data_30632 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _BMRB_accession_number 30632 _BMRB_flat_file_name bmr30632.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" 412 "13C chemical shifts" 354 "15N chemical shifts" 79 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 9571.893 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; MKDGAVMVMSYGNSEEDGSG GSGGSGGSQDLYATLDVPAP IAVVGGKVRAMTLEGPVEVA VPPRTQAGRKLRLKGKGFPG PAGRGDLYLEVRIT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 163 MET 2 164 LYS 3 165 ASP 4 166 GLY 5 167 ALA 6 168 VAL 7 169 MET 8 170 VAL 9 171 MET 10 172 SER 11 173 TYR 12 174 GLY 13 175 ASN 14 176 SER 15 177 GLU 16 178 GLU 17 179 ASP 18 180 GLY 19 181 SER 20 182 GLY 21 183 GLY 22 184 SER 23 185 GLY 24 186 GLY 25 187 SER 26 188 GLY 27 189 GLY 28 190 SER 29 191 GLN 30 192 ASP 31 193 LEU 32 194 TYR 33 195 ALA 34 196 THR 35 197 LEU 36 198 ASP 37 199 VAL 38 200 PRO 39 201 ALA 40 202 PRO 41 203 ILE 42 204 ALA 43 205 VAL 44 206 VAL 45 207 GLY 46 208 GLY 47 209 LYS 48 210 VAL 49 211 ARG 50 212 ALA 51 213 MET 52 214 THR 53 215 LEU 54 216 GLU 55 217 GLY 56 218 PRO 57 219 VAL 58 220 GLU 59 221 VAL 60 222 ALA 61 223 VAL 62 224 PRO 63 225 PRO 64 226 ARG 65 227 THR 66 228 GLN 67 229 ALA 68 230 GLY 69 231 ARG 70 232 LYS 71 233 LEU 72 234 ARG 73 235 LEU 74 236 LYS 75 237 GLY 76 238 LYS 77 239 GLY 78 240 PHE 79 241 PRO 80 242 GLY 81 243 PRO 82 244 ALA 83 245 GLY 84 246 ARG 85 247 GLY 86 248 ASP 87 249 LEU 88 250 TYR 89 251 LEU 90 252 GLU 91 253 VAL 92 254 ARG 93 255 ILE 94 256 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-100% 13C; U-100% 15N] PhoA-Hsp40/DnaJ CBD2 fusion, 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 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 PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' 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_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_CCH_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH TOCSY' _Sample_label $sample_1 save_ save_3D_CCH_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH 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_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 . 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 C(CO)NH' '3D CCH TOCSY' '3D CCH NOESY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 163 1 MET HA H 4.444 0.00 . 2 163 1 MET C C 173.384 0.00 . 3 163 1 MET CA C 55.514 0.01 . 4 163 1 MET CB C 32.971 0.02 . 5 163 1 MET CG C 31.872 0.00 . 6 164 2 LYS H H 8.576 0.00 . 7 164 2 LYS HA H 4.272 0.00 . 8 164 2 LYS HB2 H 1.812 0.01 . 9 164 2 LYS HB3 H 1.741 0.00 . 10 164 2 LYS HG2 H 1.371 0.00 . 11 164 2 LYS HG3 H 1.403 0.00 . 12 164 2 LYS HD3 H 1.648 0.00 . 13 164 2 LYS HE2 H 2.851 0.00 . 14 164 2 LYS HE3 H 2.967 0.00 . 15 164 2 LYS C C 173.507 0.00 . 16 164 2 LYS CA C 56.534 0.03 . 17 164 2 LYS CB C 32.992 0.03 . 18 164 2 LYS CG C 24.673 0.05 . 19 164 2 LYS CD C 29.107 0.06 . 20 164 2 LYS CE C 42.105 0.03 . 21 164 2 LYS N N 123.014 0.02 . 22 165 3 ASP H H 8.386 0.00 . 23 165 3 ASP HA H 4.531 0.00 . 24 165 3 ASP HB3 H 2.652 0.01 . 25 165 3 ASP C C 173.914 0.00 . 26 165 3 ASP CA C 54.723 0.04 . 27 165 3 ASP CB C 41.109 0.05 . 28 165 3 ASP N N 121.736 0.04 . 29 166 4 GLY H H 8.370 0.00 . 30 166 4 GLY HA3 H 3.906 0.00 . 31 166 4 GLY C C 171.098 0.00 . 32 166 4 GLY CA C 45.521 0.07 . 33 166 4 GLY N N 109.269 0.01 . 34 167 5 ALA H H 8.078 0.00 . 35 167 5 ALA HA H 4.349 0.00 . 36 167 5 ALA HB H 1.357 0.00 . 37 167 5 ALA C C 174.739 0.00 . 38 167 5 ALA CA C 52.379 0.04 . 39 167 5 ALA CB C 19.585 0.03 . 40 167 5 ALA N N 123.586 0.02 . 41 168 6 VAL H H 8.096 0.00 . 42 168 6 VAL HA H 4.091 0.01 . 43 168 6 VAL HB H 2.013 0.00 . 44 168 6 VAL HG1 H 0.887 0.00 . 45 168 6 VAL HG2 H 0.919 0.00 . 46 168 6 VAL C C 173.163 0.00 . 47 168 6 VAL CA C 62.164 0.02 . 48 168 6 VAL CB C 32.848 0.10 . 49 168 6 VAL CG1 C 21.263 0.02 . 50 168 6 VAL CG2 C 20.763 0.06 . 51 168 6 VAL N N 119.374 0.02 . 52 169 7 MET H H 8.447 0.00 . 53 169 7 MET HA H 4.516 0.00 . 54 169 7 MET HB3 H 1.961 0.01 . 55 169 7 MET HG3 H 2.501 0.00 . 56 169 7 MET HE H 2.000 0.00 . 57 169 7 MET C C 172.955 0.00 . 58 169 7 MET CA C 55.335 0.07 . 59 169 7 MET CB C 32.903 0.45 . 60 169 7 MET CG C 31.940 0.03 . 61 169 7 MET CE C 17.039 0.00 . 62 169 7 MET N N 124.957 0.03 . 63 170 8 VAL H H 8.249 0.00 . 64 170 8 VAL HA H 4.104 0.00 . 65 170 8 VAL HB H 2.015 0.00 . 66 170 8 VAL HG1 H 0.884 0.00 . 67 170 8 VAL HG2 H 0.880 0.00 . 68 170 8 VAL CA C 62.144 0.00 . 69 170 8 VAL CB C 33.025 0.00 . 70 170 8 VAL CG1 C 20.686 0.00 . 71 170 8 VAL CG2 C 21.269 0.00 . 72 170 8 VAL N N 122.664 0.06 . 73 171 9 MET H H 8.481 0.00 . 74 171 9 MET HA H 4.477 0.00 . 75 171 9 MET HB3 H 1.918 0.00 . 76 171 9 MET HG3 H 2.447 0.00 . 77 171 9 MET HE H 2.038 0.00 . 78 171 9 MET C C 172.924 0.00 . 79 171 9 MET CA C 55.128 0.08 . 80 171 9 MET CB C 33.042 0.03 . 81 171 9 MET CG C 32.010 0.01 . 82 171 9 MET CE C 17.019 0.00 . 83 171 9 MET N N 124.509 0.00 . 84 172 10 SER H H 8.229 0.00 . 85 172 10 SER HA H 4.441 0.00 . 86 172 10 SER HB2 H 3.768 0.00 . 87 172 10 SER HB3 H 3.743 0.01 . 88 172 10 SER C C 171.073 0.00 . 89 172 10 SER CA C 57.838 0.03 . 90 172 10 SER CB C 64.162 0.05 . 91 172 10 SER N N 116.785 0.02 . 92 173 11 TYR H H 8.309 0.00 . 93 173 11 TYR HA H 4.600 0.00 . 94 173 11 TYR HB2 H 2.885 0.00 . 95 173 11 TYR HB3 H 3.075 0.00 . 96 173 11 TYR HD1 H 7.083 0.00 . 97 173 11 TYR HD2 H 7.068 0.01 . 98 173 11 TYR HE1 H 6.772 0.00 . 99 173 11 TYR HE2 H 6.766 0.00 . 100 173 11 TYR C C 173.358 0.00 . 101 173 11 TYR CA C 57.876 0.03 . 102 173 11 TYR CB C 39.083 0.04 . 103 173 11 TYR CD1 C 133.301 0.00 . 104 173 11 TYR CD2 C 133.315 0.00 . 105 173 11 TYR CE1 C 118.166 0.00 . 106 173 11 TYR CE2 C 118.191 0.00 . 107 173 11 TYR N N 121.941 0.06 . 108 174 12 GLY H H 8.388 0.00 . 109 174 12 GLY HA3 H 3.914 0.00 . 110 174 12 GLY C C 170.902 0.00 . 111 174 12 GLY CA C 45.429 0.08 . 112 174 12 GLY N N 110.218 0.03 . 113 175 13 ASN H H 8.350 0.00 . 114 175 13 ASN HA H 4.770 0.00 . 115 175 13 ASN HB2 H 2.743 0.01 . 116 175 13 ASN HB3 H 2.837 0.00 . 117 175 13 ASN C C 172.624 0.00 . 118 175 13 ASN CA C 53.148 0.06 . 119 175 13 ASN CB C 39.222 0.03 . 120 175 13 ASN N N 118.805 0.03 . 121 176 14 SER H H 8.462 0.00 . 122 176 14 SER HA H 4.440 0.00 . 123 176 14 SER HB2 H 3.898 0.00 . 124 176 14 SER HB3 H 3.890 0.03 . 125 176 14 SER C C 171.967 0.00 . 126 176 14 SER CA C 58.750 0.00 . 127 176 14 SER CB C 63.898 0.01 . 128 176 14 SER N N 116.674 0.03 . 129 177 15 GLU H H 8.534 0.00 . 130 177 15 GLU HA H 4.273 0.00 . 131 177 15 GLU HB2 H 1.930 0.00 . 132 177 15 GLU HB3 H 2.066 0.00 . 133 177 15 GLU CA C 56.900 0.03 . 134 177 15 GLU CB C 30.087 0.07 . 135 177 15 GLU CG C 36.434 0.00 . 136 177 15 GLU N N 122.326 0.02 . 137 178 16 GLU H H 8.356 0.00 . 138 178 16 GLU HA H 4.267 0.00 . 139 178 16 GLU HB2 H 1.926 0.00 . 140 178 16 GLU HB3 H 2.050 0.01 . 141 178 16 GLU HG3 H 2.240 0.00 . 142 178 16 GLU C C 173.681 0.00 . 143 178 16 GLU CA C 56.779 0.03 . 144 178 16 GLU CB C 30.220 0.03 . 145 178 16 GLU CG C 36.340 0.02 . 146 178 16 GLU N N 121.069 0.02 . 147 179 17 ASP H H 8.306 0.00 . 148 179 17 ASP HA H 4.585 0.00 . 149 179 17 ASP HB3 H 2.703 0.00 . 150 179 17 ASP C C 174.326 0.00 . 151 179 17 ASP CA C 54.442 0.04 . 152 179 17 ASP CB C 41.243 0.02 . 153 179 17 ASP N N 121.235 0.02 . 154 180 18 GLY H H 8.424 0.00 . 155 180 18 GLY HA2 H 3.968 0.00 . 156 180 18 GLY CA C 46.932 0.00 . 157 180 18 GLY N N 109.991 0.03 . 158 181 19 SER HA H 4.440 0.00 . 159 181 19 SER HB2 H 3.894 0.00 . 160 182 20 GLY H H 8.564 0.00 . 161 182 20 GLY N N 110.939 0.00 . 162 183 21 GLY HA2 H 4.359 0.00 . 163 183 21 GLY CA C 44.952 0.00 . 164 184 22 SER HA H 4.452 0.01 . 165 184 22 SER CA C 58.654 0.08 . 166 184 22 SER CB C 63.882 0.04 . 167 185 23 GLY H H 8.563 0.00 . 168 185 23 GLY HA3 H 4.027 0.00 . 169 185 23 GLY C C 171.970 0.00 . 170 185 23 GLY CA C 45.627 0.05 . 171 185 23 GLY N N 110.916 0.00 . 172 186 24 GLY H H 8.402 0.00 . 173 186 24 GLY HA2 H 3.995 0.00 . 174 186 24 GLY C C 172.124 0.00 . 175 186 24 GLY CA C 45.571 0.04 . 176 186 24 GLY N N 109.163 0.03 . 177 187 25 SER H H 8.366 0.00 . 178 187 25 SER C C 172.587 0.00 . 179 187 25 SER CA C 58.917 0.04 . 180 187 25 SER CB C 64.068 0.00 . 181 187 25 SER N N 116.015 0.07 . 182 188 26 GLY H H 8.561 0.00 . 183 188 26 GLY HA3 H 4.044 0.00 . 184 188 26 GLY C C 172.414 0.00 . 185 188 26 GLY N N 110.921 0.01 . 186 189 27 GLY H H 8.422 0.00 . 187 189 27 GLY CA C 47.013 0.00 . 188 189 27 GLY N N 116.383 0.06 . 189 190 28 SER H H 8.574 0.01 . 190 190 28 SER HA H 4.478 0.00 . 191 190 28 SER HB3 H 3.962 0.00 . 192 190 28 SER C C 172.188 0.00 . 193 190 28 SER CA C 59.432 0.03 . 194 190 28 SER CB C 63.833 0.11 . 195 190 28 SER N N 111.045 0.10 . 196 191 29 GLN H H 8.682 0.00 . 197 191 29 GLN HA H 4.624 0.01 . 198 191 29 GLN HB2 H 2.051 0.00 . 199 191 29 GLN HB3 H 2.452 0.00 . 200 191 29 GLN HG2 H 2.411 0.00 . 201 191 29 GLN HG3 H 2.338 0.00 . 202 191 29 GLN C C 172.299 0.00 . 203 191 29 GLN CA C 56.258 0.06 . 204 191 29 GLN CB C 29.288 0.06 . 205 191 29 GLN CG C 34.708 0.04 . 206 191 29 GLN N N 120.422 0.04 . 207 192 30 ASP H H 7.988 0.00 . 208 192 30 ASP HB2 H 2.840 0.00 . 209 192 30 ASP CB C 41.925 0.07 . 210 192 30 ASP N N 122.168 0.04 . 211 193 31 LEU HB2 H 1.195 0.00 . 212 193 31 LEU HB3 H 1.421 0.00 . 213 193 31 LEU HG H 1.274 0.00 . 214 193 31 LEU HD1 H 0.647 0.01 . 215 193 31 LEU HD2 H 0.469 0.00 . 216 193 31 LEU CA C 53.257 0.04 . 217 193 31 LEU CB C 47.012 0.03 . 218 193 31 LEU CG C 26.813 0.02 . 219 193 31 LEU CD1 C 24.848 0.00 . 220 193 31 LEU CD2 C 24.465 0.01 . 221 194 32 TYR H H 8.845 0.00 . 222 194 32 TYR HA H 5.500 0.00 . 223 194 32 TYR HD1 H 7.078 0.00 . 224 194 32 TYR HD2 H 7.078 0.00 . 225 194 32 TYR HE1 H 6.427 0.00 . 226 194 32 TYR HE2 H 6.428 0.00 . 227 194 32 TYR CA C 56.979 0.00 . 228 194 32 TYR CB C 41.065 0.00 . 229 194 32 TYR CD1 C 133.315 0.00 . 230 194 32 TYR CD2 C 133.315 0.00 . 231 194 32 TYR CE1 C 117.604 0.00 . 232 194 32 TYR CE2 C 117.601 0.00 . 233 194 32 TYR N N 121.658 0.00 . 234 195 33 ALA H H 8.926 0.00 . 235 195 33 ALA HA H 4.924 0.00 . 236 195 33 ALA HB H 1.544 0.00 . 237 195 33 ALA CA C 51.064 0.05 . 238 195 33 ALA CB C 22.985 0.04 . 239 195 33 ALA N N 124.447 0.00 . 240 196 34 THR HA H 4.986 0.00 . 241 196 34 THR HB H 4.027 0.00 . 242 196 34 THR HG2 H 1.184 0.00 . 243 196 34 THR C C 170.247 0.00 . 244 196 34 THR CA C 62.032 0.03 . 245 196 34 THR CB C 71.023 0.08 . 246 196 34 THR CG2 C 22.341 0.10 . 247 197 35 LEU H H 8.721 0.00 . 248 197 35 LEU HA H 4.654 0.00 . 249 197 35 LEU HB2 H 1.537 0.00 . 250 197 35 LEU HB3 H 1.193 0.01 . 251 197 35 LEU HG H 1.272 0.00 . 252 197 35 LEU HD1 H 0.561 0.00 . 253 197 35 LEU HD2 H 0.914 0.00 . 254 197 35 LEU C C 170.848 0.00 . 255 197 35 LEU CA C 53.167 0.07 . 256 197 35 LEU CB C 47.145 0.06 . 257 197 35 LEU CG C 26.812 0.00 . 258 197 35 LEU CD1 C 26.428 0.04 . 259 197 35 LEU CD2 C 23.609 0.05 . 260 197 35 LEU N N 126.443 0.02 . 261 198 36 ASP H H 8.621 0.00 . 262 198 36 ASP HA H 5.165 0.00 . 263 198 36 ASP HB2 H 2.477 0.00 . 264 198 36 ASP HB3 H 2.641 0.00 . 265 198 36 ASP C C 173.026 0.00 . 266 198 36 ASP CA C 54.218 0.03 . 267 198 36 ASP CB C 40.719 0.03 . 268 198 36 ASP N N 129.644 0.01 . 269 199 37 VAL H H 9.237 0.00 . 270 199 37 VAL HA H 4.492 0.00 . 271 199 37 VAL HB H 1.907 0.00 . 272 199 37 VAL HG1 H 0.853 0.00 . 273 199 37 VAL HG2 H 0.798 0.00 . 274 199 37 VAL CA C 58.607 0.07 . 275 199 37 VAL CB C 34.970 0.05 . 276 199 37 VAL CG1 C 23.045 0.03 . 277 199 37 VAL CG2 C 21.812 0.04 . 278 199 37 VAL N N 124.798 0.03 . 279 200 38 PRO HA H 4.651 0.01 . 280 200 38 PRO HB3 H 2.469 0.00 . 281 200 38 PRO HD2 H 3.370 0.00 . 282 200 38 PRO HD3 H 3.921 0.00 . 283 200 38 PRO C C 175.813 0.00 . 284 200 38 PRO CA C 62.437 0.06 . 285 200 38 PRO CB C 33.179 0.07 . 286 200 38 PRO CG C 28.119 0.00 . 287 200 38 PRO CD C 51.219 0.01 . 288 201 39 ALA H H 9.020 0.00 . 289 201 39 ALA HA H 4.164 0.00 . 290 201 39 ALA HB H 1.445 0.00 . 291 201 39 ALA CA C 57.119 0.02 . 292 201 39 ALA CB C 16.080 0.03 . 293 201 39 ALA N N 127.319 0.02 . 294 202 40 PRO HA H 4.337 0.00 . 295 202 40 PRO HB3 H 2.360 0.00 . 296 202 40 PRO HG2 H 1.972 0.00 . 297 202 40 PRO HG3 H 2.024 0.01 . 298 202 40 PRO HD2 H 3.863 0.00 . 299 202 40 PRO HD3 H 3.533 0.00 . 300 202 40 PRO C C 177.114 0.00 . 301 202 40 PRO CA C 66.174 0.04 . 302 202 40 PRO CB C 31.442 0.06 . 303 202 40 PRO CG C 28.451 0.04 . 304 202 40 PRO CD C 50.365 0.05 . 305 203 41 ILE H H 7.131 0.00 . 306 203 41 ILE HA H 3.595 0.00 . 307 203 41 ILE HB H 1.852 0.00 . 308 203 41 ILE HG12 H 1.547 0.00 . 309 203 41 ILE HG13 H 1.202 0.00 . 310 203 41 ILE HG2 H 0.498 0.00 . 311 203 41 ILE HD1 H 0.798 0.00 . 312 203 41 ILE C C 173.984 0.00 . 313 203 41 ILE CA C 62.611 0.03 . 314 203 41 ILE CB C 36.606 0.06 . 315 203 41 ILE CG1 C 28.478 0.05 . 316 203 41 ILE CG2 C 16.139 0.05 . 317 203 41 ILE CD1 C 11.743 0.07 . 318 203 41 ILE N N 116.600 0.05 . 319 204 42 ALA H H 7.546 0.00 . 320 204 42 ALA HA H 3.761 0.00 . 321 204 42 ALA HB H 1.369 0.00 . 322 204 42 ALA C C 175.001 0.00 . 323 204 42 ALA CA C 54.961 0.06 . 324 204 42 ALA CB C 17.287 0.09 . 325 204 42 ALA N N 121.855 0.04 . 326 205 43 VAL H H 7.303 0.00 . 327 205 43 VAL HA H 3.739 0.00 . 328 205 43 VAL HB H 2.091 0.01 . 329 205 43 VAL HG1 H 0.945 0.00 . 330 205 43 VAL HG2 H 1.063 0.00 . 331 205 43 VAL C C 176.650 0.00 . 332 205 43 VAL CA C 67.035 0.05 . 333 205 43 VAL CB C 32.280 0.09 . 334 205 43 VAL CG1 C 21.267 0.02 . 335 205 43 VAL CG2 C 22.378 0.06 . 336 205 43 VAL N N 111.965 0.02 . 337 206 44 VAL H H 7.186 0.00 . 338 206 44 VAL HA H 4.222 0.00 . 339 206 44 VAL HB H 2.306 0.00 . 340 206 44 VAL HG1 H 1.151 0.00 . 341 206 44 VAL HG2 H 1.069 0.00 . 342 206 44 VAL C C 174.637 0.00 . 343 206 44 VAL CA C 63.132 0.01 . 344 206 44 VAL CB C 33.242 0.04 . 345 206 44 VAL CG1 C 19.644 0.05 . 346 206 44 VAL CG2 C 21.941 0.04 . 347 206 44 VAL N N 113.264 0.03 . 348 207 45 GLY H H 8.423 0.00 . 349 207 45 GLY HA3 H 4.069 0.00 . 350 207 45 GLY C C 169.741 0.00 . 351 207 45 GLY CA C 43.847 0.09 . 352 207 45 GLY N N 113.736 0.04 . 353 208 46 GLY H H 8.144 0.00 . 354 208 46 GLY HA2 H 3.885 0.00 . 355 208 46 GLY HA3 H 4.128 0.00 . 356 208 46 GLY C C 168.542 0.00 . 357 208 46 GLY CA C 45.594 0.08 . 358 208 46 GLY N N 104.952 0.03 . 359 209 47 LYS H H 8.416 0.00 . 360 209 47 LYS HA H 5.291 0.00 . 361 209 47 LYS HB2 H 1.615 0.01 . 362 209 47 LYS HB3 H 1.500 0.00 . 363 209 47 LYS HG2 H 1.372 0.00 . 364 209 47 LYS HG3 H 1.179 0.00 . 365 209 47 LYS HD2 H 1.460 0.01 . 366 209 47 LYS HD3 H 1.530 0.00 . 367 209 47 LYS HE2 H 2.846 0.00 . 368 209 47 LYS C C 173.331 0.00 . 369 209 47 LYS CA C 55.148 0.04 . 370 209 47 LYS CB C 35.014 0.08 . 371 209 47 LYS CG C 24.945 0.07 . 372 209 47 LYS CD C 29.263 0.04 . 373 209 47 LYS CE C 42.057 0.02 . 374 209 47 LYS N N 120.822 0.05 . 375 210 48 VAL H H 8.678 0.00 . 376 210 48 VAL HA H 4.498 0.01 . 377 210 48 VAL HB H 2.084 0.01 . 378 210 48 VAL HG1 H 0.819 0.00 . 379 210 48 VAL HG2 H 1.011 0.00 . 380 210 48 VAL C C 171.249 0.00 . 381 210 48 VAL CA C 59.741 0.03 . 382 210 48 VAL CB C 35.745 0.07 . 383 210 48 VAL CG1 C 20.802 0.08 . 384 210 48 VAL CG2 C 22.189 0.07 . 385 210 48 VAL N N 117.463 0.04 . 386 211 49 ARG H H 8.505 0.00 . 387 211 49 ARG HA H 4.842 0.00 . 388 211 49 ARG HB2 H 1.651 0.01 . 389 211 49 ARG HB3 H 1.734 0.01 . 390 211 49 ARG HG2 H 1.406 0.00 . 391 211 49 ARG HG3 H 1.563 0.00 . 392 211 49 ARG HD3 H 3.107 0.00 . 393 211 49 ARG C C 172.214 0.00 . 394 211 49 ARG CA C 55.871 0.04 . 395 211 49 ARG CB C 31.378 0.06 . 396 211 49 ARG CG C 27.725 0.04 . 397 211 49 ARG CD C 43.617 0.03 . 398 211 49 ARG N N 123.445 0.06 . 399 212 50 ALA H H 9.037 0.00 . 400 212 50 ALA HA H 4.626 0.00 . 401 212 50 ALA HB H 1.135 0.00 . 402 212 50 ALA C C 172.838 0.00 . 403 212 50 ALA CA C 50.149 0.03 . 404 212 50 ALA CB C 22.369 0.09 . 405 212 50 ALA N N 127.467 0.04 . 406 213 51 MET H H 8.470 0.00 . 407 213 51 MET HB3 H 2.360 0.00 . 408 213 51 MET HE H 2.004 0.00 . 409 213 51 MET CA C 50.285 0.09 . 410 213 51 MET CB C 31.534 0.07 . 411 213 51 MET CE C 16.330 0.00 . 412 213 51 MET N N 120.472 0.03 . 413 214 52 THR HA H 4.407 0.00 . 414 214 52 THR HB H 4.651 0.01 . 415 214 52 THR C C 173.079 0.00 . 416 214 52 THR CA C 59.842 0.05 . 417 214 52 THR CB C 72.036 0.06 . 418 214 52 THR CG2 C 21.401 0.12 . 419 215 53 LEU H H 9.056 0.01 . 420 215 53 LEU HA H 4.072 0.00 . 421 215 53 LEU HB2 H 1.630 0.00 . 422 215 53 LEU HB3 H 1.829 0.00 . 423 215 53 LEU HG H 1.742 0.00 . 424 215 53 LEU HD1 H 0.892 0.00 . 425 215 53 LEU HD2 H 0.910 0.00 . 426 215 53 LEU C C 175.144 0.00 . 427 215 53 LEU CA C 57.956 0.03 . 428 215 53 LEU CB C 41.434 0.05 . 429 215 53 LEU CG C 27.374 0.06 . 430 215 53 LEU CD1 C 25.145 0.14 . 431 215 53 LEU CD2 C 23.524 0.02 . 432 215 53 LEU N N 121.071 0.06 . 433 216 54 GLU H H 7.784 0.00 . 434 216 54 GLU HA H 4.357 0.01 . 435 216 54 GLU HB3 H 2.154 0.00 . 436 216 54 GLU HG2 H 2.069 0.00 . 437 216 54 GLU HG3 H 2.282 0.00 . 438 216 54 GLU C C 172.777 0.00 . 439 216 54 GLU CA C 56.398 0.03 . 440 216 54 GLU CB C 29.838 0.07 . 441 216 54 GLU CG C 37.202 0.04 . 442 216 54 GLU N N 115.217 0.02 . 443 217 55 GLY H H 7.294 0.01 . 444 217 55 GLY CA C 44.153 0.00 . 445 217 55 GLY N N 107.985 0.02 . 446 218 56 PRO HA H 5.161 0.00 . 447 218 56 PRO HB2 H 2.089 0.00 . 448 218 56 PRO HB3 H 1.785 0.00 . 449 218 56 PRO HG2 H 2.007 0.02 . 450 218 56 PRO HG3 H 2.097 0.00 . 451 218 56 PRO HD2 H 3.537 0.00 . 452 218 56 PRO HD3 H 3.675 0.00 . 453 218 56 PRO C C 174.471 0.00 . 454 218 56 PRO CA C 62.868 0.10 . 455 218 56 PRO CB C 32.253 0.07 . 456 218 56 PRO CG C 27.315 0.08 . 457 218 56 PRO CD C 49.593 0.08 . 458 219 57 VAL H H 8.980 0.00 . 459 219 57 VAL HA H 4.460 0.00 . 460 219 57 VAL HB H 1.934 0.00 . 461 219 57 VAL HG1 H 0.761 0.00 . 462 219 57 VAL HG2 H 0.693 0.00 . 463 219 57 VAL CA C 59.862 0.02 . 464 219 57 VAL CB C 35.910 0.07 . 465 219 57 VAL CG1 C 21.459 0.04 . 466 219 57 VAL CG2 C 20.352 0.05 . 467 219 57 VAL N N 119.238 0.02 . 468 220 58 GLU H H 8.480 0.00 . 469 220 58 GLU HA H 4.687 0.00 . 470 220 58 GLU HB2 H 1.720 0.00 . 471 220 58 GLU HB3 H 1.882 0.01 . 472 220 58 GLU HG2 H 2.166 0.00 . 473 220 58 GLU HG3 H 1.929 0.01 . 474 220 58 GLU C C 172.795 0.00 . 475 220 58 GLU CA C 55.908 0.04 . 476 220 58 GLU CB C 31.156 0.09 . 477 220 58 GLU CG C 37.286 0.03 . 478 220 58 GLU N N 122.857 0.10 . 479 221 59 VAL H H 9.139 0.00 . 480 221 59 VAL HA H 4.162 0.01 . 481 221 59 VAL HB H 1.839 0.00 . 482 221 59 VAL HG1 H 0.683 0.00 . 483 221 59 VAL HG2 H 0.718 0.00 . 484 221 59 VAL C C 171.270 0.00 . 485 221 59 VAL CA C 60.743 0.02 . 486 221 59 VAL CB C 34.263 0.07 . 487 221 59 VAL CG1 C 21.460 0.06 . 488 221 59 VAL CG2 C 21.780 0.00 . 489 221 59 VAL N N 125.056 0.02 . 490 222 60 ALA H H 8.395 0.00 . 491 222 60 ALA HA H 4.510 0.00 . 492 222 60 ALA HB H 1.251 0.01 . 493 222 60 ALA C C 173.028 0.00 . 494 222 60 ALA CA C 51.316 0.08 . 495 222 60 ALA CB C 18.501 0.04 . 496 222 60 ALA N N 128.157 0.04 . 497 223 61 VAL H H 8.925 0.00 . 498 223 61 VAL HA H 4.239 0.00 . 499 223 61 VAL HG1 H 0.782 0.00 . 500 223 61 VAL HG2 H 0.880 0.00 . 501 223 61 VAL CA C 59.371 0.02 . 502 223 61 VAL CB C 32.721 0.04 . 503 223 61 VAL CG1 C 21.749 0.01 . 504 223 61 VAL CG2 C 21.325 0.00 . 505 223 61 VAL N N 125.737 0.03 . 506 224 62 PRO HA H 4.712 0.01 . 507 224 62 PRO HB2 H 1.760 0.01 . 508 224 62 PRO HB3 H 2.400 0.00 . 509 224 62 PRO HG2 H 1.923 0.00 . 510 224 62 PRO HD2 H 4.035 0.00 . 511 224 62 PRO HD3 H 3.594 0.00 . 512 224 62 PRO CA C 61.270 0.01 . 513 224 62 PRO CB C 30.710 0.06 . 514 224 62 PRO CG C 27.074 0.04 . 515 224 62 PRO CD C 51.062 0.05 . 516 225 63 PRO HA H 3.980 0.00 . 517 225 63 PRO HB2 H 1.754 0.00 . 518 225 63 PRO HB3 H 2.210 0.00 . 519 225 63 PRO HG2 H 1.955 0.00 . 520 225 63 PRO HG3 H 2.025 0.00 . 521 225 63 PRO HD2 H 3.524 0.00 . 522 225 63 PRO HD3 H 3.824 0.00 . 523 225 63 PRO C C 172.978 0.00 . 524 225 63 PRO CA C 63.061 0.07 . 525 225 63 PRO CB C 32.154 0.11 . 526 225 63 PRO CG C 27.340 0.03 . 527 225 63 PRO CD C 49.995 0.02 . 528 226 64 ARG H H 8.338 0.00 . 529 226 64 ARG HA H 3.888 0.00 . 530 226 64 ARG HB2 H 2.054 0.00 . 531 226 64 ARG HB3 H 1.912 0.01 . 532 226 64 ARG HG3 H 1.491 0.00 . 533 226 64 ARG HD2 H 3.288 0.00 . 534 226 64 ARG HD3 H 3.187 0.01 . 535 226 64 ARG C C 173.702 0.00 . 536 226 64 ARG CA C 56.717 0.05 . 537 226 64 ARG CB C 26.456 0.09 . 538 226 64 ARG CG C 27.703 0.09 . 539 226 64 ARG CD C 43.324 0.06 . 540 226 64 ARG N N 117.328 0.09 . 541 227 65 THR H H 8.523 0.00 . 542 227 65 THR HA H 3.941 0.00 . 543 227 65 THR HB H 3.926 0.00 . 544 227 65 THR HG2 H 1.100 0.00 . 545 227 65 THR C C 170.421 0.00 . 546 227 65 THR CA C 66.003 0.09 . 547 227 65 THR CB C 69.236 0.03 . 548 227 65 THR CG2 C 23.306 0.05 . 549 227 65 THR N N 120.062 0.07 . 550 228 66 GLN H H 8.165 0.00 . 551 228 66 GLN HA H 4.440 0.00 . 552 228 66 GLN HB2 H 1.861 0.00 . 553 228 66 GLN HB3 H 2.156 0.00 . 554 228 66 GLN HG3 H 2.363 0.00 . 555 228 66 GLN CA C 53.433 0.04 . 556 228 66 GLN CB C 31.472 0.04 . 557 228 66 GLN CG C 33.968 0.05 . 558 228 66 GLN N N 125.372 0.05 . 559 229 67 ALA H H 8.527 0.00 . 560 229 67 ALA HA H 3.842 0.00 . 561 229 67 ALA HB H 1.452 0.00 . 562 229 67 ALA C C 176.078 0.00 . 563 229 67 ALA CA C 53.557 0.06 . 564 229 67 ALA CB C 18.501 0.08 . 565 229 67 ALA N N 121.998 0.05 . 566 230 68 GLY H H 9.111 0.00 . 567 230 68 GLY HA2 H 4.360 0.00 . 568 230 68 GLY HA3 H 4.390 0.00 . 569 230 68 GLY C C 171.540 0.00 . 570 230 68 GLY CA C 44.936 0.04 . 571 230 68 GLY N N 111.211 0.03 . 572 231 69 ARG H H 7.595 0.00 . 573 231 69 ARG HA H 4.150 0.00 . 574 231 69 ARG HB2 H 1.704 0.00 . 575 231 69 ARG HB3 H 2.165 0.00 . 576 231 69 ARG HG3 H 1.712 0.00 . 577 231 69 ARG HD2 H 3.200 0.00 . 578 231 69 ARG HD3 H 3.429 0.00 . 579 231 69 ARG C C 172.159 0.00 . 580 231 69 ARG CA C 56.696 0.03 . 581 231 69 ARG CB C 30.686 0.06 . 582 231 69 ARG CG C 27.520 0.10 . 583 231 69 ARG CD C 43.530 0.02 . 584 231 69 ARG N N 121.792 0.02 . 585 232 70 LYS H H 8.729 0.00 . 586 232 70 LYS HA H 5.348 0.00 . 587 232 70 LYS HB2 H 1.636 0.01 . 588 232 70 LYS HB3 H 1.948 0.00 . 589 232 70 LYS HG2 H 1.651 0.00 . 590 232 70 LYS HG3 H 1.387 0.00 . 591 232 70 LYS HD2 H 1.705 0.01 . 592 232 70 LYS HD3 H 1.656 0.01 . 593 232 70 LYS HE3 H 2.986 0.00 . 594 232 70 LYS C C 173.750 0.00 . 595 232 70 LYS CA C 54.872 0.05 . 596 232 70 LYS CB C 33.961 0.05 . 597 232 70 LYS CG C 25.744 0.08 . 598 232 70 LYS CD C 29.406 0.07 . 599 232 70 LYS CE C 42.130 0.05 . 600 232 70 LYS N N 123.899 0.01 . 601 233 71 LEU H H 9.344 0.00 . 602 233 71 LEU HA H 4.663 0.00 . 603 233 71 LEU HB2 H 1.647 0.00 . 604 233 71 LEU HB3 H 1.399 0.00 . 605 233 71 LEU HG H 1.633 0.00 . 606 233 71 LEU HD1 H 0.815 0.00 . 607 233 71 LEU HD2 H 0.740 0.00 . 608 233 71 LEU C C 172.166 0.00 . 609 233 71 LEU CA C 53.630 0.10 . 610 233 71 LEU CB C 42.455 0.05 . 611 233 71 LEU CG C 27.237 0.03 . 612 233 71 LEU CD1 C 22.893 0.04 . 613 233 71 LEU CD2 C 25.985 0.09 . 614 233 71 LEU N N 126.433 0.03 . 615 234 72 ARG H H 8.624 0.00 . 616 234 72 ARG HA H 4.363 0.01 . 617 234 72 ARG HB2 H 1.517 0.00 . 618 234 72 ARG HB3 H 1.721 0.01 . 619 234 72 ARG HG3 H 1.152 0.00 . 620 234 72 ARG HD2 H 3.025 0.00 . 621 234 72 ARG C C 172.263 0.00 . 622 234 72 ARG CA C 55.158 0.03 . 623 234 72 ARG CB C 32.779 0.14 . 624 234 72 ARG CG C 26.927 0.13 . 625 234 72 ARG CD C 43.615 0.08 . 626 234 72 ARG N N 123.545 0.03 . 627 235 73 LEU H H 9.445 0.00 . 628 235 73 LEU HA H 4.608 0.01 . 629 235 73 LEU HB2 H 1.323 0.00 . 630 235 73 LEU HB3 H 1.623 0.00 . 631 235 73 LEU HG H 1.511 0.01 . 632 235 73 LEU HD1 H 0.701 0.00 . 633 235 73 LEU HD2 H 0.750 0.00 . 634 235 73 LEU C C 173.556 0.00 . 635 235 73 LEU CA C 53.761 0.05 . 636 235 73 LEU CB C 41.128 0.03 . 637 235 73 LEU CG C 27.933 0.06 . 638 235 73 LEU CD1 C 24.975 0.14 . 639 235 73 LEU CD2 C 24.638 0.01 . 640 235 73 LEU N N 130.610 0.03 . 641 236 74 LYS H H 8.564 0.00 . 642 236 74 LYS HA H 4.042 0.00 . 643 236 74 LYS HB2 H 1.676 0.00 . 644 236 74 LYS HB3 H 1.587 0.00 . 645 236 74 LYS HG2 H 1.232 0.00 . 646 236 74 LYS HG3 H 1.423 0.00 . 647 236 74 LYS HD3 H 1.622 0.00 . 648 236 74 LYS HE2 H 2.935 0.01 . 649 236 74 LYS C C 176.035 0.00 . 650 236 74 LYS CA C 56.649 0.04 . 651 236 74 LYS CB C 32.227 0.07 . 652 236 74 LYS CG C 24.792 0.07 . 653 236 74 LYS CD C 29.039 0.10 . 654 236 74 LYS CE C 41.810 0.03 . 655 236 74 LYS N N 126.722 0.02 . 656 237 75 GLY H H 9.316 0.01 . 657 237 75 GLY HA2 H 3.722 0.00 . 658 237 75 GLY HA3 H 3.899 0.01 . 659 237 75 GLY C C 171.899 0.00 . 660 237 75 GLY CA C 46.981 0.06 . 661 237 75 GLY N N 113.097 0.04 . 662 238 76 LYS H H 6.526 0.00 . 663 238 76 LYS HA H 4.665 0.01 . 664 238 76 LYS HB2 H 1.503 0.01 . 665 238 76 LYS HB3 H 2.216 0.00 . 666 238 76 LYS HG2 H 1.267 0.00 . 667 238 76 LYS HG3 H 1.226 0.01 . 668 238 76 LYS HE2 H 2.853 0.00 . 669 238 76 LYS C C 173.011 0.00 . 670 238 76 LYS CA C 53.965 0.12 . 671 238 76 LYS CB C 32.150 0.09 . 672 238 76 LYS CG C 24.913 0.03 . 673 238 76 LYS CD C 29.131 0.09 . 674 238 76 LYS CE C 42.031 0.07 . 675 238 76 LYS N N 114.364 0.02 . 676 239 77 GLY H H 8.224 0.00 . 677 239 77 GLY HA3 H 4.100 0.00 . 678 239 77 GLY CA C 43.395 0.06 . 679 239 77 GLY N N 107.994 0.05 . 680 240 78 PHE HB3 H 2.954 0.00 . 681 240 78 PHE HD1 H 7.184 0.00 . 682 240 78 PHE HD2 H 7.182 0.00 . 683 240 78 PHE HE1 H 7.283 0.00 . 684 240 78 PHE HE2 H 7.286 0.00 . 685 240 78 PHE CA C 58.344 0.00 . 686 240 78 PHE CB C 38.651 0.08 . 687 240 78 PHE CD1 C 130.722 0.00 . 688 240 78 PHE CD2 C 130.687 0.00 . 689 240 78 PHE CE1 C 131.813 0.00 . 690 240 78 PHE CE2 C 131.849 0.00 . 691 241 79 PRO HA H 4.560 0.00 . 692 241 79 PRO HB2 H 1.966 0.00 . 693 241 79 PRO HB3 H 2.194 0.00 . 694 241 79 PRO HG2 H 1.966 0.00 . 695 241 79 PRO HD2 H 3.580 0.00 . 696 241 79 PRO HD3 H 3.802 0.00 . 697 241 79 PRO C C 172.463 0.00 . 698 241 79 PRO CA C 63.350 0.02 . 699 241 79 PRO CB C 32.358 0.09 . 700 241 79 PRO CG C 27.278 0.09 . 701 241 79 PRO CD C 50.713 0.04 . 702 242 80 GLY H H 7.812 0.00 . 703 242 80 GLY CA C 45.027 0.00 . 704 242 80 GLY N N 109.528 0.05 . 705 243 81 PRO HA H 4.300 0.00 . 706 243 81 PRO HB2 H 2.346 0.00 . 707 243 81 PRO HB3 H 1.947 0.00 . 708 243 81 PRO C C 174.665 0.00 . 709 243 81 PRO CA C 64.883 0.03 . 710 243 81 PRO CB C 31.982 0.05 . 711 243 81 PRO CG C 27.098 0.07 . 712 243 81 PRO CD C 49.502 0.01 . 713 244 82 ALA H H 8.604 0.00 . 714 244 82 ALA HA H 4.597 0.00 . 715 244 82 ALA HB H 1.322 0.00 . 716 244 82 ALA C C 173.900 0.00 . 717 244 82 ALA CA C 51.205 0.05 . 718 244 82 ALA CB C 18.935 0.03 . 719 244 82 ALA N N 120.058 0.03 . 720 245 83 GLY H H 7.514 0.00 . 721 245 83 GLY HA3 H 4.424 0.00 . 722 245 83 GLY CA C 44.174 0.06 . 723 245 83 GLY N N 107.994 0.03 . 724 246 84 ARG H H 8.511 0.00 . 725 246 84 ARG HA H 4.693 0.00 . 726 246 84 ARG HB3 H 1.581 0.01 . 727 246 84 ARG HG2 H 1.298 0.00 . 728 246 84 ARG C C 175.655 0.00 . 729 246 84 ARG CA C 55.927 0.06 . 730 246 84 ARG CB C 32.596 0.10 . 731 246 84 ARG CG C 28.030 0.08 . 732 246 84 ARG CD C 43.329 0.05 . 733 246 84 ARG N N 120.149 0.03 . 734 247 85 GLY H H 8.189 0.01 . 735 247 85 GLY HA3 H 4.288 0.00 . 736 247 85 GLY C C 169.854 0.00 . 737 247 85 GLY CA C 44.110 0.07 . 738 247 85 GLY N N 107.820 0.02 . 739 248 86 ASP H H 9.175 0.00 . 740 248 86 ASP HA H 4.909 0.01 . 741 248 86 ASP HB2 H 1.803 0.00 . 742 248 86 ASP HB3 H 2.280 0.00 . 743 248 86 ASP C C 170.355 0.00 . 744 248 86 ASP CA C 53.819 0.10 . 745 248 86 ASP CB C 43.949 0.06 . 746 248 86 ASP N N 119.303 0.03 . 747 249 87 LEU H H 7.647 0.00 . 748 249 87 LEU HA H 4.887 0.00 . 749 249 87 LEU HB2 H 1.003 0.00 . 750 249 87 LEU HB3 H 1.651 0.01 . 751 249 87 LEU HG H 1.221 0.01 . 752 249 87 LEU HD1 H 0.872 0.00 . 753 249 87 LEU HD2 H 0.745 0.00 . 754 249 87 LEU C C 170.892 0.00 . 755 249 87 LEU CA C 52.851 0.06 . 756 249 87 LEU CB C 45.883 0.07 . 757 249 87 LEU CG C 27.845 0.04 . 758 249 87 LEU CD1 C 26.474 0.09 . 759 249 87 LEU CD2 C 23.360 0.05 . 760 249 87 LEU N N 121.336 0.02 . 761 250 88 TYR H H 9.234 0.00 . 762 250 88 TYR HA H 4.967 0.00 . 763 250 88 TYR HB2 H 2.383 0.00 . 764 250 88 TYR HB3 H 2.545 0.01 . 765 250 88 TYR HD1 H 6.579 0.00 . 766 250 88 TYR HD2 H 6.575 0.00 . 767 250 88 TYR HE1 H 6.698 0.00 . 768 250 88 TYR HE2 H 6.699 0.00 . 769 250 88 TYR C C 171.975 0.00 . 770 250 88 TYR CA C 57.009 0.04 . 771 250 88 TYR CB C 40.986 0.08 . 772 250 88 TYR CD1 C 132.857 0.00 . 773 250 88 TYR CD2 C 132.886 0.00 . 774 250 88 TYR CE1 C 117.580 0.00 . 775 250 88 TYR CE2 C 117.601 0.00 . 776 250 88 TYR N N 125.777 0.04 . 777 251 89 LEU H H 9.044 0.00 . 778 251 89 LEU HA H 5.041 0.00 . 779 251 89 LEU HB2 H 1.191 0.00 . 780 251 89 LEU HB3 H 1.714 0.00 . 781 251 89 LEU HG H 1.430 0.00 . 782 251 89 LEU HD1 H 0.749 0.00 . 783 251 89 LEU HD2 H 0.773 0.00 . 784 251 89 LEU CA C 51.914 0.07 . 785 251 89 LEU CB C 43.808 0.04 . 786 251 89 LEU CG C 26.981 0.27 . 787 251 89 LEU CD1 C 27.400 0.01 . 788 251 89 LEU CD2 C 24.253 0.05 . 789 251 89 LEU N N 122.398 0.05 . 790 252 90 GLU H H 9.081 0.00 . 791 252 90 GLU HA H 4.760 0.00 . 792 252 90 GLU HB3 H 1.983 0.00 . 793 252 90 GLU HG2 H 2.048 0.00 . 794 252 90 GLU HG3 H 1.931 0.00 . 795 252 90 GLU C C 173.256 0.00 . 796 252 90 GLU CA C 55.094 0.10 . 797 252 90 GLU CB C 31.337 0.18 . 798 252 90 GLU CG C 37.081 0.06 . 799 252 90 GLU N N 124.736 0.04 . 800 253 91 VAL H H 8.985 0.00 . 801 253 91 VAL HA H 4.256 0.00 . 802 253 91 VAL HB H 2.114 0.01 . 803 253 91 VAL HG1 H 0.972 0.00 . 804 253 91 VAL HG2 H 0.685 0.00 . 805 253 91 VAL C C 173.461 0.00 . 806 253 91 VAL CA C 64.741 0.04 . 807 253 91 VAL CB C 32.312 0.07 . 808 253 91 VAL CG1 C 22.283 0.11 . 809 253 91 VAL CG2 C 21.232 0.07 . 810 253 91 VAL N N 128.294 0.03 . 811 254 92 ARG H H 9.364 0.00 . 812 254 92 ARG HA H 4.539 0.00 . 813 254 92 ARG HB2 H 1.911 0.00 . 814 254 92 ARG HB3 H 1.716 0.00 . 815 254 92 ARG HG2 H 1.402 0.01 . 816 254 92 ARG HG3 H 1.631 0.01 . 817 254 92 ARG HD3 H 3.187 0.00 . 818 254 92 ARG C C 171.153 0.00 . 819 254 92 ARG CA C 55.078 0.04 . 820 254 92 ARG CB C 32.394 0.08 . 821 254 92 ARG CG C 27.051 0.09 . 822 254 92 ARG CD C 43.663 0.02 . 823 254 92 ARG N N 133.732 0.04 . 824 255 93 ILE H H 8.373 0.00 . 825 255 93 ILE HA H 5.020 0.00 . 826 255 93 ILE HB H 1.901 0.00 . 827 255 93 ILE HG12 H 1.486 0.00 . 828 255 93 ILE HG13 H 1.139 0.00 . 829 255 93 ILE HG2 H 0.979 0.00 . 830 255 93 ILE HD1 H 0.621 0.00 . 831 255 93 ILE C C 174.173 0.00 . 832 255 93 ILE CA C 59.173 0.04 . 833 255 93 ILE CB C 36.729 0.07 . 834 255 93 ILE CG1 C 27.481 0.04 . 835 255 93 ILE CG2 C 17.294 0.06 . 836 255 93 ILE CD1 C 11.148 0.03 . 837 255 93 ILE N N 126.025 0.04 . 838 256 94 THR H H 8.409 0.00 . 839 256 94 THR HA H 4.296 0.00 . 840 256 94 THR HB H 4.309 0.00 . 841 256 94 THR HG2 H 0.945 0.00 . 842 256 94 THR CA C 62.139 0.05 . 843 256 94 THR CB C 70.335 0.05 . 844 256 94 THR CG2 C 22.239 0.07 . 845 256 94 THR N N 127.015 0.03 . stop_ save_