data_25271 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments of the prolyl peptidyl isomerase domain of the ribosome-associated molecular chaperone trigger factor from Escherichia coli ; _BMRB_accession_number 25271 _BMRB_flat_file_name bmr25271.str _Entry_type original _Submission_date 2014-10-07 _Accession_date 2014-10-07 _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 Huang Chih-Ting . . 2 Hsu 'Shang-Te Danny' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 454 "13C chemical shifts" 353 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-11 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 15813 'E. coli Trigger Factor (TF) Ribosome Binding Domain (RBD)' 19835 'E. coli Trigger Factor in complex with unfolded PhoA220-310' 19836 'E. coli Trigger Factor in complex with unfolded PhoA1-150' 5298 PPIase stop_ _Original_release_date 2014-10-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR assignments of the peptidyl-prolyl cis-trans isomerase domain of trigger factor from E. coli. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26527152 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Chih-Ting . . 2 Hsu 'Shang-Te Danny' . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 149 _Page_last 152 _Year 2016 _Details . loop_ _Keyword 'Molecular chaperone' 'Prolyl peptidyl isomerase' Ribosome 'Trigger factor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PPIase _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PPIase $trigger_factor stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Molecular chaperone' 'prolyl peptidyl isomerase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_trigger_factor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common trigger_factor _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Molecular chaperone' 'Prolyl peptidyl isomerase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; QATWKEKDGAVEAEDRVTID FTGSVDGEEFEGGKASDFVL AMGQGRMIPGFEDGIKGHKA GEEFTIDVTFPEEYHAENLK GKAAKFAINLKKVEERELP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 148 GLN 2 149 ALA 3 150 THR 4 151 TRP 5 152 LYS 6 153 GLU 7 154 LYS 8 155 ASP 9 156 GLY 10 157 ALA 11 158 VAL 12 159 GLU 13 160 ALA 14 161 GLU 15 162 ASP 16 163 ARG 17 164 VAL 18 165 THR 19 166 ILE 20 167 ASP 21 168 PHE 22 169 THR 23 170 GLY 24 171 SER 25 172 VAL 26 173 ASP 27 174 GLY 28 175 GLU 29 176 GLU 30 177 PHE 31 178 GLU 32 179 GLY 33 180 GLY 34 181 LYS 35 182 ALA 36 183 SER 37 184 ASP 38 185 PHE 39 186 VAL 40 187 LEU 41 188 ALA 42 189 MET 43 190 GLY 44 191 GLN 45 192 GLY 46 193 ARG 47 194 MET 48 195 ILE 49 196 PRO 50 197 GLY 51 198 PHE 52 199 GLU 53 200 ASP 54 201 GLY 55 202 ILE 56 203 LYS 57 204 GLY 58 205 HIS 59 206 LYS 60 207 ALA 61 208 GLY 62 209 GLU 63 210 GLU 64 211 PHE 65 212 THR 66 213 ILE 67 214 ASP 68 215 VAL 69 216 THR 70 217 PHE 71 218 PRO 72 219 GLU 73 220 GLU 74 221 TYR 75 222 HIS 76 223 ALA 77 224 GLU 78 225 ASN 79 226 LEU 80 227 LYS 81 228 GLY 82 229 LYS 83 230 ALA 84 231 ALA 85 232 LYS 86 233 PHE 87 234 ALA 88 235 ILE 89 236 ASN 90 237 LEU 91 238 LYS 92 239 LYS 93 240 VAL 94 241 GLU 95 242 GLU 96 243 ARG 97 244 GLU 98 245 LEU 99 246 PRO 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 $trigger_factor 'E. coli' 562 Bacteria . Escherichia coli 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 $trigger_factor 'recombinant technology' . Escherichia coli . pET14b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PPIase _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $trigger_factor 0.5 mM '[U-98% 13C; U-98% 15N]' D2O 10 % '[U-100% 2H]' TRIS 20 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRPipe _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_PINE _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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $PPIase save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $PPIase save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $PPIase save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $PPIase save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $PPIase save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $PPIase save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $PPIase 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' 0.1 . M pH 7.6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 water C 13 protons ppm 4.755 internal indirect . . . 0.251449530 water H 1 protons ppm 4.755 internal indirect . . . 1 water N 15 protons ppm 4.755 internal indirect . . . 0.101329118 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY $PINE stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' stop_ loop_ _Sample_label $PPIase stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PPIase _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 1 148 1 GLN C C 175.525 0.000 1 2 149 2 ALA H H 8.280 0.005 1 3 149 2 ALA HA H 4.292 0.000 1 4 149 2 ALA HB H 1.163 0.001 1 5 149 2 ALA C C 176.897 0.000 1 6 149 2 ALA CA C 52.404 0.027 1 7 149 2 ALA CB C 19.543 0.090 1 8 149 2 ALA N N 125.693 0.025 1 9 150 3 THR H H 8.096 0.010 1 10 150 3 THR HA H 4.444 0.000 1 11 150 3 THR HB H 4.153 0.000 1 12 150 3 THR HG2 H 1.126 0.000 1 13 150 3 THR C C 173.166 0.017 1 14 150 3 THR CA C 61.513 0.029 1 15 150 3 THR CB C 70.526 0.018 1 16 150 3 THR CG2 C 21.989 0.044 1 17 150 3 THR N N 114.784 0.009 1 18 151 4 TRP H H 8.380 0.011 1 19 151 4 TRP HA H 5.041 0.000 1 20 151 4 TRP HB2 H 2.891 0.000 1 21 151 4 TRP HB3 H 2.720 0.000 1 22 151 4 TRP HD1 H 7.012 0.000 1 23 151 4 TRP HE1 H 9.845 0.000 1 24 151 4 TRP C C 175.638 0.000 1 25 151 4 TRP CA C 56.364 0.058 1 26 151 4 TRP CB C 32.814 0.046 1 27 151 4 TRP N N 123.061 0.017 1 28 151 4 TRP NE1 N 128.847 0.000 1 29 152 5 LYS H H 9.545 0.011 1 30 152 5 LYS HA H 4.947 0.000 1 31 152 5 LYS HB2 H 1.842 0.000 1 32 152 5 LYS HB3 H 1.689 0.000 1 33 152 5 LYS HG2 H 1.391 0.000 1 34 152 5 LYS C C 175.209 0.000 1 35 152 5 LYS CA C 54.865 0.855 1 36 152 5 LYS CB C 35.961 0.074 1 37 152 5 LYS CG C 23.770 0.000 1 38 152 5 LYS CD C 29.504 0.000 1 39 152 5 LYS N N 121.497 0.017 1 40 153 6 GLU H H 8.856 0.013 1 41 153 6 GLU HA H 4.427 0.000 1 42 153 6 GLU HB2 H 2.434 0.000 1 43 153 6 GLU HB3 H 2.243 0.000 1 44 153 6 GLU HG2 H 2.037 0.000 1 45 153 6 GLU C C 175.465 0.000 1 46 153 6 GLU CA C 58.298 0.004 1 47 153 6 GLU CB C 30.309 0.082 1 48 153 6 GLU N N 123.949 0.021 1 49 154 7 LYS H H 8.818 0.012 1 50 154 7 LYS HA H 4.762 0.000 1 51 154 7 LYS HB2 H 1.679 0.000 1 52 154 7 LYS HG2 H 1.127 0.000 1 53 154 7 LYS HD2 H 1.433 0.000 1 54 154 7 LYS C C 175.019 0.000 1 55 154 7 LYS CA C 54.659 0.017 1 56 154 7 LYS CB C 36.281 0.059 1 57 154 7 LYS CG C 24.161 0.000 1 58 154 7 LYS CD C 29.813 0.000 1 59 154 7 LYS N N 123.925 0.015 1 60 155 8 ASP H H 8.692 0.013 1 61 155 8 ASP HA H 4.875 0.000 1 62 155 8 ASP HB2 H 2.691 0.000 1 63 155 8 ASP C C 176.530 0.000 1 64 155 8 ASP CA C 53.462 0.029 1 65 155 8 ASP CB C 40.654 0.065 1 66 155 8 ASP N N 123.769 0.018 1 67 156 9 GLY H H 7.251 0.014 1 68 156 9 GLY HA2 H 4.169 0.000 1 69 156 9 GLY HA3 H 3.892 0.000 1 70 156 9 GLY C C 171.983 0.000 1 71 156 9 GLY CA C 44.175 0.039 1 72 156 9 GLY N N 106.390 0.016 1 73 157 10 ALA H H 8.214 0.010 1 74 157 10 ALA HA H 4.193 0.000 1 75 157 10 ALA HB H 1.095 0.001 1 76 157 10 ALA C C 178.111 0.000 1 77 157 10 ALA CA C 51.343 0.011 1 78 157 10 ALA CB C 20.200 0.098 1 79 157 10 ALA N N 119.982 0.021 1 80 158 11 VAL H H 8.713 0.012 1 81 158 11 VAL HA H 3.855 0.000 1 82 158 11 VAL HB H 2.095 0.000 1 83 158 11 VAL HG1 H 1.197 0.000 1 84 158 11 VAL HG2 H 1.006 0.000 1 85 158 11 VAL C C 176.874 0.000 1 86 158 11 VAL CA C 64.444 0.000 1 87 158 11 VAL CB C 32.760 0.160 1 88 158 11 VAL CG1 C 25.771 0.013 1 89 158 11 VAL CG2 C 23.744 0.010 1 90 158 11 VAL N N 119.182 0.009 1 91 159 12 GLU H H 9.629 0.010 1 92 159 12 GLU HA H 4.491 0.000 1 93 159 12 GLU HB2 H 1.854 0.000 1 94 159 12 GLU HB3 H 2.198 0.000 1 95 159 12 GLU HG2 H 2.321 0.000 1 96 159 12 GLU CA C 55.021 0.074 1 97 159 12 GLU CB C 32.412 0.071 1 98 159 12 GLU CG C 36.846 0.000 1 99 159 12 GLU N N 132.088 0.014 1 100 160 13 ALA H H 8.261 0.011 1 101 160 13 ALA HA H 3.848 0.000 1 102 160 13 ALA HB H 1.473 0.000 1 103 160 13 ALA C C 177.243 0.000 1 104 160 13 ALA CA C 55.563 0.039 1 105 160 13 ALA CB C 20.035 0.109 1 106 160 13 ALA N N 117.348 0.012 1 107 161 14 GLU H H 8.091 0.010 1 108 161 14 GLU HA H 4.640 0.002 1 109 161 14 GLU HB2 H 1.963 0.000 1 110 161 14 GLU HG2 H 2.457 0.010 1 111 161 14 GLU HG3 H 2.195 0.003 1 112 161 14 GLU C C 177.603 0.000 1 113 161 14 GLU CA C 55.349 0.083 1 114 161 14 GLU CB C 29.575 0.013 1 115 161 14 GLU CG C 37.250 0.014 1 116 161 14 GLU N N 111.955 0.018 1 117 162 15 ASP H H 7.249 0.013 1 118 162 15 ASP HA H 5.210 0.000 1 119 162 15 ASP HB2 H 3.068 0.000 1 120 162 15 ASP HB3 H 2.918 0.152 1 121 162 15 ASP C C 173.122 0.000 1 122 162 15 ASP CA C 55.403 0.000 1 123 162 15 ASP CB C 42.106 0.048 1 124 162 15 ASP N N 122.800 0.011 1 125 163 16 ARG H H 8.856 0.011 1 126 163 16 ARG HA H 5.207 0.000 1 127 163 16 ARG HB2 H 1.040 0.000 1 128 163 16 ARG HG2 H 0.741 0.000 1 129 163 16 ARG HG3 H 0.168 0.000 1 130 163 16 ARG HD2 H 2.357 0.000 1 131 163 16 ARG C C 176.046 0.000 1 132 163 16 ARG CA C 54.760 0.055 1 133 163 16 ARG CB C 34.170 0.094 1 134 163 16 ARG CG C 26.022 0.000 1 135 163 16 ARG CD C 43.759 0.000 1 136 163 16 ARG N N 118.448 0.017 1 137 164 17 VAL H H 8.991 0.010 1 138 164 17 VAL HA H 5.358 0.000 1 139 164 17 VAL HB H 2.150 0.000 1 140 164 17 VAL HG1 H 1.042 0.062 1 141 164 17 VAL HG2 H 1.110 0.001 1 142 164 17 VAL C C 173.671 0.000 1 143 164 17 VAL CA C 58.244 0.041 1 144 164 17 VAL CB C 34.342 0.053 1 145 164 17 VAL CG1 C 19.610 0.009 1 146 164 17 VAL CG2 C 24.224 0.013 1 147 164 17 VAL N N 119.509 0.010 1 148 165 18 THR H H 8.443 0.011 1 149 165 18 THR HB H 3.865 0.000 1 150 165 18 THR HG1 H 5.220 0.000 1 151 165 18 THR HG2 H 0.901 0.000 1 152 165 18 THR C C 174.857 0.000 1 153 165 18 THR CA C 62.058 0.042 1 154 165 18 THR CB C 69.329 0.033 1 155 165 18 THR CG2 C 19.805 0.000 1 156 165 18 THR N N 119.140 0.021 1 157 166 19 ILE H H 9.558 0.011 1 158 166 19 ILE HA H 5.726 0.000 1 159 166 19 ILE HB H 2.067 0.000 1 160 166 19 ILE HG12 H 1.830 0.000 1 161 166 19 ILE HG13 H 1.576 0.000 1 162 166 19 ILE HG2 H 0.966 0.046 1 163 166 19 ILE HD1 H 0.746 0.000 1 164 166 19 ILE C C 174.537 0.000 1 165 166 19 ILE CA C 58.571 0.039 1 166 166 19 ILE CB C 42.769 0.110 1 167 166 19 ILE CG1 C 24.897 0.000 1 168 166 19 ILE CG2 C 19.232 0.000 1 169 166 19 ILE CD1 C 14.294 0.253 1 170 166 19 ILE N N 119.752 0.014 1 171 167 20 ASP H H 8.513 0.012 1 172 167 20 ASP HA H 5.334 0.000 1 173 167 20 ASP HB2 H 2.994 0.000 1 174 167 20 ASP HB3 H 2.608 0.000 1 175 167 20 ASP C C 176.131 0.000 1 176 167 20 ASP CA C 52.685 0.021 1 177 167 20 ASP CB C 42.571 0.053 1 178 167 20 ASP N N 119.058 0.039 1 179 168 21 PHE H H 8.561 0.012 1 180 168 21 PHE HA H 6.062 0.000 1 181 168 21 PHE HB2 H 2.989 0.000 1 182 168 21 PHE HE1 H 6.935 0.000 1 183 168 21 PHE HE2 H 6.935 0.000 1 184 168 21 PHE C C 174.557 0.000 1 185 168 21 PHE CA C 55.960 0.021 1 186 168 21 PHE CB C 43.813 0.047 1 187 168 21 PHE N N 114.749 0.017 1 188 169 22 THR H H 8.511 0.011 1 189 169 22 THR HA H 4.859 0.000 1 190 169 22 THR HB H 4.031 0.000 1 191 169 22 THR HG2 H 1.077 0.000 1 192 169 22 THR C C 174.832 0.000 1 193 169 22 THR CA C 62.333 0.029 1 194 169 22 THR CB C 71.648 0.036 1 195 169 22 THR CG2 C 21.514 0.000 1 196 169 22 THR N N 114.879 0.023 1 197 170 23 GLY H H 9.419 0.012 1 198 170 23 GLY HA2 H 4.709 0.000 1 199 170 23 GLY HA3 H 2.598 0.000 1 200 170 23 GLY C C 172.455 0.000 1 201 170 23 GLY CA C 44.945 0.061 1 202 170 23 GLY N N 119.332 0.012 1 203 171 24 SER H H 8.947 0.011 1 204 171 24 SER HA H 5.015 0.000 1 205 171 24 SER HB2 H 3.289 0.000 1 206 171 24 SER HB3 H 3.551 0.000 1 207 171 24 SER C C 172.985 0.000 1 208 171 24 SER CA C 57.544 0.036 1 209 171 24 SER CB C 66.259 0.018 1 210 171 24 SER N N 115.195 0.018 1 211 172 25 VAL H H 8.904 0.011 1 212 172 25 VAL HA H 4.455 0.000 1 213 172 25 VAL HB H 1.858 0.000 1 214 172 25 VAL HG1 H 0.778 0.001 1 215 172 25 VAL HG2 H 0.877 0.002 1 216 172 25 VAL C C 176.186 0.000 1 217 172 25 VAL CA C 61.510 0.036 1 218 172 25 VAL CB C 34.636 0.029 1 219 172 25 VAL CG1 C 21.492 0.046 1 220 172 25 VAL CG2 C 21.473 0.000 1 221 172 25 VAL N N 120.651 0.015 1 222 173 26 ASP H H 9.578 0.011 1 223 173 26 ASP HA H 4.287 0.000 1 224 173 26 ASP HB2 H 2.990 0.000 1 225 173 26 ASP HB3 H 2.700 0.000 1 226 173 26 ASP C C 175.875 0.000 1 227 173 26 ASP CA C 55.725 0.004 1 228 173 26 ASP CB C 39.727 0.081 1 229 173 26 ASP N N 129.255 0.016 1 230 174 27 GLY H H 8.592 0.011 1 231 174 27 GLY HA2 H 4.199 0.000 1 232 174 27 GLY HA3 H 3.569 0.000 1 233 174 27 GLY C C 173.859 0.000 1 234 174 27 GLY CA C 45.431 0.061 1 235 174 27 GLY N N 102.241 0.028 1 236 175 28 GLU H H 7.890 0.012 1 237 175 28 GLU HA H 4.698 0.000 1 238 175 28 GLU HB2 H 2.189 0.000 1 239 175 28 GLU HB3 H 1.978 0.000 1 240 175 28 GLU HG2 H 2.325 0.000 1 241 175 28 GLU HG3 H 2.187 0.000 1 242 175 28 GLU C C 176.080 0.000 1 243 175 28 GLU CA C 54.813 0.053 1 244 175 28 GLU CB C 32.135 0.073 1 245 175 28 GLU CG C 35.895 0.000 1 246 175 28 GLU N N 120.502 0.010 1 247 176 29 GLU H H 8.750 0.013 1 248 176 29 GLU HA H 4.432 0.000 1 249 176 29 GLU HB2 H 1.970 0.000 1 250 176 29 GLU HB3 H 1.834 0.000 1 251 176 29 GLU HG2 H 2.258 0.000 1 252 176 29 GLU HG3 H 2.076 0.000 1 253 176 29 GLU C C 175.843 0.000 1 254 176 29 GLU CA C 57.027 0.045 1 255 176 29 GLU CB C 30.272 0.080 1 256 176 29 GLU CG C 36.677 0.000 1 257 176 29 GLU N N 124.889 0.020 1 258 177 30 PHE H H 7.196 0.013 1 259 177 30 PHE HA H 5.061 0.000 1 260 177 30 PHE HB2 H 3.096 0.000 1 261 177 30 PHE HB3 H 2.969 0.000 1 262 177 30 PHE HD1 H 6.990 0.000 1 263 177 30 PHE HD2 H 6.990 0.000 1 264 177 30 PHE HE1 H 7.058 0.000 1 265 177 30 PHE HE2 H 7.058 0.000 1 266 177 30 PHE C C 175.468 0.000 1 267 177 30 PHE CA C 54.441 0.094 1 268 177 30 PHE CB C 41.562 0.131 1 269 177 30 PHE N N 116.664 0.014 1 270 178 31 GLU H H 9.016 0.011 1 271 178 31 GLU CA C 58.132 0.000 1 272 178 31 GLU CB C 29.362 0.000 1 273 178 31 GLU N N 124.593 0.020 1 274 179 32 GLY HA2 H 4.419 0.000 1 275 179 32 GLY HA3 H 3.956 0.000 1 276 179 32 GLY C C 175.951 0.000 1 277 179 32 GLY CA C 45.668 0.037 1 278 180 33 GLY H H 7.892 0.012 1 279 180 33 GLY HA2 H 4.127 0.000 1 280 180 33 GLY HA3 H 2.819 0.000 1 281 180 33 GLY C C 172.102 0.000 1 282 180 33 GLY CA C 46.567 0.061 1 283 180 33 GLY N N 107.616 0.023 1 284 181 34 LYS H H 7.482 0.012 1 285 181 34 LYS HA H 5.235 0.000 1 286 181 34 LYS HB2 H 1.680 0.000 1 287 181 34 LYS HG2 H 1.491 0.000 1 288 181 34 LYS HG3 H 1.219 0.000 1 289 181 34 LYS HD2 H 1.691 0.000 1 290 181 34 LYS HE2 H 2.855 0.000 1 291 181 34 LYS C C 175.115 0.000 1 292 181 34 LYS CA C 54.535 0.030 1 293 181 34 LYS CB C 36.004 0.059 1 294 181 34 LYS CG C 24.603 0.000 1 295 181 34 LYS CD C 29.453 0.000 1 296 181 34 LYS CE C 42.202 0.000 1 297 181 34 LYS N N 118.917 0.010 1 298 182 35 ALA H H 8.031 0.012 1 299 182 35 ALA HA H 4.301 0.000 1 300 182 35 ALA HB H 0.611 0.001 1 301 182 35 ALA C C 175.937 0.000 1 302 182 35 ALA CA C 51.849 0.124 1 303 182 35 ALA CB C 23.112 0.081 1 304 182 35 ALA N N 125.489 0.016 1 305 183 36 SER H H 8.367 0.010 1 306 183 36 SER HA H 5.093 0.000 1 307 183 36 SER HB2 H 3.653 0.000 1 308 183 36 SER HB3 H 3.521 0.000 1 309 183 36 SER C C 173.228 0.000 1 310 183 36 SER CA C 56.421 0.063 1 311 183 36 SER CB C 65.429 0.047 1 312 183 36 SER N N 115.513 0.015 1 313 184 37 ASP H H 9.621 0.010 1 314 184 37 ASP HA H 3.781 0.000 1 315 184 37 ASP HB2 H 2.565 0.000 1 316 184 37 ASP HB3 H 2.565 0.000 1 317 184 37 ASP C C 173.762 0.000 1 318 184 37 ASP CA C 56.181 0.039 1 319 184 37 ASP CB C 39.634 0.053 1 320 184 37 ASP N N 123.542 0.019 1 321 185 38 PHE H H 9.135 0.012 1 322 185 38 PHE HA H 4.401 0.000 1 323 185 38 PHE HB2 H 3.256 0.000 1 324 185 38 PHE HB3 H 2.647 0.000 1 325 185 38 PHE HD1 H 6.691 0.000 1 326 185 38 PHE HD2 H 6.691 0.000 1 327 185 38 PHE HE1 H 7.090 0.000 1 328 185 38 PHE HE2 H 7.090 0.000 1 329 185 38 PHE C C 174.397 0.000 1 330 185 38 PHE CA C 57.909 0.074 1 331 185 38 PHE CB C 40.287 0.054 1 332 185 38 PHE N N 121.435 0.016 1 333 186 39 VAL H H 7.867 0.012 1 334 186 39 VAL HA H 4.469 0.000 1 335 186 39 VAL HB H 1.631 0.000 1 336 186 39 VAL HG1 H 0.787 0.000 1 337 186 39 VAL HG2 H 0.406 0.001 1 338 186 39 VAL C C 174.342 0.000 1 339 186 39 VAL CA C 62.098 0.010 1 340 186 39 VAL CB C 31.400 0.110 1 341 186 39 VAL CG1 C 20.877 0.069 1 342 186 39 VAL CG2 C 20.635 0.000 1 343 186 39 VAL N N 129.323 0.013 1 344 187 40 LEU H H 9.300 0.013 1 345 187 40 LEU HA H 4.373 0.000 1 346 187 40 LEU HB2 H 1.924 0.000 1 347 187 40 LEU HB3 H 1.187 0.000 1 348 187 40 LEU HG H 1.299 0.000 1 349 187 40 LEU HD1 H 0.919 0.007 1 350 187 40 LEU HD2 H 0.938 0.008 1 351 187 40 LEU C C 173.707 0.000 1 352 187 40 LEU CA C 53.070 0.018 1 353 187 40 LEU CB C 44.611 0.054 1 354 187 40 LEU CD1 C 25.979 0.048 1 355 187 40 LEU CD2 C 23.239 0.027 1 356 187 40 LEU N N 131.186 0.033 1 357 188 41 ALA H H 8.539 0.012 1 358 188 41 ALA HA H 4.259 0.000 1 359 188 41 ALA HB H 1.231 0.000 1 360 188 41 ALA C C 175.718 0.000 1 361 188 41 ALA CA C 51.984 0.020 1 362 188 41 ALA CB C 16.902 0.061 1 363 188 41 ALA N N 132.383 0.031 1 364 189 42 MET H H 8.568 0.012 1 365 189 42 MET HA H 4.185 0.000 1 366 189 42 MET HB2 H 2.618 0.000 1 367 189 42 MET HB3 H 2.255 0.000 1 368 189 42 MET HG2 H 2.088 0.000 1 369 189 42 MET HE H 1.979 0.000 1 370 189 42 MET C C 177.644 0.000 1 371 189 42 MET CA C 57.007 0.051 1 372 189 42 MET CB C 33.446 0.020 1 373 189 42 MET CG C 31.158 0.000 1 374 189 42 MET CE C 17.023 0.000 1 375 189 42 MET N N 125.193 0.023 1 376 190 43 GLY H H 10.170 0.012 1 377 190 43 GLY HA2 H 4.264 0.000 1 378 190 43 GLY HA3 H 3.895 0.000 1 379 190 43 GLY C C 173.837 1.990 1 380 190 43 GLY CA C 46.467 0.058 1 381 190 43 GLY N N 109.858 0.014 1 382 191 44 GLN H H 9.016 0.011 1 383 191 44 GLN HA H 4.604 0.000 1 384 191 44 GLN HB2 H 2.467 0.000 1 385 191 44 GLN HB3 H 1.819 0.000 1 386 191 44 GLN HG2 H 2.270 0.000 1 387 191 44 GLN HG3 H 2.241 0.000 1 388 191 44 GLN HE21 H 7.562 0.000 1 389 191 44 GLN HE22 H 6.910 0.000 1 390 191 44 GLN C C 176.967 0.000 1 391 191 44 GLN CA C 54.276 0.042 1 392 191 44 GLN CB C 29.484 0.092 1 393 191 44 GLN CG C 33.354 0.000 1 394 191 44 GLN N N 118.522 0.005 1 395 191 44 GLN NE2 N 113.215 0.005 1 396 192 45 GLY H H 9.111 0.013 1 397 192 45 GLY HA2 H 3.979 0.000 1 398 192 45 GLY C C 175.818 0.000 1 399 192 45 GLY CA C 46.580 0.034 1 400 192 45 GLY N N 111.072 0.019 1 401 193 46 ARG H H 8.308 0.005 1 402 193 46 ARG HA H 4.137 0.000 1 403 193 46 ARG HB2 H 1.846 0.000 1 404 193 46 ARG HB3 H 1.695 0.000 1 405 193 46 ARG HG2 H 1.166 0.000 1 406 193 46 ARG C C 173.291 0.000 1 407 193 46 ARG CA C 57.879 0.000 1 408 193 46 ARG CB C 30.849 0.000 1 409 193 46 ARG CG C 27.695 0.000 1 410 193 46 ARG N N 117.871 0.030 1 411 194 47 MET H H 7.987 0.011 1 412 194 47 MET HA H 4.864 0.000 1 413 194 47 MET HB2 H 2.321 0.000 1 414 194 47 MET HB3 H 1.951 0.000 1 415 194 47 MET HG2 H 1.950 0.000 1 416 194 47 MET HE H 1.070 0.430 1 417 194 47 MET C C 175.616 0.000 1 418 194 47 MET CA C 51.938 0.077 1 419 194 47 MET CB C 34.498 0.036 1 420 194 47 MET CG C 32.110 0.000 1 421 194 47 MET CE C 16.014 0.000 1 422 194 47 MET N N 114.840 0.428 1 423 195 48 ILE H H 7.604 0.012 1 424 195 48 ILE HA H 4.420 0.000 1 425 195 48 ILE HB H 1.885 0.000 1 426 195 48 ILE HG12 H 1.274 0.000 1 427 195 48 ILE HG2 H 1.014 0.000 1 428 195 48 ILE HD1 H 0.288 0.000 1 429 195 48 ILE CA C 60.297 0.107 1 430 195 48 ILE CB C 37.250 0.097 1 431 195 48 ILE CG2 C 18.513 0.000 1 432 195 48 ILE CD1 C 13.723 0.002 1 433 195 48 ILE N N 115.703 0.021 1 434 197 50 GLY HA2 H 4.351 0.000 1 435 197 50 GLY HA3 H 3.737 0.000 1 436 197 50 GLY C C 175.424 0.000 1 437 197 50 GLY CA C 45.955 0.040 1 438 198 51 PHE H H 7.763 0.012 1 439 198 51 PHE HD1 H 6.193 0.000 1 440 198 51 PHE HD2 H 6.193 0.000 1 441 198 51 PHE HE1 H 6.191 0.000 1 442 198 51 PHE HE2 H 6.191 0.000 1 443 198 51 PHE CA C 61.128 0.000 1 444 198 51 PHE CB C 40.706 0.043 1 445 198 51 PHE N N 122.790 0.019 1 446 199 52 GLU C C 179.371 0.000 1 447 199 52 GLU CA C 60.284 0.000 1 448 199 52 GLU CB C 29.165 0.000 1 449 200 53 ASP H H 8.332 0.005 1 450 200 53 ASP HA H 4.196 0.000 1 451 200 53 ASP HB2 H 2.640 0.000 1 452 200 53 ASP HB3 H 2.507 0.000 1 453 200 53 ASP C C 177.912 0.000 1 454 200 53 ASP CA C 57.327 0.011 1 455 200 53 ASP CB C 40.380 0.052 1 456 200 53 ASP N N 117.342 0.045 1 457 201 54 GLY H H 7.385 0.013 1 458 201 54 GLY HA2 H 4.114 0.000 1 459 201 54 GLY HA3 H 3.587 0.000 1 460 201 54 GLY C C 173.558 0.000 1 461 201 54 GLY CA C 46.186 0.048 1 462 201 54 GLY N N 103.263 0.025 1 463 202 55 ILE H H 7.315 0.012 1 464 202 55 ILE HA H 3.855 0.000 1 465 202 55 ILE HB H 1.933 0.000 1 466 202 55 ILE HG2 H 1.140 0.000 1 467 202 55 ILE HD1 H 1.025 0.000 1 468 202 55 ILE C C 175.929 0.000 1 469 202 55 ILE CA C 63.203 0.057 1 470 202 55 ILE CB C 38.741 0.020 1 471 202 55 ILE CG1 C 29.040 0.000 1 472 202 55 ILE CG2 C 18.862 0.000 1 473 202 55 ILE CD1 C 14.356 0.223 1 474 202 55 ILE N N 118.839 0.012 1 475 203 56 LYS H H 6.976 0.015 1 476 203 56 LYS HA H 3.556 0.000 1 477 203 56 LYS HB2 H 1.736 0.000 1 478 203 56 LYS HB3 H 1.727 0.000 1 479 203 56 LYS HG2 H 1.091 0.000 1 480 203 56 LYS HD2 H 1.592 0.000 1 481 203 56 LYS HD3 H 1.612 0.000 1 482 203 56 LYS C C 176.467 0.000 1 483 203 56 LYS CA C 58.826 0.235 1 484 203 56 LYS CB C 32.481 0.071 1 485 203 56 LYS CG C 25.998 0.000 1 486 203 56 LYS CD C 29.762 0.000 1 487 203 56 LYS N N 117.467 0.044 1 488 204 57 GLY H H 8.888 0.013 1 489 204 57 GLY HA2 H 4.167 0.000 1 490 204 57 GLY HA3 H 3.469 0.000 1 491 204 57 GLY C C 174.225 0.000 1 492 204 57 GLY CA C 45.256 0.036 1 493 204 57 GLY N N 109.257 0.022 1 494 205 58 HIS H H 7.488 0.011 1 495 205 58 HIS HA H 4.612 0.000 1 496 205 58 HIS HB2 H 2.835 0.000 1 497 205 58 HIS HD2 H 6.569 0.000 1 498 205 58 HIS C C 172.000 0.000 1 499 205 58 HIS CA C 55.822 0.017 1 500 205 58 HIS CB C 30.439 0.062 1 501 205 58 HIS N N 117.817 0.010 1 502 206 59 LYS H H 8.589 0.011 1 503 206 59 LYS HA H 4.673 0.000 1 504 206 59 LYS HB2 H 1.770 0.000 1 505 206 59 LYS HB3 H 1.638 0.000 1 506 206 59 LYS HG2 H 1.304 0.000 1 507 206 59 LYS HG3 H 1.144 0.000 1 508 206 59 LYS HE2 H 2.938 0.000 1 509 206 59 LYS C C 174.819 0.000 1 510 206 59 LYS CA C 54.782 0.108 1 511 206 59 LYS CB C 36.296 0.056 1 512 206 59 LYS CG C 24.766 0.000 1 513 206 59 LYS CD C 29.352 0.000 1 514 206 59 LYS N N 117.928 0.015 1 515 207 60 ALA H H 8.729 0.013 1 516 207 60 ALA HA H 3.855 0.000 1 517 207 60 ALA HB H 1.377 0.000 1 518 207 60 ALA C C 178.375 0.000 1 519 207 60 ALA CA C 53.903 0.114 1 520 207 60 ALA CB C 18.052 0.082 1 521 207 60 ALA N N 121.035 0.019 1 522 208 61 GLY H H 9.164 0.011 1 523 208 61 GLY HA2 H 4.456 0.000 1 524 208 61 GLY HA3 H 3.819 0.000 1 525 208 61 GLY C C 174.874 0.000 1 526 208 61 GLY CA C 44.802 0.060 1 527 208 61 GLY N N 110.662 0.009 1 528 209 62 GLU H H 7.894 0.012 1 529 209 62 GLU HA H 4.602 0.000 1 530 209 62 GLU HB2 H 2.578 0.000 1 531 209 62 GLU HG2 H 2.569 0.000 1 532 209 62 GLU HG3 H 2.330 0.000 1 533 209 62 GLU C C 174.653 0.000 1 534 209 62 GLU CA C 57.334 0.067 1 535 209 62 GLU CB C 32.621 0.096 1 536 209 62 GLU CG C 38.283 0.000 1 537 209 62 GLU N N 119.763 0.015 1 538 210 63 GLU H H 8.254 0.010 1 539 210 63 GLU HA H 5.372 0.000 1 540 210 63 GLU HB2 H 1.977 0.000 1 541 210 63 GLU HB3 H 1.900 0.000 1 542 210 63 GLU HG2 H 2.145 0.000 1 543 210 63 GLU HG3 H 2.062 0.000 1 544 210 63 GLU C C 175.858 0.000 1 545 210 63 GLU CA C 54.790 0.060 1 546 210 63 GLU CB C 32.559 0.035 1 547 210 63 GLU CG C 36.839 0.000 1 548 210 63 GLU N N 119.720 0.026 1 549 211 64 PHE H H 8.252 0.011 1 550 211 64 PHE HA H 4.979 0.000 1 551 211 64 PHE HB2 H 3.171 0.000 1 552 211 64 PHE HB3 H 2.942 0.000 1 553 211 64 PHE HD1 H 6.772 0.000 1 554 211 64 PHE HD2 H 6.772 0.000 1 555 211 64 PHE HE1 H 6.497 0.000 1 556 211 64 PHE HE2 H 6.497 0.000 1 557 211 64 PHE C C 172.67 58.437 1 558 211 64 PHE CA C 55.912 0.024 1 559 211 64 PHE CB C 39.002 0.059 1 560 211 64 PHE N N 120.291 0.021 1 561 212 65 THR H H 8.692 0.013 1 562 212 65 THR HA H 5.524 0.000 1 563 212 65 THR HB H 3.932 0.000 1 564 212 65 THR HG2 H 1.092 0.000 1 565 212 65 THR C C 174.647 0.000 1 566 212 65 THR CA C 60.798 0.081 1 567 212 65 THR CB C 71.147 0.025 1 568 212 65 THR CG2 C 21.886 0.006 1 569 212 65 THR N N 115.221 0.018 1 570 213 66 ILE H H 8.952 0.011 1 571 213 66 ILE HA H 4.820 0.000 1 572 213 66 ILE HB H 1.863 0.000 1 573 213 66 ILE HG12 H 1.344 0.000 1 574 213 66 ILE HG2 H 0.861 0.000 1 575 213 66 ILE HD1 H 0.202 0.000 1 576 213 66 ILE C C 173.529 0.000 1 577 213 66 ILE CA C 59.503 0.052 1 578 213 66 ILE CB C 41.347 0.014 1 579 213 66 ILE CG1 C 26.367 0.000 1 580 213 66 ILE CG2 C 18.291 0.000 1 581 213 66 ILE CD1 C 14.500 0.003 1 582 213 66 ILE N N 119.559 0.009 1 583 214 67 ASP H H 8.443 0.010 1 584 214 67 ASP HA H 5.438 0.000 1 585 214 67 ASP HB2 H 2.634 0.000 1 586 214 67 ASP HB3 H 2.487 0.000 1 587 214 67 ASP C C 175.532 0.000 1 588 214 67 ASP CA C 53.910 0.115 1 589 214 67 ASP CB C 43.047 0.059 1 590 214 67 ASP N N 123.122 0.038 1 591 215 68 VAL H H 8.584 0.012 1 592 215 68 VAL HA H 4.506 0.000 1 593 215 68 VAL HB H 1.874 0.000 1 594 215 68 VAL HG1 H 0.621 0.010 1 595 215 68 VAL HG2 H 0.605 0.015 1 596 215 68 VAL C C 173.830 0.000 1 597 215 68 VAL CA C 59.859 0.036 1 598 215 68 VAL CB C 36.350 0.030 1 599 215 68 VAL CG1 C 21.297 0.486 1 600 215 68 VAL CG2 C 21.291 0.438 1 601 215 68 VAL N N 118.458 0.015 1 602 216 69 THR H H 8.545 0.011 1 603 216 69 THR HA H 4.929 0.000 1 604 216 69 THR HB H 3.777 0.000 1 605 216 69 THR HG1 H 4.935 0.000 1 606 216 69 THR HG2 H 0.992 0.000 1 607 216 69 THR C C 174.378 0.000 1 608 216 69 THR CA C 61.310 0.031 1 609 216 69 THR CB C 70.263 0.012 1 610 216 69 THR CG2 C 21.348 0.000 1 611 216 69 THR N N 120.033 0.012 1 612 217 70 PHE H H 8.890 0.012 1 613 217 70 PHE HA H 4.091 0.000 1 614 217 70 PHE HB2 H 3.235 0.000 1 615 217 70 PHE HB3 H 2.214 0.000 1 616 217 70 PHE HD1 H 6.747 0.000 1 617 217 70 PHE HD2 H 6.747 0.000 1 618 217 70 PHE HE1 H 6.410 0.000 1 619 217 70 PHE HE2 H 6.410 0.000 1 620 217 70 PHE CA C 58.032 0.067 1 621 217 70 PHE CB C 39.266 0.074 1 622 217 70 PHE N N 127.396 0.044 1 623 218 71 PRO HA H 4.511 0.000 1 624 218 71 PRO HB2 H 2.130 0.000 1 625 218 71 PRO HG2 H 2.288 0.000 1 626 218 71 PRO HD2 H 2.588 0.000 1 627 218 71 PRO C C 177.477 0.000 1 628 218 71 PRO CA C 62.773 0.000 1 629 218 71 PRO CB C 32.674 0.000 1 630 218 71 PRO CG C 27.634 0.000 1 631 219 72 GLU H H 8.924 0.002 1 632 219 72 GLU HA H 3.877 0.000 1 633 219 72 GLU HB2 H 2.034 0.000 1 634 219 72 GLU HG2 H 2.362 0.000 1 635 219 72 GLU C C 176.934 0.000 1 636 219 72 GLU CA C 59.507 0.018 1 637 219 72 GLU CB C 29.622 0.000 1 638 219 72 GLU CG C 36.588 0.000 1 639 219 72 GLU N N 123.093 0.021 1 640 220 73 GLU H H 8.184 0.010 1 641 220 73 GLU HA H 4.496 0.000 1 642 220 73 GLU HB2 H 2.139 0.000 1 643 220 73 GLU HB3 H 1.936 0.000 1 644 220 73 GLU HG2 H 2.137 0.000 1 645 220 73 GLU HG3 H 2.244 0.000 1 646 220 73 GLU C C 175.325 0.000 1 647 220 73 GLU CA C 55.489 0.062 1 648 220 73 GLU CB C 28.525 0.096 1 649 220 73 GLU CG C 36.106 0.000 1 650 220 73 GLU N N 114.629 0.017 1 651 221 74 TYR H H 7.413 0.012 1 652 221 74 TYR HA H 4.418 0.000 1 653 221 74 TYR HB2 H 3.384 0.000 1 654 221 74 TYR HB3 H 2.350 0.000 1 655 221 74 TYR HD1 H 7.289 0.000 1 656 221 74 TYR HD2 H 7.289 0.000 1 657 221 74 TYR HE1 H 7.151 0.000 1 658 221 74 TYR HE2 H 7.151 0.000 1 659 221 74 TYR C C 175.178 0.000 1 660 221 74 TYR CA C 59.352 0.029 1 661 221 74 TYR CB C 40.352 0.082 1 662 221 74 TYR N N 122.058 0.012 1 663 222 75 HIS H H 6.763 0.008 1 664 222 75 HIS HA H 4.104 0.000 1 665 222 75 HIS HB2 H 3.001 0.000 1 666 222 75 HIS HB3 H 2.849 0.000 1 667 222 75 HIS HD1 H 6.631 0.000 1 668 222 75 HIS HE1 H 6.633 0.000 1 669 222 75 HIS C C 174.690 0.000 1 670 222 75 HIS CA C 58.529 0.026 1 671 222 75 HIS CB C 30.009 0.056 1 672 222 75 HIS N N 120.614 0.011 1 673 223 76 ALA H H 5.488 0.014 1 674 223 76 ALA HA H 4.521 0.000 1 675 223 76 ALA HB H 1.125 0.000 1 676 223 76 ALA C C 177.148 0.000 1 677 223 76 ALA CA C 50.845 0.100 1 678 223 76 ALA CB C 18.517 0.076 1 679 223 76 ALA N N 122.751 0.017 1 680 224 77 GLU H H 8.919 0.010 1 681 224 77 GLU HA H 3.755 0.000 1 682 224 77 GLU HB2 H 2.048 0.000 1 683 224 77 GLU HB3 H 2.051 0.000 1 684 224 77 GLU HG2 H 2.303 0.000 1 685 224 77 GLU HG3 H 2.308 0.000 1 686 224 77 GLU C C 177.091 0.085 1 687 224 77 GLU CA C 59.783 0.063 1 688 224 77 GLU CB C 29.695 0.094 1 689 224 77 GLU CG C 35.925 0.000 1 690 224 77 GLU N N 126.908 0.034 1 691 225 78 ASN H H 8.708 0.013 1 692 225 78 ASN HA H 4.425 0.000 1 693 225 78 ASN HB2 H 2.746 0.000 1 694 225 78 ASN HB3 H 2.747 0.000 1 695 225 78 ASN HD21 H 7.639 0.000 1 696 225 78 ASN HD22 H 6.848 0.000 1 697 225 78 ASN C C 174.481 0.000 1 698 225 78 ASN CA C 54.467 0.145 1 699 225 78 ASN CB C 36.929 0.051 1 700 225 78 ASN N N 112.797 0.021 1 701 225 78 ASN ND2 N 113.124 0.003 1 702 226 79 LEU H H 7.076 0.012 1 703 226 79 LEU HA H 4.048 0.000 1 704 226 79 LEU HB2 H 0.898 0.000 1 705 226 79 LEU HD1 H -0.208 0.000 1 706 226 79 LEU HD2 H 0.123 0.010 1 707 226 79 LEU C C 174.505 0.000 1 708 226 79 LEU CA C 54.177 0.076 1 709 226 79 LEU CB C 43.509 0.065 1 710 226 79 LEU CG C 25.130 0.000 1 711 226 79 LEU CD1 C 21.398 0.063 1 712 226 79 LEU CD2 C 25.094 0.000 1 713 226 79 LEU N N 117.294 0.010 1 714 227 80 LYS H H 6.988 0.012 1 715 227 80 LYS HA H 3.802 0.000 1 716 227 80 LYS HB2 H 1.843 0.000 1 717 227 80 LYS HB3 H 1.849 0.000 1 718 227 80 LYS HG2 H 1.509 0.000 1 719 227 80 LYS HG3 H 1.498 0.000 1 720 227 80 LYS C C 177.164 0.000 1 721 227 80 LYS CA C 58.328 0.100 1 722 227 80 LYS CB C 32.626 0.077 1 723 227 80 LYS CG C 24.075 0.000 1 724 227 80 LYS CD C 30.016 0.000 1 725 227 80 LYS N N 117.322 0.034 1 726 228 81 GLY H H 7.117 0.013 1 727 228 81 GLY HA2 H 3.992 0.000 1 728 228 81 GLY HA3 H 3.696 0.000 1 729 228 81 GLY C C 173.992 0.000 1 730 228 81 GLY CA C 46.212 0.052 1 731 228 81 GLY N N 111.171 0.016 1 732 229 82 LYS H H 7.852 0.011 1 733 229 82 LYS HA H 4.356 0.000 1 734 229 82 LYS HB2 H 1.879 0.000 1 735 229 82 LYS HG2 H 1.329 0.000 1 736 229 82 LYS HG3 H 1.145 0.000 1 737 229 82 LYS HD2 H 1.613 0.000 1 738 229 82 LYS C C 175.780 0.000 1 739 229 82 LYS CA C 55.816 0.032 1 740 229 82 LYS CB C 33.196 0.064 1 741 229 82 LYS CG C 25.177 0.000 1 742 229 82 LYS CD C 28.855 0.000 1 743 229 82 LYS N N 119.255 0.010 1 744 230 83 ALA H H 8.281 0.010 1 745 230 83 ALA HA H 4.802 0.000 1 746 230 83 ALA HB H 1.399 0.000 1 747 230 83 ALA C C 176.464 0.000 1 748 230 83 ALA CA C 52.076 0.036 1 749 230 83 ALA CB C 18.983 0.067 1 750 230 83 ALA N N 123.708 0.019 1 751 231 84 ALA H H 9.250 0.011 1 752 231 84 ALA HA H 5.195 0.000 1 753 231 84 ALA HB H 1.214 0.000 1 754 231 84 ALA C C 176.397 0.000 1 755 231 84 ALA CA C 50.447 0.038 1 756 231 84 ALA CB C 24.290 0.069 1 757 231 84 ALA N N 126.491 0.014 1 758 232 85 LYS H H 8.624 0.011 1 759 232 85 LYS HB2 H 1.567 0.000 1 760 232 85 LYS HG2 H 1.413 0.000 1 761 232 85 LYS HD2 H 1.572 0.000 1 762 232 85 LYS C C 176.147 0.000 1 763 232 85 LYS CA C 54.507 0.040 1 764 232 85 LYS CB C 36.034 0.060 1 765 232 85 LYS CG C 24.860 0.000 1 766 232 85 LYS CD C 29.255 0.000 1 767 232 85 LYS N N 120.563 0.008 1 768 233 86 PHE H H 9.103 0.010 1 769 233 86 PHE HA H 5.254 0.000 1 770 233 86 PHE HB2 H 2.632 0.000 1 771 233 86 PHE HB3 H 2.437 0.000 1 772 233 86 PHE HD1 H 7.187 0.000 1 773 233 86 PHE HD2 H 7.187 0.000 1 774 233 86 PHE HE1 H 6.963 0.000 1 775 233 86 PHE HE2 H 6.963 0.000 1 776 233 86 PHE C C 174.034 0.000 1 777 233 86 PHE CA C 56.922 0.102 1 778 233 86 PHE CB C 42.441 0.085 1 779 233 86 PHE N N 119.236 0.020 1 780 234 87 ALA H H 8.603 0.012 1 781 234 87 ALA HA H 4.667 0.000 1 782 234 87 ALA HB H 1.339 0.000 1 783 234 87 ALA C C 176.717 0.000 1 784 234 87 ALA CA C 51.925 0.011 1 785 234 87 ALA CB C 18.823 0.064 1 786 234 87 ALA N N 127.703 0.029 1 787 235 88 ILE H H 9.097 0.009 1 788 235 88 ILE HA H 4.725 0.000 1 789 235 88 ILE HB H 1.000 0.000 1 790 235 88 ILE HG13 H 0.875 0.000 1 791 235 88 ILE HG2 H 0.490 0.000 1 792 235 88 ILE HD1 H 0.272 0.000 1 793 235 88 ILE C C 174.882 0.385 1 794 235 88 ILE CA C 58.978 0.083 1 795 235 88 ILE CB C 38.478 0.031 1 796 235 88 ILE CG1 C 27.375 0.000 1 797 235 88 ILE CG2 C 17.897 0.000 1 798 235 88 ILE CD1 C 12.470 0.043 1 799 235 88 ILE N N 126.159 0.024 1 800 236 89 ASN H H 8.562 0.012 1 801 236 89 ASN HA H 4.985 0.000 1 802 236 89 ASN HB2 H 2.840 0.000 1 803 236 89 ASN HB3 H 2.686 0.000 1 804 236 89 ASN HD21 H 7.490 0.000 1 805 236 89 ASN HD22 H 6.610 0.002 1 806 236 89 ASN C C 174.479 0.000 1 807 236 89 ASN CA C 52.172 0.019 1 808 236 89 ASN CB C 40.193 0.018 1 809 236 89 ASN CG C 175.293 0.000 1 810 236 89 ASN N N 124.162 0.019 1 811 236 89 ASN ND2 N 109.020 0.001 1 812 237 90 LEU H H 8.575 0.012 1 813 237 90 LEU HA H 4.694 0.000 1 814 237 90 LEU HB2 H 1.268 0.000 1 815 237 90 LEU HD1 H 0.831 0.006 1 816 237 90 LEU HD2 H 0.922 0.000 1 817 237 90 LEU C C 174.259 0.000 1 818 237 90 LEU CA C 54.632 0.071 1 819 237 90 LEU CB C 42.847 0.097 1 820 237 90 LEU CG C 27.026 0.000 1 821 237 90 LEU CD1 C 27.084 0.000 1 822 237 90 LEU CD2 C 25.002 0.016 1 823 237 90 LEU N N 127.351 0.023 1 824 238 91 LYS H H 8.643 0.012 1 825 238 91 LYS HA H 4.351 0.000 1 826 238 91 LYS HB2 H 1.828 0.000 1 827 238 91 LYS HG2 H 1.214 0.000 1 828 238 91 LYS HD2 H 1.443 0.000 1 829 238 91 LYS C C 176.881 0.000 1 830 238 91 LYS CA C 58.364 0.030 1 831 238 91 LYS CB C 33.554 0.047 1 832 238 91 LYS CG C 25.284 0.000 1 833 238 91 LYS CD C 29.219 0.000 1 834 238 91 LYS N N 127.338 0.041 1 835 239 92 LYS H H 7.590 0.010 1 836 239 92 LYS HA H 4.461 0.000 1 837 239 92 LYS HB2 H 1.752 0.000 1 838 239 92 LYS HB3 H 1.580 0.000 1 839 239 92 LYS HG2 H 1.322 0.000 1 840 239 92 LYS HD2 H 1.510 0.000 1 841 239 92 LYS C C 173.005 0.000 1 842 239 92 LYS CA C 56.707 0.046 1 843 239 92 LYS CB C 36.331 0.054 1 844 239 92 LYS CG C 25.199 0.000 1 845 239 92 LYS CD C 29.296 0.000 1 846 239 92 LYS N N 117.693 0.014 1 847 240 93 VAL H H 9.120 0.012 1 848 240 93 VAL HA H 4.597 0.000 1 849 240 93 VAL HB H 2.272 0.000 1 850 240 93 VAL HG1 H 1.030 0.008 1 851 240 93 VAL HG2 H 1.015 0.008 1 852 240 93 VAL C C 174.020 0.000 1 853 240 93 VAL CA C 62.252 0.055 1 854 240 93 VAL CB C 34.560 0.049 1 855 240 93 VAL CG1 C 22.818 0.000 1 856 240 93 VAL CG2 C 22.934 0.033 1 857 240 93 VAL N N 126.174 0.032 1 858 241 94 GLU H H 9.317 0.012 1 859 241 94 GLU HA H 5.322 0.000 1 860 241 94 GLU HB2 H 1.885 0.000 1 861 241 94 GLU HB3 H 1.978 0.000 1 862 241 94 GLU HG2 H 2.262 0.000 1 863 241 94 GLU C C 174.100 0.000 1 864 241 94 GLU CA C 54.272 0.039 1 865 241 94 GLU CB C 36.97 0.078 1 866 241 94 GLU N N 124.925 0.017 1 867 242 95 GLU H H 9.478 0.012 1 868 242 95 GLU HA H 5.490 0.000 1 869 242 95 GLU HB2 H 2.086 0.000 1 870 242 95 GLU C C 174.954 0.000 1 871 242 95 GLU CA C 52.942 0.047 1 872 242 95 GLU CB C 34.167 0.122 1 873 242 95 GLU CG C 34.809 0.000 1 874 242 95 GLU N N 117.427 0.018 1 875 243 96 ARG H H 8.449 0.010 1 876 243 96 ARG HA H 3.736 0.000 1 877 243 96 ARG HB2 H 1.156 0.000 1 878 243 96 ARG HB3 H 1.024 0.000 1 879 243 96 ARG HG2 H 0.754 0.000 1 880 243 96 ARG HG3 H 0.582 0.000 1 881 243 96 ARG HD2 H 2.594 0.000 1 882 243 96 ARG C C 176.558 0.000 1 883 243 96 ARG CA C 56.104 0.063 1 884 243 96 ARG CB C 30.372 0.094 1 885 243 96 ARG N N 123.466 0.031 1 886 244 97 GLU H H 8.213 0.009 1 887 244 97 GLU HA H 4.208 0.000 1 888 244 97 GLU HB2 H 1.815 0.000 1 889 244 97 GLU HB3 H 1.621 0.000 1 890 244 97 GLU HG2 H 2.072 0.000 1 891 244 97 GLU HG3 H 1.959 0.000 1 892 244 97 GLU C C 175.388 0.000 1 893 244 97 GLU CA C 56.256 0.021 1 894 244 97 GLU CB C 30.840 0.074 1 895 244 97 GLU N N 124.216 0.015 1 896 245 98 LEU H H 8.363 0.012 1 897 245 98 LEU HD1 H 0.811 0.000 1 898 245 98 LEU HD2 H 0.867 0.000 1 899 245 98 LEU CA C 52.657 0.000 1 900 245 98 LEU CB C 41.628 0.000 1 901 245 98 LEU CD1 C 23.216 0.000 1 902 245 98 LEU CD2 C 25.195 0.000 1 903 245 98 LEU N N 127.125 0.030 1 stop_ save_