176 9 TRP HH2 H 7.072 0.00 . 73 176 9 TRP CA C 57.668 0.00 . 74 176 9 TRP CB C 29.331 0.03 . 75 176 9 TRP CD1 C 127.410 0.00 . 76 176 9 TRP CE3 C 120.786 0.00 . 77 176 9 TRP CZ2 C 114.716 0.00 . 78 176 9 TRP CZ3 C 121.953 0.00 . 79 176 9 TRP CH2 C 124.244 0.00 . 80 176 9 TRP NE1 N 129.743 0.01 . 81 177 10 GLN HA H 4.298 0.00 . 82 177 10 GLN HB2 H 1.913 0.00 . 83 177 10 GLN HB3 H 2.082 0.00 . 84 177 10 GLN HG2 H 2.182 0.00 . 85 177 10 GLN HG3 H 2.210 0.00 . 86 177 10 GLN HE21 H 7.367 0.00 . 87 177 10 GLN HE22 H 6.939 0.00 . 88 177 10 GLN CA C 55.695 0.08 . 89 177 10 GLN CB C 29.761 0.00 . 90 177 10 GLN CG C 33.800 0.02 . 91 177 10 GLN NE2 N 112.409 0.01 . 92 179 12 LYS HA H 4.277 0.00 . 93 179 12 LYS HB2 H 1.716 0.00 . 94 179 12 LYS HB3 H 1.821 0.00 . 95 179 12 LYS HG3 H 1.382 0.00 . 96 179 12 LYS HD3 H 1.638 0.00 . 97 179 12 LYS HE3 H 2.952 0.00 . 98 179 12 LYS C C 177.331 0.00 . 99 179 12 LYS CA C 56.803 0.12 . 100 179 12 LYS CB C 32.991 0.03 . 101 179 12 LYS CG C 24.746 0.08 . 102 179 12 LYS CD C 29.116 0.04 . 103 179 12 LYS CE C 42.158 0.02 . 104 180 13 GLY H H 8.551 0.00 . 105 180 13 GLY N N 110.525 0.01 . 106 190 23 SER HA H 4.473 0.00 . 107 190 23 SER HB3 H 3.963 0.00 . 108 190 23 SER C C 175.026 0.00 . 109 191 24 GLN H H 8.712 0.00 . 110 191 24 GLN HA H 4.635 0.00 . 111 191 24 GLN HB2 H 2.059 0.00 . 112 191 24 GLN HB3 H 2.484 0.00 . 113 191 24 GLN HG2 H 2.333 0.00 . 114 191 24 GLN HG3 H 2.420 0.00 . 115 191 24 GLN HE21 H 7.402 0.00 . 116 191 24 GLN HE22 H 6.828 0.00 . 117 191 24 GLN CA C 56.245 0.05 . 118 191 24 GLN CB C 29.247 0.06 . 119 191 24 GLN CG C 34.711 0.28 . 120 191 24 GLN N N 120.419 0.01 . 121 191 24 GLN NE2 N 111.809 0.00 . 122 192 25 ASP H H 8.283 0.00 . 123 192 25 ASP CA C 54.527 0.00 . 124 192 25 ASP CB C 41.112 0.00 . 125 192 25 ASP N N 121.283 0.00 . 126 194 27 TYR HA H 5.479 0.00 . 127 194 27 TYR HB2 H 2.845 0.00 . 128 194 27 TYR HB3 H 3.014 0.00 . 129 194 27 TYR HD1 H 7.089 0.00 . 130 194 27 TYR HD2 H 7.087 0.00 . 131 194 27 TYR HE1 H 6.418 0.00 . 132 194 27 TYR HE2 H 6.425 0.00 . 133 194 27 TYR CA C 57.021 0.03 . 134 194 27 TYR CB C 40.612 0.07 . 135 194 27 TYR CD1 C 133.313 0.00 . 136 194 27 TYR CD2 C 133.209 0.00 . 137 194 27 TYR CE1 C 117.619 0.00 . 138 194 27 TYR CE2 C 117.581 0.00 . 139 195 28 ALA HA H 4.937 0.00 . 140 195 28 ALA HB H 1.548 0.00 . 141 195 28 ALA CA C 51.030 0.01 . 142 195 28 ALA CB C 22.932 0.06 . 143 196 29 THR HA H 4.977 0.00 . 144 196 29 THR HB H 4.045 0.00 . 145 196 29 THR HG2 H 1.208 0.00 . 146 196 29 THR C C 172.934 0.00 . 147 196 29 THR CA C 62.184 0.03 . 148 196 29 THR CB C 71.014 0.09 . 149 196 29 THR CG2 C 22.562 0.05 . 150 197 30 LEU H H 8.741 0.00 . 151 197 30 LEU HA H 4.668 0.00 . 152 197 30 LEU HB2 H 1.595 0.00 . 153 197 30 LEU HB3 H 1.190 0.00 . 154 197 30 LEU HG H 1.284 0.00 . 155 197 30 LEU HD1 H 0.608 0.00 . 156 197 30 LEU HD2 H 0.911 0.00 . 157 197 30 LEU C C 173.631 0.00 . 158 197 30 LEU CA C 53.109 0.06 . 159 197 30 LEU CB C 46.792 0.01 . 160 197 30 LEU CG C 26.792 0.00 . 161 197 30 LEU CD1 C 26.386 0.06 . 162 197 30 LEU CD2 C 23.762 0.06 . 163 197 30 LEU N N 126.919 0.01 . 164 198 31 ASP H H 8.661 0.00 . 165 198 31 ASP HA H 5.175 0.00 . 166 198 31 ASP HB2 H 2.514 0.00 . 167 198 31 ASP HB3 H 2.623 0.00 . 168 198 31 ASP C C 175.878 0.00 . 169 198 31 ASP CA C 54.325 0.05 . 170 198 31 ASP CB C 40.765 0.06 . 171 198 31 ASP N N 129.731 0.01 . 172 199 32 VAL H H 9.226 0.03 . 173 199 32 VAL HA H 4.505 0.01 . 174 199 32 VAL HB H 1.928 0.00 . 175 199 32 VAL HG1 H 0.888 0.00 . 176 199 32 VAL HG2 H 0.807 0.00 . 177 199 32 VAL CA C 58.621 0.08 . 178 199 32 VAL CB C 34.808 0.12 . 179 199 32 VAL CG1 C 23.067 0.05 . 180 199 32 VAL CG2 C 21.877 0.03 . 181 199 32 VAL N N 124.767 0.04 . 182 200 33 PRO HA H 4.670 0.00 . 183 200 33 PRO HB2 H 1.764 0.00 . 184 200 33 PRO HB3 H 2.477 0.00 . 185 200 33 PRO HG2 H 1.931 0.00 . 186 200 33 PRO HG3 H 2.142 0.00 . 187 200 33 PRO HD2 H 3.382 0.00 . 188 200 33 PRO HD3 H 3.934 0.00 . 189 200 33 PRO C C 178.600 0.00 . 190 200 33 PRO CA C 62.462 0.04 . 191 200 33 PRO CB C 33.198 0.02 . 192 200 33 PRO CG C 28.138 0.04 . 193 200 33 PRO CD C 51.273 0.04 . 194 201 34 ALA H H 9.027 0.00 . 195 201 34 ALA HA H 4.171 0.00 . 196 201 34 ALA HB H 1.457 0.00 . 197 201 34 ALA CA C 57.136 0.04 . 198 201 34 ALA CB C 16.067 0.04 . 199 201 34 ALA N N 127.316 0.01 . 200 202 35 PRO HA H 4.342 0.00 . 201 202 35 PRO HB2 H 1.807 0.00 . 202 202 35 PRO HB3 H 2.366 0.00 . 203 202 35 PRO HG2 H 1.978 0.00 . 204 202 35 PRO HG3 H 2.031 0.00 . 205 202 35 PRO HD2 H 3.542 0.00 . 206 202 35 PRO HD3 H 3.865 0.00 . 207 202 35 PRO C C 179.889 0.00 . 208 202 35 PRO CA C 66.224 0.06 . 209 202 35 PRO CB C 31.410 0.00 . 210 202 35 PRO CG C 28.464 0.04 . 211 202 35 PRO CD C 50.371 0.04 . 212 203 36 ILE H H 7.125 0.00 . 213 203 36 ILE HA H 3.592 0.00 . 214 203 36 ILE HB H 1.861 0.01 . 215 203 36 ILE HG12 H 1.209 0.00 . 216 203 36 ILE HG13 H 1.554 0.00 . 217 203 36 ILE HG2 H 0.503 0.00 . 218 203 36 ILE HD1 H 0.809 0.00 . 219 203 36 ILE C C 176.769 0.00 . 220 203 36 ILE CA C 62.625 0.02 . 221 203 36 ILE CB C 36.645 0.06 . 222 203 36 ILE CG1 C 28.496 0.06 . 223 203 36 ILE CG2 C 16.205 0.03 . 224 203 36 ILE CD1 C 11.791 0.00 . 225 203 36 ILE N N 116.596 0.01 . 226 204 37 ALA H H 7.574 0.00 . 227 204 37 ALA HA H 3.749 0.00 . 228 204 37 ALA HB H 1.373 0.00 . 229 204 37 ALA C C 177.806 0.00 . 230 204 37 ALA CA C 55.010 0.03 . 231 204 37 ALA CB C 17.305 0.03 . 232 204 37 ALA N N 121.806 0.03 . 233 205 38 VAL H H 7.293 0.00 . 234 205 38 VAL HA H 3.729 0.01 . 235 205 38 VAL HB H 2.092 0.00 . 236 205 38 VAL HG1 H 1.062 0.00 . 237 205 38 VAL HG2 H 0.944 0.00 . 238 205 38 VAL C C 179.376 0.00 . 239 205 38 VAL CA C 67.058 0.06 . 240 205 38 VAL CB C 32.324 0.05 . 241 205 38 VAL CG1 C 22.463 0.03 . 242 205 38 VAL CG2 C 21.405 0.12 . 243 205 38 VAL N N 111.911 0.01 . 244 206 39 VAL H H 7.203 0.00 . 245 206 39 VAL HA H 4.231 0.00 . 246 206 39 VAL HB H 2.312 0.00 . 247 206 39 VAL HG1 H 1.152 0.00 . 248 206 39 VAL HG2 H 1.068 0.00 . 249 206 39 VAL C C 177.386 0.00 . 250 206 39 VAL CA C 63.165 0.07 . 251 206 39 VAL CB C 33.323 0.05 . 252 206 39 VAL CG1 C 19.664 0.08 . 253 206 39 VAL CG2 C 21.919 0.05 . 254 206 39 VAL N N 113.173 0.02 . 255 207 40 GLY H H 8.425 0.00 . 256 207 40 GLY HA2 H 3.672 0.00 . 257 207 40 GLY HA3 H 4.077 0.00 . 258 207 40 GLY C C 172.498 0.00 . 259 207 40 GLY CA C 43.747 0.07 . 260 207 40 GLY N N 113.806 0.02 . 261 208 41 GLY H H 8.135 0.00 . 262 208 41 GLY HA2 H 3.897 0.00 . 263 208 41 GLY HA3 H 4.139 0.00 . 264 208 41 GLY C C 171.333 0.00 . 265 208 41 GLY CA C 45.473 0.05 . 266 208 41 GLY N N 104.871 0.00 . 267 209 42 LYS H H 8.437 0.00 . 268 209 42 LYS HA H 5.329 0.00 . 269 209 42 LYS HB2 H 1.529 0.00 . 270 209 42 LYS HB3 H 1.628 0.01 . 271 209 42 LYS HG2 H 1.202 0.00 . 272 209 42 LYS HG3 H 1.384 0.00 . 273 209 42 LYS HD2 H 1.477 0.00 . 274 209 42 LYS HD3 H 1.555 0.00 . 275 209 42 LYS HE2 H 2.870 0.00 . 276 209 42 LYS C C 176.090 0.00 . 277 209 42 LYS CA C 55.199 0.05 . 278 209 42 LYS CB C 35.064 0.01 . 279 209 42 LYS CG C 24.982 0.03 . 280 209 42 LYS CD C 29.231 0.06 . 281 209 42 LYS CE C 42.033 0.09 . 282 209 42 LYS N N 121.018 0.02 . 283 210 43 VAL H H 8.708 0.00 . 284 210 43 VAL HA H 4.532 0.03 . 285 210 43 VAL HB H 2.035 0.11 . 286 210 43 VAL HG1 H 1.028 0.00 . 287 210 43 VAL HG2 H 0.825 0.00 . 288 210 43 VAL C C 174.039 0.00 . 289 210 43 VAL CA C 59.730 0.16 . 290 210 43 VAL CB C 35.841 0.04 . 291 210 43 VAL CG1 C 22.238 0.08 . 292 210 43 VAL CG2 C 20.626 0.04 . 293 210 43 VAL N N 116.898 0.02 . 294 211 44 ARG H H 8.492 0.00 . 295 211 44 ARG HA H 4.831 0.00 . 296 211 44 ARG HB2 H 1.652 0.00 . 297 211 44 ARG HB3 H 1.732 0.00 . 298 211 44 ARG HG2 H 1.410 0.00 . 299 211 44 ARG HG3 H 1.574 0.00 . 300 211 44 ARG HD3 H 3.112 0.00 . 301 211 44 ARG C C 175.010 0.00 . 302 211 44 ARG CA C 56.003 0.00 . 303 211 44 ARG CB C 31.370 0.10 . 304 211 44 ARG CG C 27.670 0.00 . 305 211 44 ARG CD C 43.642 0.04 . 306 211 44 ARG N N 123.045 0.03 . 307 212 45 ALA H H 9.056 0.00 . 308 212 45 ALA HA H 4.631 0.00 . 309 212 45 ALA HB H 1.138 0.00 . 310 212 45 ALA C C 175.639 0.00 . 311 212 45 ALA CA C 50.124 0.04 . 312 212 45 ALA CB C 22.394 0.00 . 313 212 45 ALA N N 127.499 0.00 . 314 213 46 MET H H 8.484 0.00 . 315 213 46 MET HB3 H 1.765 0.00 . 316 213 46 MET HG3 H 2.477 0.00 . 317 213 46 MET HE H 2.008 0.00 . 318 213 46 MET CA C 53.862 0.10 . 319 213 46 MET CB C 31.467 0.02 . 320 213 46 MET CG C 32.222 0.00 . 321 213 46 MET CE C 16.328 0.02 . 322 213 46 MET N N 120.418 0.01 . 323 214 47 THR HB H 4.675 0.00 . 324 214 47 THR CA C 59.678 0.00 . 325 214 47 THR CB C 72.007 0.04 . 326 215 48 LEU HA H 4.078 0.00 . 327 215 48 LEU HB2 H 1.823 0.00 . 328 215 48 LEU HB3 H 1.624 0.00 . 329 215 48 LEU HD1 H 0.873 0.00 . 330 215 48 LEU HD2 H 0.896 0.01 . 331 215 48 LEU C C 177.989 0.00 . 332 215 48 LEU CA C 58.120 0.09 . 333 215 48 LEU CB C 41.302 0.06 . 334 215 48 LEU CG C 27.512 0.00 . 335 215 48 LEU CD1 C 25.133 0.03 . 336 215 48 LEU CD2 C 23.481 0.05 . 337 216 49 GLU H H 7.771 0.00 . 338 216 49 GLU HA H 4.365 0.01 . 339 216 49 GLU HB2 H 1.751 0.00 . 340 216 49 GLU HB3 H 2.159 0.00 . 341 216 49 GLU HG2 H 2.071 0.00 . 342 216 49 GLU HG3 H 2.303 0.00 . 343 216 49 GLU C C 175.561 0.00 . 344 216 49 GLU CA C 56.569 0.00 . 345 216 49 GLU CB C 29.796 0.04 . 346 216 49 GLU CG C 37.262 0.06 . 347 216 49 GLU N N 115.339 0.02 . 348 217 50 GLY H H 7.286 0.00 . 349 217 50 GLY HA3 H 3.744 0.00 . 350 217 50 GLY N N 107.988 0.01 . 351 218 51 PRO HA H 5.180 0.00 . 352 218 51 PRO HB2 H 1.794 0.00 . 353 218 51 PRO HB3 H 2.090 0.00 . 354 218 51 PRO HG2 H 1.994 0.00 . 355 218 51 PRO HG3 H 2.109 0.00 . 356 218 51 PRO HD2 H 3.518 0.00 . 357 218 51 PRO HD3 H 3.670 0.00 . 358 218 51 PRO C C 177.264 0.00 . 359 218 51 PRO CA C 62.950 0.09 . 360 218 51 PRO CB C 32.343 0.03 . 361 218 51 PRO CG C 27.337 0.02 . 362 218 51 PRO CD C 49.632 0.03 . 363 219 52 VAL H H 8.985 0.00 . 364 219 52 VAL HA H 4.462 0.00 . 365 219 52 VAL HB H 1.936 0.00 . 366 219 52 VAL HG1 H 0.763 0.00 . 367 219 52 VAL HG2 H 0.694 0.00 . 368 219 52 VAL C C 176.019 0.00 . 369 219 52 VAL CA C 59.851 0.07 . 370 219 52 VAL CB C 35.905 0.07 . 371 219 52 VAL CG1 C 21.419 0.02 . 372 219 52 VAL CG2 C 20.292 0.02 . 373 219 52 VAL N N 119.174 0.01 . 374 220 53 GLU H H 8.483 0.00 . 375 220 53 GLU HA H 4.716 0.00 . 376 220 53 GLU HB2 H 1.746 0.00 . 377 220 53 GLU HB3 H 1.886 0.00 . 378 220 53 GLU HG2 H 1.941 0.00 . 379 220 53 GLU HG3 H 2.167 0.00 . 380 220 53 GLU C C 175.571 0.00 . 381 220 53 GLU CA C 56.102 0.00 . 382 220 53 GLU CB C 31.086 0.00 . 383 220 53 GLU CG C 37.392 0.02 . 384 220 53 GLU N N 122.389 0.00 . 385 221 54 VAL H H 9.141 0.00 . 386 221 54 VAL HA H 4.220 0.00 . 387 221 54 VAL HB H 1.872 0.00 . 388 221 54 VAL HG2 H 0.710 0.01 . 389 221 54 VAL C C 174.021 0.00 . 390 221 54 VAL CA C 60.737 0.12 . 391 221 54 VAL CB C 34.458 0.04 . 392 221 54 VAL CG2 C 21.441 0.03 . 393 221 54 VAL N N 124.631 0.01 . 394 222 55 ALA H H 8.474 0.00 . 395 222 55 ALA HA H 4.562 0.00 . 396 222 55 ALA HB H 1.281 0.00 . 397 222 55 ALA C C 175.960 0.00 . 398 222 55 ALA CA C 51.357 0.04 . 399 222 55 ALA CB C 18.569 0.04 . 400 222 55 ALA N N 127.956 0.02 . 401 223 56 VAL H H 8.983 0.00 . 402 223 56 VAL HA H 4.274 0.00 . 403 223 56 VAL HB H 1.968 0.00 . 404 223 56 VAL HG1 H 0.887 0.00 . 405 223 56 VAL HG2 H 0.846 0.02 . 406 223 56 VAL CA C 59.335 0.03 . 407 223 56 VAL CB C 32.825 0.05 . 408 223 56 VAL CG1 C 21.053 0.00 . 409 223 56 VAL CG2 C 21.936 0.02 . 410 223 56 VAL N N 125.805 0.02 . 411 224 57 PRO HA H 4.687 0.00 . 412 224 57 PRO HB2 H 1.676 0.01 . 413 224 57 PRO HB3 H 2.347 0.00 . 414 224 57 PRO HG2 H 1.749 0.00 . 415 224 57 PRO HG3 H 2.016 0.00 . 416 224 57 PRO HD2 H 3.513 0.00 . 417 224 57 PRO HD3 H 3.817 0.00 . 418 224 57 PRO CA C 61.176 0.00 . 419 224 57 PRO CB C 30.664 0.06 . 420 224 57 PRO CG C 27.090 0.00 . 421 225 58 PRO HA H 3.958 0.00 . 422 225 58 PRO HB2 H 2.209 0.00 . 423 225 58 PRO HB3 H 1.738 0.00 . 424 225 58 PRO HD2 H 3.520 0.00 . 425 225 58 PRO HD3 H 3.821 0.00 . 426 225 58 PRO C C 175.725 0.00 . 427 225 58 PRO CA C 63.151 0.10 . 428 225 58 PRO CB C 32.186 0.00 . 429 225 58 PRO CG C 27.367 0.01 . 430 225 58 PRO CD C 50.136 0.10 . 431 226 59 ARG H H 8.323 0.00 . 432 226 59 ARG HA H 3.878 0.00 . 433 226 59 ARG HB2 H 1.901 0.00 . 434 226 59 ARG HB3 H 2.043 0.00 . 435 226 59 ARG HD2 H 3.188 0.00 . 436 226 59 ARG HD3 H 3.287 0.00 . 437 226 59 ARG C C 176.415 0.00 . 438 226 59 ARG CA C 56.762 0.03 . 439 226 59 ARG CB C 26.373 0.05 . 440 226 59 ARG CG C 27.789 0.00 . 441 226 59 ARG CD C 43.290 0.02 . 442 226 59 ARG N N 117.321 0.01 . 443 227 60 THR H H 8.490 0.01 . 444 227 60 THR HA H 3.894 0.00 . 445 227 60 THR HB H 3.880 0.01 . 446 227 60 THR HG2 H 1.055 0.00 . 447 227 60 THR C C 173.130 0.00 . 448 227 60 THR CA C 65.957 0.02 . 449 227 60 THR CB C 69.196 0.03 . 450 227 60 THR CG2 C 23.060 0.00 . 451 227 60 THR N N 120.008 0.02 . 452 228 61 GLN H H 8.021 0.00 . 453 228 61 GLN HA H 4.443 0.01 . 454 228 61 GLN HB2 H 1.864 0.00 . 455 228 61 GLN HB3 H 2.171 0.00 . 456 228 61 GLN HG3 H 2.364 0.00 . 457 228 61 GLN HE21 H 7.460 0.00 . 458 228 61 GLN HE22 H 6.863 0.00 . 459 228 61 GLN C C 174.790 0.00 . 460 228 61 GLN CA C 53.526 0.08 . 461 228 61 GLN CB C 31.579 0.01 . 462 228 61 GLN CG C 33.961 0.04 . 463 228 61 GLN N N 125.170 0.00 . 464 228 61 GLN NE2 N 112.945 0.00 . 465 229 62 ALA H H 8.524 0.00 . 466 229 62 ALA HA H 3.856 0.00 . 467 229 62 ALA HB H 1.465 0.00 . 468 229 62 ALA C C 178.849 0.00 . 469 229 62 ALA CA C 53.564 0.01 . 470 229 62 ALA CB C 18.545 0.02 . 471 229 62 ALA N N 121.924 0.06 . 472 230 63 GLY H H 9.107 0.00 . 473 230 63 GLY HA2 H 3.678 0.00 . 474 230 63 GLY HA3 H 4.400 0.00 . 475 230 63 GLY C C 174.414 0.00 . 476 230 63 GLY CA C 45.008 0.02 . 477 230 63 GLY N N 110.990 0.01 . 478 231 64 ARG H H 7.562 0.00 . 479 231 64 ARG HA H 4.214 0.00 . 480 231 64 ARG HB2 H 1.788 0.01 . 481 231 64 ARG HB3 H 2.159 0.00 . 482 231 64 ARG HG3 H 1.793 0.00 . 483 231 64 ARG HD2 H 3.180 0.00 . 484 231 64 ARG HD3 H 3.415 0.00 . 485 231 64 ARG C C 175.082 0.00 . 486 231 64 ARG CA C 56.873 0.00 . 487 231 64 ARG CB C 30.677 0.03 . 488 231 64 ARG CG C 27.765 0.04 . 489 231 64 ARG CD C 43.537 0.02 . 490 231 64 ARG N N 121.525 0.03 . 491 232 65 LYS H H 8.728 0.00 . 492 232 65 LYS HA H 5.427 0.00 . 493 232 65 LYS HB2 H 1.633 0.00 . 494 232 65 LYS HB3 H 1.914 0.00 . 495 232 65 LYS HG2 H 1.387 0.00 . 496 232 65 LYS HG3 H 1.659 0.00 . 497 232 65 LYS HD2 H 1.677 0.00 . 498 232 65 LYS HD3 H 1.719 0.00 . 499 232 65 LYS HE3 H 2.990 0.00 . 500 232 65 LYS C C 175.929 0.00 . 501 232 65 LYS CA C 54.915 0.22 . 502 232 65 LYS CB C 34.448 0.10 . 503 232 65 LYS CG C 25.701 0.05 . 504 232 65 LYS CD C 29.393 0.07 . 505 232 65 LYS CE C 42.093 0.02 . 506 232 65 LYS N N 123.207 0.01 . 507 233 66 LEU H H 9.253 0.00 . 508 233 66 LEU HA H 4.454 0.00 . 509 233 66 LEU HD1 H 0.649 0.00 . 510 233 66 LEU HD2 H 0.466 0.00 . 511 233 66 LEU C C 174.727 0.00 . 512 233 66 LEU CA C 53.509 0.05 . 513 233 66 LEU CB C 42.627 0.01 . 514 233 66 LEU CD1 C 24.776 0.00 . 515 233 66 LEU CD2 C 24.516 0.01 . 516 233 66 LEU N N 126.546 0.01 . 517 234 67 ARG H H 8.556 0.01 . 518 234 67 ARG HA H 4.360 0.01 . 519 234 67 ARG HB2 H 1.444 0.01 . 520 234 67 ARG HB3 H 1.751 0.00 . 521 234 67 ARG HG2 H 0.490 0.00 . 522 234 67 ARG HG3 H 0.692 0.00 . 523 234 67 ARG HD2 H 2.987 0.02 . 524 234 67 ARG HD3 H 3.196 0.00 . 525 234 67 ARG C C 175.123 0.00 . 526 234 67 ARG CA C 54.976 0.05 . 527 234 67 ARG CB C 32.760 0.07 . 528 234 67 ARG CG C 27.127 0.05 . 529 234 67 ARG CD C 43.670 0.06 . 530 234 67 ARG N N 124.286 0.00 . 531 235 68 LEU H H 9.433 0.00 . 532 235 68 LEU HA H 4.593 0.00 . 533 235 68 LEU HB2 H 1.279 0.00 . 534 235 68 LEU HB3 H 1.635 0.00 . 535 235 68 LEU HG H 1.586 0.14 . 536 235 68 LEU HD1 H 0.723 0.00 . 537 235 68 LEU HD2 H 0.679 0.00 . 538 235 68 LEU C C 176.263 0.00 . 539 235 68 LEU CA C 53.612 0.04 . 540 235 68 LEU CB C 41.103 0.04 . 541 235 68 LEU CG C 27.540 0.06 . 542 235 68 LEU CD1 C 24.332 0.01 . 543 235 68 LEU CD2 C 25.275 0.01 . 544 235 68 LEU N N 130.436 0.00 . 545 236 69 LYS H H 8.532 0.00 . 546 236 69 LYS HA H 4.037 0.00 . 547 236 69 LYS HB2 H 1.596 0.01 . 548 236 69 LYS HB3 H 1.653 0.02 . 549 236 69 LYS HG2 H 1.410 0.00 . 550 236 69 LYS HG3 H 1.224 0.00 . 551 236 69 LYS HD3 H 1.621 0.01 . 552 236 69 LYS HE3 H 2.927 0.00 . 553 236 69 LYS C C 178.751 0.00 . 554 236 69 LYS CA C 56.709 0.07 . 555 236 69 LYS CB C 32.221 0.05 . 556 236 69 LYS CG C 24.866 0.03 . 557 236 69 LYS CD C 29.128 0.03 . 558 236 69 LYS CE C 41.813 0.00 . 559 236 69 LYS N N 126.816 0.01 . 560 237 70 GLY H H 9.304 0.00 . 561 237 70 GLY HA2 H 3.726 0.00 . 562 237 70 GLY HA3 H 3.898 0.00 . 563 237 70 GLY C C 174.641 0.00 . 564 237 70 GLY CA C 46.940 0.04 . 565 237 70 GLY N N 113.078 0.01 . 566 238 71 LYS H H 6.531 0.00 . 567 238 71 LYS HA H 4.672 0.00 . 568 238 71 LYS HB2 H 1.487 0.01 . 569 238 71 LYS HB3 H 2.224 0.01 . 570 238 71 LYS HG2 H 1.216 0.00 . 571 238 71 LYS HG3 H 1.266 0.00 . 572 238 71 LYS HE3 H 2.913 0.00 . 573 238 71 LYS C C 175.853 0.00 . 574 238 71 LYS CA C 54.002 0.06 . 575 238 71 LYS CB C 32.133 0.10 . 576 238 71 LYS CG C 24.931 0.03 . 577 238 71 LYS CD C 28.041 0.01 . 578 238 71 LYS CE C 42.212 0.00 . 579 238 71 LYS N N 114.380 0.03 . 580 239 72 GLY H H 8.243 0.00 . 581 239 72 GLY N N 108.001 0.00 . 582 240 73 PHE HA H 4.637 0.00 . 583 240 73 PHE HB2 H 2.957 0.00 . 584 240 73 PHE HB3 H 3.232 0.00 . 585 240 73 PHE HD1 H 7.206 0.00 . 586 240 73 PHE HD2 H 7.210 0.00 . 587 240 73 PHE HE1 H 7.291 0.00 . 588 240 73 PHE HE2 H 7.295 0.00 . 589 240 73 PHE CA C 55.554 0.00 . 590 240 73 PHE CB C 38.506 0.02 . 591 240 73 PHE CD1 C 130.761 0.04 . 592 240 73 PHE CD2 C 130.766 0.00 . 593 240 73 PHE CE1 C 131.861 0.00 . 594 240 73 PHE CE2 C 131.806 0.00 . 595 241 74 PRO HA H 4.566 0.00 . 596 241 74 PRO HB2 H 1.976 0.00 . 597 241 74 PRO HB3 H 2.205 0.00 . 598 241 74 PRO HG2 H 1.989 0.00 . 599 241 74 PRO HG3 H 2.082 0.00 . 600 241 74 PRO HD2 H 3.609 0.00 . 601 241 74 PRO HD3 H 3.823 0.00 . 602 241 74 PRO C C 175.280 0.00 . 603 241 74 PRO CA C 63.424 0.08 . 604 241 74 PRO CB C 32.339 0.04 . 605 241 74 PRO CG C 27.538 0.04 . 606 241 74 PRO CD C 50.604 0.18 . 607 242 75 GLY H H 7.811 0.00 . 608 242 75 GLY HA2 H 3.990 0.00 . 609 242 75 GLY HA3 H 4.345 0.01 . 610 242 75 GLY CA C 44.976 0.03 . 611 242 75 GLY N N 109.548 0.03 . 612 243 76 PRO HA H 4.303 0.00 . 613 243 76 PRO HB2 H 1.945 0.00 . 614 243 76 PRO HB3 H 2.345 0.00 . 615 243 76 PRO HG3 H 2.031 0.00 . 616 243 76 PRO HD2 H 3.527 0.00 . 617 243 76 PRO HD3 H 3.670 0.00 . 618 243 76 PRO C C 177.434 0.00 . 619 243 76 PRO CA C 64.895 0.02 . 620 243 76 PRO CB C 31.962 0.04 . 621 243 76 PRO CG C 27.117 0.06 . 622 243 76 PRO CD C 49.551 0.10 . 623 244 77 ALA H H 8.600 0.00 . 624 244 77 ALA HA H 4.604 0.00 . 625 244 77 ALA HB H 1.328 0.00 . 626 244 77 ALA C C 176.689 0.00 . 627 244 77 ALA CA C 51.231 0.02 . 628 244 77 ALA CB C 18.921 0.02 . 629 244 77 ALA N N 120.117 0.02 . 630 245 78 GLY H H 7.520 0.00 . 631 245 78 GLY HA2 H 3.771 0.01 . 632 245 78 GLY HA3 H 4.431 0.00 . 633 245 78 GLY C C 173.361 0.00 . 634 245 78 GLY CA C 44.126 0.06 . 635 245 78 GLY N N 108.049 0.00 . 636 246 79 ARG H H 8.513 0.00 . 637 246 79 ARG HA H 4.709 0.01 . 638 246 79 ARG HB3 H 1.581 0.00 . 639 246 79 ARG HG2 H 1.294 0.01 . 640 246 79 ARG HG3 H 1.759 0.01 . 641 246 79 ARG HD2 H 3.173 0.00 . 642 246 79 ARG C C 178.454 0.00 . 643 246 79 ARG CA C 56.034 0.05 . 644 246 79 ARG CB C 32.615 0.07 . 645 246 79 ARG CG C 28.020 0.13 . 646 246 79 ARG CD C 43.354 0.00 . 647 246 79 ARG N N 120.182 0.01 . 648 247 80 GLY H H 8.176 0.01 . 649 247 80 GLY HA2 H 3.782 0.01 . 650 247 80 GLY HA3 H 4.300 0.00 . 651 247 80 GLY C C 172.591 0.00 . 652 247 80 GLY CA C 43.980 0.08 . 653 247 80 GLY N N 107.824 0.06 . 654 248 81 ASP H H 9.181 0.00 . 655 248 81 ASP HA H 4.911 0.00 . 656 248 81 ASP HB2 H 1.798 0.00 . 657 248 81 ASP HB3 H 2.289 0.00 . 658 248 81 ASP C C 173.106 0.00 . 659 248 81 ASP CA C 53.719 0.09 . 660 248 81 ASP CB C 43.857 0.11 . 661 248 81 ASP N N 119.325 0.02 . 662 249 82 LEU H H 7.626 0.00 . 663 249 82 LEU HA H 4.901 0.00 . 664 249 82 LEU HB2 H 1.013 0.00 . 665 249 82 LEU HB3 H 1.640 0.00 . 666 249 82 LEU HD1 H 0.873 0.00 . 667 249 82 LEU HD2 H 0.748 0.00 . 668 249 82 LEU C C 173.662 0.00 . 669 249 82 LEU CA C 52.961 0.16 . 670 249 82 LEU CB C 45.823 0.03 . 671 249 82 LEU CD1 C 26.504 0.06 . 672 249 82 LEU CD2 C 23.384 0.05 . 673 249 82 LEU N N 121.365 0.00 . 674 250 83 TYR H H 9.217 0.00 . 675 250 83 TYR HA H 4.977 0.00 . 676 250 83 TYR HB2 H 2.353 0.00 . 677 250 83 TYR HB3 H 2.506 0.00 . 678 250 83 TYR HD1 H 6.571 0.00 . 679 250 83 TYR HD2 H 6.567 0.00 . 680 250 83 TYR HE1 H 6.700 0.00 . 681 250 83 TYR HE2 H 6.701 0.00 . 682 250 83 TYR C C 174.744 0.00 . 683 250 83 TYR CA C 56.911 0.05 . 684 250 83 TYR CB C 40.987 0.02 . 685 250 83 TYR CD1 C 132.741 0.00 . 686 250 83 TYR CD2 C 132.827 0.00 . 687 250 83 TYR CE1 C 117.463 0.00 . 688 250 83 TYR CE2 C 117.553 0.00 . 689 250 83 TYR N N 125.689 0.00 . 690 251 84 LEU H H 9.047 0.00 . 691 251 84 LEU HA H 5.015 0.01 . 692 251 84 LEU HB2 H 1.698 0.00 . 693 251 84 LEU HB3 H 1.199 0.00 . 694 251 84 LEU HD1 H 0.780 0.00 . 695 251 84 LEU HD2 H 0.732 0.00 . 696 251 84 LEU C C 175.382 0.00 . 697 251 84 LEU CA C 52.020 0.04 . 698 251 84 LEU CB C 43.973 0.02 . 699 251 84 LEU CG C 27.091 0.00 . 700 251 84 LEU CD1 C 24.325 0.07 . 701 251 84 LEU CD2 C 27.188 0.02 . 702 251 84 LEU N N 122.445 0.02 . 703 252 85 GLU H H 8.982 0.00 . 704 252 85 GLU HA H 4.819 0.00 . 705 252 85 GLU HB3 H 2.003 0.01 . 706 252 85 GLU HG2 H 1.980 0.00 . 707 252 85 GLU HG3 H 2.076 0.00 . 708 252 85 GLU C C 176.162 0.00 . 709 252 85 GLU CA C 55.116 0.12 . 710 252 85 GLU CB C 31.432 0.08 . 711 252 85 GLU CG C 37.092 0.04 . 712 252 85 GLU N N 124.807 0.00 . 713 253 86 VAL H H 9.022 0.00 . 714 253 86 VAL HA H 4.334 0.00 . 715 253 86 VAL HB H 2.163 0.00 . 716 253 86 VAL HG1 H 0.709 0.00 . 717 253 86 VAL HG2 H 1.060 0.00 . 718 253 86 VAL C C 176.266 0.00 . 719 253 86 VAL CA C 64.735 0.10 . 720 253 86 VAL CB C 32.438 0.02 . 721 253 86 VAL CG1 C 21.331 0.08 . 722 253 86 VAL CG2 C 22.672 0.08 . 723 253 86 VAL N N 128.065 0.00 . 724 254 87 ARG H H 9.369 0.00 . 725 254 87 ARG HA H 4.550 0.01 . 726 254 87 ARG HB2 H 1.724 0.00 . 727 254 87 ARG HB3 H 1.929 0.00 . 728 254 87 ARG HG2 H 1.382 0.00 . 729 254 87 ARG HG3 H 1.642 0.00 . 730 254 87 ARG HD2 H 3.138 0.00 . 731 254 87 ARG HD3 H 3.197 0.00 . 732 254 87 ARG C C 173.887 0.00 . 733 254 87 ARG CA C 55.143 0.02 . 734 254 87 ARG CB C 32.735 0.12 . 735 254 87 ARG CG C 27.000 0.00 . 736 254 87 ARG CD C 43.698 0.03 . 737 254 87 ARG N N 133.671 0.02 . 738 255 88 ILE H H 8.413 0.00 . 739 255 88 ILE HA H 5.042 0.00 . 740 255 88 ILE HB H 1.912 0.00 . 741 255 88 ILE HG12 H 1.159 0.00 . 742 255 88 ILE HG13 H 1.493 0.00 . 743 255 88 ILE HG2 H 0.989 0.00 . 744 255 88 ILE HD1 H 0.629 0.00 . 745 255 88 ILE C C 176.950 0.00 . 746 255 88 ILE CA C 59.155 0.09 . 747 255 88 ILE CB C 36.715 0.05 . 748 255 88 ILE CG1 C 27.490 0.05 . 749 255 88 ILE CG2 C 17.315 0.00 . 750 255 88 ILE CD1 C 11.083 0.03 . 751 255 88 ILE N N 126.224 0.00 . 752 256 89 THR H H 8.416 0.00 . 753 256 89 THR HB H 4.322 0.00 . 754 256 89 THR HG2 H 0.955 0.00 . 755 256 89 THR CA C 62.198 0.05 . 756 256 89 THR CB C 70.255 0.11 . 757 256 89 THR CG2 C 22.203 0.05 . 758 256 89 THR N N 126.963 0.01 . stop_ save_