data_18603 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RBP E. coli Assignment of backbone NH, alpha and beta carbons ; _BMRB_accession_number 18603 _BMRB_flat_file_name bmr18603.str _Entry_type original _Submission_date 2012-07-20 _Accession_date 2012-07-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; RBP E.coli bound to glucose NMR assignment of backbone: N, H, alpha C and betha C ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Millet Aguilar Galindo' Oscar . . 2 'Castano Mayan' David . . 3 'Ortega Quintanilla' Gabriel . . 4 Diercks Tammo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 248 "13C chemical shifts" 473 "15N chemical shifts" 248 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-04 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 18597 'Ecoli RBP sugar free backbone assignment' 18601 'Ecoli GGBP sugar free backbone assignment' 18609 'Ecoli GGBP sugar backbone assignment' stop_ _Original_release_date 2012-07-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Carbohydrate affinity for the glucose-galactose binding protein is regulated by allosteric domain motions ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23148479 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ortega Gabriel . . 2 Castano David . . 3 Diercks Tammo . . 4 Millet Oscar . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 134 _Journal_issue 48 _Journal_ISSN 1520-5126 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19869 _Page_last 19876 _Year 2012 _Details . loop_ _Keyword Closed Periplasmic 'Ribose binding protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RBP $RBP Glucose $entity_BGC stop_ _System_molecular_weight 29.8 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Periplasmic binding protein. Extracellular receptor for ribose.' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RBP _Molecular_mass . _Mol_thiol_state 'not available' loop_ _Biological_function 'Periplasmic Binding Proteins bind sugars and act in the signalling cascade of the chemotactic response' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 272 _Mol_residue_sequence ; MKDTIALVVSTLNNPFFVSL KDGAQKEADKLGYNLVVLDS QNNPAKELANVQDLTVRGTK ILLINPTDSDAVDNAVKMAN QANIPVITLDRQATKGEVVS HIASDNVLGGKIAGDYIAKK AGEGAKVIELQGIAGTSAAR ERGEGFQQAVAAHKFNVLAS QPADFDRIKGLNVMQNLLTA HPDVQAVFAQNDEMALGALR ALQTAGKSDVMVVGFDGTPD GEKAVNDGKLAATIAQLPDQ IGAKGVETADKVLKGEKVQA KYPVDLKLVVKQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 1 LYS 3 2 ASP 4 3 THR 5 4 ILE 6 5 ALA 7 6 LEU 8 7 VAL 9 8 VAL 10 9 SER 11 10 THR 12 11 LEU 13 12 ASN 14 13 ASN 15 14 PRO 16 15 PHE 17 16 PHE 18 17 VAL 19 18 SER 20 19 LEU 21 20 LYS 22 21 ASP 23 22 GLY 24 23 ALA 25 24 GLN 26 25 LYS 27 26 GLU 28 27 ALA 29 28 ASP 30 29 LYS 31 30 LEU 32 31 GLY 33 32 TYR 34 33 ASN 35 34 LEU 36 35 VAL 37 36 VAL 38 37 LEU 39 38 ASP 40 39 SER 41 40 GLN 42 41 ASN 43 42 ASN 44 43 PRO 45 44 ALA 46 45 LYS 47 46 GLU 48 47 LEU 49 48 ALA 50 49 ASN 51 50 VAL 52 51 GLN 53 52 ASP 54 53 LEU 55 54 THR 56 55 VAL 57 56 ARG 58 57 GLY 59 58 THR 60 59 LYS 61 60 ILE 62 61 LEU 63 62 LEU 64 63 ILE 65 64 ASN 66 65 PRO 67 66 THR 68 67 ASP 69 68 SER 70 69 ASP 71 70 ALA 72 71 VAL 73 72 ASP 74 73 ASN 75 74 ALA 76 75 VAL 77 76 LYS 78 77 MET 79 78 ALA 80 79 ASN 81 80 GLN 82 81 ALA 83 82 ASN 84 83 ILE 85 84 PRO 86 85 VAL 87 86 ILE 88 87 THR 89 88 LEU 90 89 ASP 91 90 ARG 92 91 GLN 93 92 ALA 94 93 THR 95 94 LYS 96 95 GLY 97 96 GLU 98 97 VAL 99 98 VAL 100 99 SER 101 100 HIS 102 101 ILE 103 102 ALA 104 103 SER 105 104 ASP 106 105 ASN 107 106 VAL 108 107 LEU 109 108 GLY 110 109 GLY 111 110 LYS 112 111 ILE 113 112 ALA 114 113 GLY 115 114 ASP 116 115 TYR 117 116 ILE 118 117 ALA 119 118 LYS 120 119 LYS 121 120 ALA 122 121 GLY 123 122 GLU 124 123 GLY 125 124 ALA 126 125 LYS 127 126 VAL 128 127 ILE 129 128 GLU 130 129 LEU 131 130 GLN 132 131 GLY 133 132 ILE 134 133 ALA 135 134 GLY 136 135 THR 137 136 SER 138 137 ALA 139 138 ALA 140 139 ARG 141 140 GLU 142 141 ARG 143 142 GLY 144 143 GLU 145 144 GLY 146 145 PHE 147 146 GLN 148 147 GLN 149 148 ALA 150 149 VAL 151 150 ALA 152 151 ALA 153 152 HIS 154 153 LYS 155 154 PHE 156 155 ASN 157 156 VAL 158 157 LEU 159 158 ALA 160 159 SER 161 160 GLN 162 161 PRO 163 162 ALA 164 163 ASP 165 164 PHE 166 165 ASP 167 166 ARG 168 167 ILE 169 168 LYS 170 169 GLY 171 170 LEU 172 171 ASN 173 172 VAL 174 173 MET 175 174 GLN 176 175 ASN 177 176 LEU 178 177 LEU 179 178 THR 180 179 ALA 181 180 HIS 182 181 PRO 183 182 ASP 184 183 VAL 185 184 GLN 186 185 ALA 187 186 VAL 188 187 PHE 189 188 ALA 190 189 GLN 191 190 ASN 192 191 ASP 193 192 GLU 194 193 MET 195 194 ALA 196 195 LEU 197 196 GLY 198 197 ALA 199 198 LEU 200 199 ARG 201 200 ALA 202 201 LEU 203 202 GLN 204 203 THR 205 204 ALA 206 205 GLY 207 206 LYS 208 207 SER 209 208 ASP 210 209 VAL 211 210 MET 212 211 VAL 213 212 VAL 214 213 GLY 215 214 PHE 216 215 ASP 217 216 GLY 218 217 THR 219 218 PRO 220 219 ASP 221 220 GLY 222 221 GLU 223 222 LYS 224 223 ALA 225 224 VAL 226 225 ASN 227 226 ASP 228 227 GLY 229 228 LYS 230 229 LEU 231 230 ALA 232 231 ALA 233 232 THR 234 233 ILE 235 234 ALA 236 235 GLN 237 236 LEU 238 237 PRO 239 238 ASP 240 239 GLN 241 240 ILE 242 241 GLY 243 242 ALA 244 243 LYS 245 244 GLY 246 245 VAL 247 246 GLU 248 247 THR 249 248 ALA 250 249 ASP 251 250 LYS 252 251 VAL 253 252 LEU 254 253 LYS 255 254 GLY 256 255 GLU 257 256 LYS 258 257 VAL 259 258 GLN 260 259 ALA 261 260 LYS 262 261 TYR 263 262 PRO 264 263 VAL 265 264 ASP 266 265 LEU 267 266 LYS 268 267 LEU 269 268 VAL 270 269 VAL 271 270 LYS 272 271 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_BGC _Saveframe_category ligand _Mol_type "non-polymer (SACCHARIDE)" _Name_common BETA-D-GLUCOSE _BMRB_code BGC _PDB_code BGC _Molecular_mass 180.156 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? O3 O3 O . 0 . ? O4 O4 O . 0 . ? O5 O5 O . 0 . ? O6 O6 O . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H6C1 H6C1 H . 0 . ? H6C2 H6C2 H . 0 . ? H1 H1 H . 0 . ? HA HA H . 0 . ? HB HB H . 0 . ? HC HC H . 0 . ? HD HD H . 0 . ? H6 H6 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C2 C3 ? ? SING C2 C1 ? ? SING C2 O2 ? ? SING C2 H2 ? ? SING C3 C4 ? ? SING C3 O3 ? ? SING C3 H3 ? ? SING C4 C5 ? ? SING C4 O4 ? ? SING C4 H4 ? ? SING C5 C6 ? ? SING C5 O5 ? ? SING C5 H5 ? ? SING C6 O6 ? ? SING C6 H6C1 ? ? SING C6 H6C2 ? ? SING C1 O1 ? ? SING C1 O5 ? ? SING C1 H1 ? ? SING O1 HA ? ? SING O2 HB ? ? SING O3 HC ? ? SING O4 HD ? ? SING O6 H6 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RBP 'E. coli' 562 Eubacteria . 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 _Details $RBP 'recombinant technology' . Escherichia coli BL21 pET-11m 'Ampiciline resistant' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_assi _Saveframe_category sample _Sample_type solution _Details ; 1mM NCD RBP 20mM tris pH = 7 150mM NaCl 10uM CaCl2 1mM NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RBP 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' D2O 8 % [U-2H] 'sodium azide' 1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'calcium chloride' 10 uM 'natural abundance' TRIS 20 mM 'natural abundance' stop_ save_ save_sample_rdc _Saveframe_category sample _Sample_type solution _Details ; 1mM NCD RBP 20mM tris pH = 7 150mM NaCl 10uM CaCl2 1mM NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RBP 1 mM [U-15N] H2O 100 % 'natural abundance' 'sodium azide' 1 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'calcium chloride' 10 uM 'natural abundance' TRIS 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model INOVA _Field_strength 800 _Details Cryoprobe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model INOVA _Field_strength 600 _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_assi save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_assi save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_assi save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_assi save_ save_3D_HNCB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCB' _Sample_label $sample_assi save_ save_3D_HN(CO)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CB' _Sample_label $sample_assi save_ save_2D_1H-15N_HSQC_-_edited_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC - edited' _Sample_label $sample_rdc save_ save_3D_HNCO_-_edited_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO - edited' _Sample_label $sample_rdc save_ save_2D_1H-15N_HSQC_-_edited_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC - edited' _Sample_label $sample_rdc save_ save_3D_HNCO_-_edited_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO - edited' _Sample_label $sample_rdc 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' 0.15 . M pH 7.1 . pH pressure 1 . atm temperature 310 . 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 H 1 protons ppm 4.706 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 na 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 ; Systematic_chem_shift_offset: 13C Bruker Referencing: 'all 13C': +2.57. ; loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCB' '3D HN(CO)CB' stop_ loop_ _Sample_label $sample_assi stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RBP _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 1 2 LYS H H 7.952 . 1 2 1 2 LYS CA C 53.055 . 1 3 1 2 LYS CB C 30.509 . 1 4 1 2 LYS N N 127.586 . 1 5 2 3 ASP H H 8.818 . 1 6 2 3 ASP CA C 51.756 . 1 7 2 3 ASP CB C 39.453 . 1 8 2 3 ASP N N 122.856 . 1 9 3 4 THR H H 8.617 . 1 10 3 4 THR CA C 59.910 . 1 11 3 4 THR CB C 63.520 . 1 12 3 4 THR N N 117.628 . 1 13 4 5 ILE H H 8.819 . 1 14 4 5 ILE CA C 56.717 . 1 15 4 5 ILE CB C 37.294 . 1 16 4 5 ILE N N 125.180 . 1 17 5 6 ALA H H 7.799 . 1 18 5 6 ALA CA C 46.926 . 1 19 5 6 ALA CB C 21.440 . 1 20 5 6 ALA N N 125.083 . 1 21 6 7 LEU H H 9.262 . 1 22 6 7 LEU CA C 49.801 . 1 23 6 7 LEU CB C 41.299 . 1 24 6 7 LEU N N 123.147 . 1 25 7 8 VAL H H 8.916 . 1 26 7 8 VAL CA C 57.898 . 1 27 7 8 VAL CB C 29.245 . 1 28 7 8 VAL N N 128.085 . 1 29 8 9 VAL H H 8.731 . 1 30 8 9 VAL CA C 56.670 . 1 31 8 9 VAL CB C 31.523 . 1 32 8 9 VAL N N 123.437 . 1 33 9 10 SER H H 7.901 . 1 34 9 10 SER CA C 59.126 . 1 35 9 10 SER CB C 58.361 . 1 36 9 10 SER N N 120.145 . 1 37 10 11 THR H H 6.371 . 1 38 10 11 THR CA C 57.048 . 1 39 10 11 THR CB C 65.266 . 1 40 10 11 THR N N 111.044 . 1 41 11 12 LEU H H 7.518 . 1 42 11 12 LEU CA C 50.808 . 1 43 11 12 LEU CB C 37.526 . 1 44 11 12 LEU N N 121.042 . 1 45 12 13 ASN H H 8.836 . 1 46 12 13 ASN CA C 49.808 . 1 47 12 13 ASN CB C 34.742 . 1 48 12 13 ASN N N 121.501 . 1 49 13 14 ASN H H 6.804 . 1 50 13 14 ASN CA C 46.533 . 1 51 13 14 ASN CB C 37.927 . 1 52 13 14 ASN N N 115.577 . 1 53 15 16 PHE H H 8.177 . 1 54 15 16 PHE CA C 58.694 . 1 55 15 16 PHE CB C 36.971 . 1 56 15 16 PHE N N 116.865 . 1 57 16 17 PHE H H 7.294 . 1 58 16 17 PHE CA C 58.697 . 1 59 16 17 PHE CB C 37.121 . 1 60 16 17 PHE N N 114.099 . 1 61 17 18 VAL H H 7.438 . 1 62 17 18 VAL CA C 63.990 . 1 63 17 18 VAL CB C 28.086 . 1 64 17 18 VAL N N 121.475 . 1 65 18 19 SER H H 7.635 . 1 66 18 19 SER CA C 59.103 . 1 67 18 19 SER CB C 59.592 . 1 68 18 19 SER N N 114.007 . 1 69 19 20 LEU H H 7.336 . 1 70 19 20 LEU CA C 55.853 . 1 71 19 20 LEU CB C 39.215 . 1 72 19 20 LEU N N 123.129 . 1 73 20 21 LYS H H 8.219 . 1 74 20 21 LYS CA C 56.647 . 1 75 20 21 LYS CB C 26.928 . 1 76 20 21 LYS N N 120.581 . 1 77 21 22 ASP H H 8.642 . 1 78 21 22 ASP CA C 54.658 . 1 79 21 22 ASP CB C 36.886 . 1 80 21 22 ASP N N 120.738 . 1 81 22 23 GLY H H 8.406 . 1 82 22 23 GLY CA C 43.860 . 1 83 22 23 GLY N N 107.737 . 1 84 23 24 ALA H H 7.898 . 1 85 23 24 ALA CA C 51.405 . 1 86 23 24 ALA CB C 14.431 . 1 87 23 24 ALA N N 123.168 . 1 88 24 25 GLN H H 8.857 . 1 89 24 25 GLN CA C 55.874 . 1 90 24 25 GLN CB C 25.675 . 1 91 24 25 GLN N N 118.617 . 1 92 25 26 LYS H H 8.123 . 1 93 25 26 LYS CA C 56.271 . 1 94 25 26 LYS CB C 28.676 . 1 95 25 26 LYS N N 118.318 . 1 96 26 27 GLU H H 7.571 . 1 97 26 27 GLU CA C 55.459 . 1 98 26 27 GLU CB C 26.200 . 1 99 26 27 GLU N N 121.269 . 1 100 27 28 ALA H H 8.912 . 1 101 27 28 ALA CA C 53.021 . 1 102 27 28 ALA CB C 14.310 . 1 103 27 28 ALA N N 121.763 . 1 104 28 29 ASP H H 8.518 . 1 105 28 29 ASP CA C 53.915 . 1 106 28 29 ASP CB C 37.058 . 1 107 28 29 ASP N N 117.991 . 1 108 29 30 LYS H H 7.661 . 1 109 29 30 LYS CA C 56.271 . 1 110 29 30 LYS CB C 29.192 . 1 111 29 30 LYS N N 120.829 . 1 112 30 31 LEU H H 8.116 . 1 113 30 31 LEU CA C 51.841 . 1 114 30 31 LEU CB C 39.229 . 1 115 30 31 LEU N N 115.423 . 1 116 31 32 GLY H H 7.810 . 1 117 31 32 GLY CA C 43.162 . 1 118 31 32 GLY N N 107.040 . 1 119 32 33 TYR H H 8.262 . 1 120 32 33 TYR CA C 55.073 . 1 121 32 33 TYR CB C 38.385 . 1 122 32 33 TYR N N 117.157 . 1 123 33 34 ASN H H 8.697 . 1 124 33 34 ASN CA C 49.408 . 1 125 33 34 ASN CB C 36.411 . 1 126 33 34 ASN N N 119.449 . 1 127 34 35 LEU H H 8.703 . 1 128 34 35 LEU CA C 50.179 . 1 129 34 35 LEU CB C 40.814 . 1 130 34 35 LEU N N 126.913 . 1 131 35 36 VAL H H 8.561 . 1 132 35 36 VAL CA C 57.870 . 1 133 35 36 VAL CB C 30.263 . 1 134 35 36 VAL N N 128.353 . 1 135 36 37 VAL H H 8.477 . 1 136 36 37 VAL CA C 57.816 . 1 137 36 37 VAL CB C 29.728 . 1 138 36 37 VAL N N 126.249 . 1 139 37 38 LEU H H 9.054 . 1 140 37 38 LEU CA C 50.290 . 1 141 37 38 LEU CB C 41.200 . 1 142 37 38 LEU N N 127.728 . 1 143 38 39 ASP H H 8.466 . 1 144 38 39 ASP CA C 49.364 . 1 145 38 39 ASP CB C 39.453 . 1 146 38 39 ASP N N 122.566 . 1 147 39 40 SER H H 8.976 . 1 148 39 40 SER CA C 56.068 . 1 149 39 40 SER CB C 60.287 . 1 150 39 40 SER N N 125.180 . 1 151 40 41 GLN H H 9.391 . 1 152 40 41 GLN CA C 53.455 . 1 153 40 41 GLN CB C 23.322 . 1 154 40 41 GLN N N 119.177 . 1 155 41 42 ASN H H 9.898 . 1 156 41 42 ASN CA C 50.957 . 1 157 41 42 ASN CB C 34.736 . 1 158 41 42 ASN N N 109.988 . 1 159 44 45 ALA H H 8.011 . 1 160 44 45 ALA CA C 51.820 . 1 161 44 45 ALA CB C 14.533 . 1 162 44 45 ALA N N 120.119 . 1 163 45 46 LYS H H 7.470 . 1 164 45 46 LYS CA C 54.639 . 1 165 45 46 LYS CB C 27.896 . 1 166 45 46 LYS N N 122.663 . 1 167 46 47 GLU H H 8.167 . 1 168 46 47 GLU CA C 56.701 . 1 169 46 47 GLU CB C 28.708 . 1 170 46 47 GLU N N 121.199 . 1 171 47 48 LEU H H 7.792 . 1 172 47 48 LEU CA C 55.070 . 1 173 47 48 LEU CB C 38.041 . 1 174 47 48 LEU N N 118.886 . 1 175 48 49 ALA H H 7.556 . 1 176 48 49 ALA CA C 51.798 . 1 177 48 49 ALA CB C 14.523 . 1 178 48 49 ALA N N 120.782 . 1 179 49 50 ASN H H 8.756 . 1 180 49 50 ASN CA C 52.160 . 1 181 49 50 ASN CB C 34.606 . 1 182 49 50 ASN N N 117.511 . 1 183 50 51 VAL H H 8.133 . 1 184 50 51 VAL CA C 64.209 . 1 185 50 51 VAL CB C 27.683 . 1 186 50 51 VAL N N 119.564 . 1 187 51 52 GLN H H 8.853 . 1 188 51 52 GLN CA C 56.698 . 1 189 51 52 GLN CB C 25.041 . 1 190 51 52 GLN N N 121.051 . 1 191 52 53 ASP H H 8.129 . 1 192 52 53 ASP CA C 54.226 . 1 193 52 53 ASP CB C 38.000 . 1 194 52 53 ASP N N 119.424 . 1 195 53 54 LEU H H 7.836 . 1 196 53 54 LEU CA C 54.456 . 1 197 53 54 LEU CB C 37.609 . 1 198 53 54 LEU N N 117.072 . 1 199 54 55 THR H H 8.296 . 1 200 54 55 THR CA C 62.351 . 1 201 54 55 THR CB C 65.078 . 1 202 54 55 THR N N 111.944 . 1 203 55 56 VAL H H 7.430 . 1 204 55 56 VAL CA C 60.336 . 1 205 55 56 VAL CB C 28.315 . 1 206 55 56 VAL N N 118.355 . 1 207 56 57 ARG H H 7.487 . 1 208 56 57 ARG CA C 53.473 . 1 209 56 57 ARG CB C 27.744 . 1 210 56 57 ARG N N 118.015 . 1 211 57 58 GLY H H 8.170 . 1 212 57 58 GLY CA C 42.960 . 1 213 57 58 GLY N N 120.820 . 1 214 58 59 THR H H 7.321 . 1 215 58 59 THR CA C 60.359 . 1 216 58 59 THR CB C 64.782 . 1 217 58 59 THR N N 116.177 . 1 218 59 60 LYS H H 8.671 . 1 219 59 60 LYS CA C 53.845 . 1 220 59 60 LYS CB C 30.307 . 1 221 59 60 LYS N N 123.050 . 1 222 60 61 ILE H H 7.046 . 1 223 60 61 ILE CA C 56.242 . 1 224 60 61 ILE CB C 36.871 . 1 225 60 61 ILE N N 112.830 . 1 226 61 62 LEU H H 8.537 . 1 227 61 62 LEU CA C 50.570 . 1 228 61 62 LEU CB C 41.309 . 1 229 61 62 LEU N N 127.795 . 1 230 62 63 LEU H H 9.158 . 1 231 62 63 LEU CA C 49.792 . 1 232 62 63 LEU CB C 38.781 . 1 233 62 63 LEU N N 126.245 . 1 234 63 64 ILE H H 9.162 . 1 235 63 64 ILE CA C 55.424 . 1 236 63 64 ILE CB C 38.685 . 1 237 63 64 ILE N N 119.420 . 1 238 66 67 THR H H 10.469 . 1 239 66 67 THR CA C 60.260 . 1 240 66 67 THR CB C 64.468 . 1 241 66 67 THR N N 117.983 . 1 242 67 68 ASP H H 6.913 . 1 243 67 68 ASP CA C 51.398 . 1 244 67 68 ASP CB C 41.055 . 1 245 67 68 ASP N N 118.677 . 1 246 69 70 ASP H H 8.552 . 1 247 69 70 ASP CA C 52.629 . 1 248 69 70 ASP CB C 38.417 . 1 249 69 70 ASP N N 120.339 . 1 250 70 71 ALA H H 9.253 . 1 251 70 71 ALA CA C 50.986 . 1 252 70 71 ALA CB C 14.586 . 1 253 70 71 ALA N N 124.793 . 1 254 71 72 VAL H H 7.649 . 1 255 71 72 VAL CA C 59.517 . 1 256 71 72 VAL CB C 28.414 . 1 257 71 72 VAL N N 115.207 . 1 258 72 73 ASP H H 7.904 . 1 259 72 73 ASP CA C 44.504 . 1 260 72 73 ASP CB C 44.739 . 1 261 72 73 ASP N N 109.785 . 1 262 73 74 ASN H H 7.640 . 1 263 73 74 ASN CA C 53.395 . 1 264 73 74 ASN CB C 34.296 . 1 265 73 74 ASN N N 117.725 . 1 266 74 75 ALA H H 7.994 . 1 267 74 75 ALA CA C 51.801 . 1 268 74 75 ALA CB C 13.989 . 1 269 74 75 ALA N N 124.599 . 1 270 75 76 VAL H H 8.372 . 1 271 75 76 VAL CA C 63.986 . 1 272 75 76 VAL CB C 28.168 . 1 273 75 76 VAL N N 117.628 . 1 274 76 77 LYS H H 8.460 . 1 275 76 77 LYS CA C 56.517 . 1 276 76 77 LYS CB C 28.435 . 1 277 76 77 LYS N N 118.230 . 1 278 77 78 MET H H 7.555 . 1 279 77 78 MET CA C 55.857 . 1 280 77 78 MET CB C 29.077 . 1 281 77 78 MET N N 119.080 . 1 282 78 79 ALA H H 7.582 . 1 283 78 79 ALA CA C 52.620 . 1 284 78 79 ALA CB C 13.743 . 1 285 78 79 ALA N N 122.663 . 1 286 79 80 ASN H H 9.165 . 1 287 79 80 ASN CA C 52.995 . 1 288 79 80 ASN CB C 35.760 . 1 289 79 80 ASN N N 117.028 . 1 290 80 81 GLN H H 8.512 . 1 291 80 81 GLN CA C 55.073 . 1 292 80 81 GLN CB C 24.948 . 1 293 80 81 GLN N N 119.925 . 1 294 81 82 ALA H H 7.333 . 1 295 81 82 ALA CA C 48.529 . 1 296 81 82 ALA CB C 15.535 . 1 297 81 82 ALA N N 120.105 . 1 298 82 83 ASN H H 7.976 . 1 299 82 83 ASN CA C 51.030 . 1 300 82 83 ASN CB C 33.954 . 1 301 82 83 ASN N N 114.645 . 1 302 85 86 VAL H H 8.396 . 1 303 85 86 VAL CA C 57.925 . 1 304 85 86 VAL CB C 31.152 . 1 305 85 86 VAL N N 121.053 . 1 306 89 90 ASP H H 10.248 . 1 307 89 90 ASP CA C 56.727 . 1 308 89 90 ASP CB C 37.502 . 1 309 89 90 ASP N N 121.308 . 1 310 90 91 ARG H H 8.855 . 1 311 90 91 ARG CA C 50.984 . 1 312 90 91 ARG CB C 31.689 . 1 313 90 91 ARG N N 119.439 . 1 314 91 92 GLN H H 8.541 . 1 315 91 92 GLN CA C 51.379 . 1 316 91 92 GLN CB C 27.749 . 1 317 91 92 GLN N N 118.458 . 1 318 92 93 ALA H H 9.424 . 1 319 92 93 ALA CA C 47.323 . 1 320 92 93 ALA CB C 17.631 . 1 321 92 93 ALA N N 124.139 . 1 322 93 94 THR H H 8.683 . 1 323 93 94 THR CA C 60.764 . 1 324 93 94 THR CB C 65.327 . 1 325 93 94 THR N N 116.643 . 1 326 94 95 LYS H H 7.574 . 1 327 94 95 LYS CA C 51.792 . 1 328 94 95 LYS CB C 33.107 . 1 329 94 95 LYS N N 118.506 . 1 330 95 96 GLY H H 7.730 . 1 331 95 96 GLY CA C 40.007 . 1 332 95 96 GLY N N 134.132 . 1 333 96 97 GLU H H 8.533 . 1 334 96 97 GLU CA C 53.453 . 1 335 96 97 GLU CB C 26.157 . 1 336 96 97 GLU N N 120.608 . 1 337 97 98 VAL H H 8.496 . 1 338 97 98 VAL CA C 57.948 . 1 339 97 98 VAL CB C 31.901 . 1 340 97 98 VAL N N 127.310 . 1 341 98 99 VAL H H 9.268 . 1 342 98 99 VAL CA C 61.564 . 1 343 98 99 VAL CB C 29.213 . 1 344 98 99 VAL N N 126.148 . 1 345 99 100 SER H H 6.994 . 1 346 99 100 SER CA C 54.635 . 1 347 99 100 SER CB C 62.114 . 1 348 99 100 SER N N 109.588 . 1 349 100 101 HIS H H 7.859 . 1 350 100 101 HIS CA C 51.807 . 1 351 100 101 HIS CB C 31.405 . 1 352 100 101 HIS N N 124.154 . 1 353 101 102 ILE H H 8.104 . 1 354 101 102 ILE CA C 56.705 . 1 355 101 102 ILE CB C 36.327 . 1 356 101 102 ILE N N 127.379 . 1 357 102 103 ALA H H 7.952 . 1 358 102 103 ALA CA C 48.151 . 1 359 102 103 ALA CB C 20.334 . 1 360 102 103 ALA N N 125.458 . 1 361 103 104 SER H H 7.923 . 1 362 103 104 SER CA C 55.064 . 1 363 103 104 SER CB C 59.825 . 1 364 103 104 SER N N 115.706 . 1 365 104 105 ASP H H 9.081 . 1 366 104 105 ASP CA C 55.228 . 1 367 104 105 ASP CB C 35.668 . 1 368 104 105 ASP N N 121.276 . 1 369 105 106 ASN H H 7.786 . 1 370 105 106 ASN CA C 54.445 . 1 371 105 106 ASN CB C 37.946 . 1 372 105 106 ASN N N 123.197 . 1 373 106 107 VAL H H 7.869 . 1 374 106 107 VAL CA C 62.414 . 1 375 106 107 VAL CB C 28.098 . 1 376 106 107 VAL N N 120.907 . 1 377 107 108 LEU H H 7.467 . 1 378 107 108 LEU CA C 54.245 . 1 379 107 108 LEU CB C 37.572 . 1 380 107 108 LEU N N 121.050 . 1 381 108 109 GLY H H 8.495 . 1 382 108 109 GLY CA C 45.709 . 1 383 108 109 GLY N N 131.820 . 1 384 109 110 GLY H H 8.316 . 1 385 109 110 GLY CA C 44.081 . 1 386 109 110 GLY N N 107.351 . 1 387 110 111 LYS H H 7.844 . 1 388 110 111 LYS CA C 56.665 . 1 389 110 111 LYS CB C 29.000 . 1 390 110 111 LYS N N 122.858 . 1 391 111 112 ILE H H 8.993 . 1 392 111 112 ILE CA C 62.335 . 1 393 111 112 ILE CB C 34.496 . 1 394 111 112 ILE N N 118.745 . 1 395 112 113 ALA H H 7.781 . 1 396 112 113 ALA CA C 52.601 . 1 397 112 113 ALA CB C 15.446 . 1 398 112 113 ALA N N 121.383 . 1 399 113 114 GLY H H 7.918 . 1 400 113 114 GLY CA C 44.532 . 1 401 113 114 GLY N N 132.530 . 1 402 114 115 ASP H H 9.378 . 1 403 114 115 ASP CA C 54.240 . 1 404 114 115 ASP CB C 36.665 . 1 405 114 115 ASP N N 122.919 . 1 406 115 116 TYR H H 8.332 . 1 407 115 116 TYR CA C 59.193 . 1 408 115 116 TYR CB C 34.694 . 1 409 115 116 TYR N N 122.708 . 1 410 116 117 ILE H H 7.860 . 1 411 116 117 ILE CA C 62.765 . 1 412 116 117 ILE CB C 33.844 . 1 413 116 117 ILE N N 118.195 . 1 414 117 118 ALA H H 8.015 . 1 415 117 118 ALA CA C 51.390 . 1 416 117 118 ALA CB C 12.636 . 1 417 117 118 ALA N N 120.627 . 1 418 118 119 LYS H H 7.478 . 1 419 118 119 LYS CA C 55.456 . 1 420 118 119 LYS CB C 28.810 . 1 421 118 119 LYS N N 117.705 . 1 422 119 120 LYS H H 7.218 . 1 423 119 120 LYS CA C 52.597 . 1 424 119 120 LYS CB C 29.063 . 1 425 119 120 LYS N N 114.460 . 1 426 120 121 ALA H H 9.056 . 1 427 120 121 ALA CA C 49.368 . 1 428 120 121 ALA CB C 15.735 . 1 429 120 121 ALA N N 121.069 . 1 430 121 122 GLY H H 7.255 . 1 431 121 122 GLY CA C 41.214 . 1 432 121 122 GLY N N 107.403 . 1 433 122 123 GLU H H 8.025 . 1 434 122 123 GLU CA C 53.848 . 1 435 122 123 GLU CB C 26.292 . 1 436 122 123 GLU N N 116.369 . 1 437 123 124 GLY H H 8.672 . 1 438 123 124 GLY CA C 42.481 . 1 439 123 124 GLY N N 109.768 . 1 440 124 125 ALA H H 6.948 . 1 441 124 125 ALA CA C 49.757 . 1 442 124 125 ALA CB C 14.957 . 1 443 124 125 ALA N N 120.086 . 1 444 125 126 LYS H H 8.414 . 1 445 125 126 LYS CA C 52.642 . 1 446 125 126 LYS CB C 29.561 . 1 447 125 126 LYS N N 120.774 . 1 448 126 127 VAL H H 8.771 . 1 449 126 127 VAL CA C 55.439 . 1 450 126 127 VAL CB C 32.637 . 1 451 126 127 VAL N N 119.467 . 1 452 127 128 ILE H H 8.321 . 1 453 127 128 ILE CA C 56.654 . 1 454 127 128 ILE CB C 39.510 . 1 455 127 128 ILE N N 122.082 . 1 456 128 129 GLU H H 8.382 . 1 457 128 129 GLU CA C 50.156 . 1 458 128 129 GLU CB C 30.423 . 1 459 128 129 GLU N N 128.098 . 1 460 129 130 LEU H H 8.626 . 1 461 129 130 LEU CA C 49.008 . 1 462 129 130 LEU CB C 38.573 . 1 463 129 130 LEU N N 125.891 . 1 464 130 131 GLN H H 8.330 . 1 465 130 131 GLN CA C 50.963 . 1 466 130 131 GLN CB C 26.689 . 1 467 130 131 GLN N N 120.920 . 1 468 131 132 GLY H H 7.697 . 1 469 131 132 GLY CA C 39.201 . 1 470 131 132 GLY N N 133.339 . 1 471 133 134 ALA H H 9.090 . 1 472 133 134 ALA CA C 51.785 . 1 473 133 134 ALA CB C 14.955 . 1 474 133 134 ALA N N 134.557 . 1 475 134 135 GLY H H 8.393 . 1 476 134 135 GLY CA C 42.046 . 1 477 134 135 GLY N N 105.123 . 1 478 137 138 ALA H H 6.218 . 1 479 137 138 ALA CA C 52.607 . 1 480 137 138 ALA CB C 16.098 . 1 481 137 138 ALA N N 121.598 . 1 482 138 139 ALA H H 7.240 . 1 483 138 139 ALA CA C 51.385 . 1 484 138 139 ALA CB C 15.336 . 1 485 138 139 ALA N N 117.240 . 1 486 139 140 ARG H H 7.697 . 1 487 139 140 ARG CA C 56.286 . 1 488 139 140 ARG CB C 26.649 . 1 489 139 140 ARG N N 119.274 . 1 490 140 141 GLU H H 8.890 . 1 491 140 141 GLU CA C 55.857 . 1 492 140 141 GLU CB C 28.248 . 1 493 140 141 GLU N N 118.402 . 1 494 141 142 ARG H H 7.859 . 1 495 141 142 ARG CA C 57.082 . 1 496 141 142 ARG CB C 26.707 . 1 497 141 142 ARG N N 117.821 . 1 498 142 143 GLY H H 8.160 . 1 499 142 143 GLY CA C 44.064 . 1 500 142 143 GLY N N 106.551 . 1 501 143 144 GLU H H 8.181 . 1 502 143 144 GLU CA C 56.279 . 1 503 143 144 GLU CB C 26.016 . 1 504 143 144 GLU N N 124.793 . 1 505 144 145 GLY H H 8.755 . 1 506 144 145 GLY CA C 45.144 . 1 507 144 145 GLY N N 107.416 . 1 508 145 146 PHE H H 8.795 . 1 509 145 146 PHE CA C 59.129 . 1 510 145 146 PHE CB C 35.857 . 1 511 145 146 PHE N N 122.760 . 1 512 146 147 GLN H H 8.492 . 1 513 146 147 GLN CA C 55.333 . 1 514 146 147 GLN CB C 24.176 . 1 515 146 147 GLN N N 117.531 . 1 516 147 148 GLN H H 7.741 . 1 517 147 148 GLN CA C 55.870 . 1 518 147 148 GLN CB C 24.058 . 1 519 147 148 GLN N N 119.661 . 1 520 148 149 ALA H H 7.426 . 1 521 148 149 ALA CA C 51.401 . 1 522 148 149 ALA CB C 15.293 . 1 523 148 149 ALA N N 122.953 . 1 524 149 150 VAL H H 8.592 . 1 525 149 150 VAL CA C 62.767 . 1 526 149 150 VAL CB C 27.978 . 1 527 149 150 VAL N N 120.048 . 1 528 150 151 ALA H H 7.597 . 1 529 150 151 ALA CA C 51.061 . 1 530 150 151 ALA CB C 14.801 . 1 531 150 151 ALA N N 118.596 . 1 532 151 152 ALA H H 7.426 . 1 533 151 152 ALA CA C 51.363 . 1 534 151 152 ALA CB C 14.718 . 1 535 151 152 ALA N N 119.274 . 1 536 152 153 HIS H H 7.727 . 1 537 152 153 HIS CA C 50.982 . 1 538 152 153 HIS CB C 26.292 . 1 539 152 153 HIS N N 111.431 . 1 540 153 154 LYS H H 7.405 . 1 541 153 154 LYS CA C 52.999 . 1 542 153 154 LYS CB C 25.279 . 1 543 153 154 LYS N N 116.351 . 1 544 154 155 PHE H H 7.589 . 1 545 154 155 PHE CA C 51.842 . 1 546 154 155 PHE CB C 34.666 . 1 547 154 155 PHE N N 113.658 . 1 548 155 156 ASN H H 8.472 . 1 549 155 156 ASN CA C 48.491 . 1 550 155 156 ASN CB C 36.041 . 1 551 155 156 ASN N N 120.145 . 1 552 156 157 VAL H H 8.525 . 1 553 156 157 VAL CA C 58.720 . 1 554 156 157 VAL CB C 26.801 . 1 555 156 157 VAL N N 124.599 . 1 556 157 158 LEU H H 9.206 . 1 557 157 158 LEU CA C 53.029 . 1 558 157 158 LEU CB C 37.514 . 1 559 157 158 LEU N N 130.409 . 1 560 158 159 ALA H H 6.895 . 1 561 158 159 ALA CA C 48.630 . 1 562 158 159 ALA CB C 19.787 . 1 563 158 159 ALA N N 112.593 . 1 564 159 160 SER H H 8.277 . 1 565 159 160 SER CA C 53.467 . 1 566 159 160 SER CB C 59.659 . 1 567 159 160 SER N N 115.891 . 1 568 160 161 GLN H H 8.336 . 1 569 160 161 GLN CA C 49.471 . 1 570 160 161 GLN CB C 29.902 . 1 571 160 161 GLN N N 123.661 . 1 572 162 163 ALA H H 9.066 . 1 573 162 163 ALA CA C 48.552 . 1 574 162 163 ALA CB C 14.446 . 1 575 162 163 ALA N N 121.746 . 1 576 163 164 ASP H H 7.191 . 1 577 163 164 ASP CA C 53.828 . 1 578 163 164 ASP CB C 35.276 . 1 579 163 164 ASP N N 110.687 . 1 580 164 165 PHE H H 8.236 . 1 581 164 165 PHE CA C 54.646 . 1 582 164 165 PHE CB C 33.837 . 1 583 164 165 PHE N N 109.991 . 1 584 165 166 ASP H H 7.790 . 1 585 165 166 ASP CA C 50.978 . 1 586 165 166 ASP CB C 43.803 . 1 587 165 166 ASP N N 120.369 . 1 588 166 167 ARG H H 9.428 . 1 589 166 167 ARG CA C 56.479 . 1 590 166 167 ARG CB C 28.354 . 1 591 166 167 ARG N N 127.834 . 1 592 167 168 ILE H H 7.831 . 1 593 167 168 ILE CA C 59.930 . 1 594 167 168 ILE CB C 32.777 . 1 595 167 168 ILE N N 120.553 . 1 596 168 169 LYS H H 9.231 . 1 597 168 169 LYS CA C 56.689 . 1 598 168 169 LYS CB C 28.172 . 1 599 168 169 LYS N N 121.984 . 1 600 169 170 GLY H H 8.467 . 1 601 169 170 GLY CA C 44.487 . 1 602 169 170 GLY N N 106.060 . 1 603 170 171 LEU H H 7.576 . 1 604 170 171 LEU CA C 55.845 . 1 605 170 171 LEU CB C 38.774 . 1 606 170 171 LEU N N 122.856 . 1 607 171 172 ASN H H 8.184 . 1 608 171 172 ASN CA C 53.832 . 1 609 171 172 ASN CB C 35.847 . 1 610 171 172 ASN N N 117.725 . 1 611 172 173 VAL H H 9.346 . 1 612 172 173 VAL CA C 63.179 . 1 613 172 173 VAL CB C 28.414 . 1 614 172 173 VAL N N 120.726 . 1 615 173 174 MET H H 8.260 . 1 616 173 174 MET CA C 54.232 . 1 617 173 174 MET CB C 29.452 . 1 618 173 174 MET N N 118.596 . 1 619 174 175 GLN H H 8.635 . 1 620 174 175 GLN CA C 56.664 . 1 621 174 175 GLN CB C 25.550 . 1 622 174 175 GLN N N 117.725 . 1 623 175 176 ASN H H 7.544 . 1 624 175 176 ASN CA C 53.033 . 1 625 175 176 ASN CB C 35.698 . 1 626 175 176 ASN N N 116.369 . 1 627 176 177 LEU H H 8.738 . 1 628 176 177 LEU CA C 54.632 . 1 629 176 177 LEU CB C 38.878 . 1 630 176 177 LEU N N 120.726 . 1 631 177 178 LEU H H 8.555 . 1 632 177 178 LEU CA C 53.867 . 1 633 177 178 LEU CB C 38.501 . 1 634 177 178 LEU N N 119.177 . 1 635 178 179 THR H H 7.234 . 1 636 178 179 THR CA C 61.951 . 1 637 178 179 THR CB C 65.288 . 1 638 178 179 THR N N 111.624 . 1 639 179 180 ALA H H 6.878 . 1 640 179 180 ALA CA C 50.176 . 1 641 179 180 ALA CB C 16.294 . 1 642 179 180 ALA N N 121.985 . 1 643 180 181 HIS H H 7.964 . 1 644 180 181 HIS CA C 49.773 . 1 645 180 181 HIS CB C 26.515 . 1 646 180 181 HIS N N 114.586 . 1 647 182 183 ASP H H 9.218 . 1 648 182 183 ASP CA C 49.357 . 1 649 182 183 ASP CB C 35.777 . 1 650 182 183 ASP N N 115.438 . 1 651 184 185 GLN H H 7.907 . 1 652 184 185 GLN CA C 54.234 . 1 653 184 185 GLN CB C 27.144 . 1 654 184 185 GLN N N 128.319 . 1 655 186 187 VAL H H 8.006 . 1 656 186 187 VAL CA C 59.111 . 1 657 186 187 VAL CB C 29.427 . 1 658 186 187 VAL N N 119.062 . 1 659 187 188 PHE H H 8.116 . 1 660 187 188 PHE CA C 57.928 . 1 661 187 188 PHE CB C 35.280 . 1 662 187 188 PHE N N 124.533 . 1 663 188 189 ALA H H 7.866 . 1 664 188 189 ALA CA C 50.601 . 1 665 188 189 ALA CB C 16.908 . 1 666 188 189 ALA N N 132.809 . 1 667 190 191 ASN H H 7.060 . 1 668 190 191 ASN CA C 49.759 . 1 669 190 191 ASN CB C 37.086 . 1 670 190 191 ASN N N 111.650 . 1 671 191 192 ASP H H 8.190 . 1 672 191 192 ASP CA C 54.216 . 1 673 191 192 ASP CB C 37.516 . 1 674 191 192 ASP N N 120.663 . 1 675 192 193 GLU H H 7.206 . 1 676 192 193 GLU CA C 56.490 . 1 677 192 193 GLU CB C 27.002 . 1 678 192 193 GLU N N 115.759 . 1 679 193 194 MET H H 7.804 . 1 680 193 194 MET CA C 57.060 . 1 681 193 194 MET CB C 29.666 . 1 682 193 194 MET N N 114.652 . 1 683 194 195 ALA H H 8.057 . 1 684 194 195 ALA CA C 51.877 . 1 685 194 195 ALA CB C 15.286 . 1 686 194 195 ALA N N 120.553 . 1 687 195 196 LEU H H 8.634 . 1 688 195 196 LEU CA C 54.276 . 1 689 195 196 LEU CB C 36.522 . 1 690 195 196 LEU N N 117.582 . 1 691 196 197 GLY H H 8.056 . 1 692 196 197 GLY CA C 44.448 . 1 693 196 197 GLY N N 109.569 . 1 694 197 198 ALA H H 8.657 . 1 695 197 198 ALA CA C 52.182 . 1 696 197 198 ALA CB C 13.711 . 1 697 197 198 ALA N N 124.074 . 1 698 198 199 LEU H H 8.519 . 1 699 198 199 LEU CA C 54.649 . 1 700 198 199 LEU CB C 38.496 . 1 701 198 199 LEU N N 116.681 . 1 702 199 200 ARG H H 7.406 . 1 703 199 200 ARG CA C 55.459 . 1 704 199 200 ARG CB C 25.685 . 1 705 199 200 ARG N N 119.539 . 1 706 200 201 ALA H H 7.794 . 1 707 200 201 ALA CA C 51.793 . 1 708 200 201 ALA CB C 15.261 . 1 709 200 201 ALA N N 123.227 . 1 710 201 202 LEU H H 8.390 . 1 711 201 202 LEU CA C 55.099 . 1 712 201 202 LEU CB C 37.440 . 1 713 201 202 LEU N N 119.078 . 1 714 202 203 GLN H H 8.461 . 1 715 202 203 GLN CA C 55.835 . 1 716 202 203 GLN CB C 24.839 . 1 717 202 203 GLN N N 118.894 . 1 718 203 204 THR H H 8.295 . 1 719 203 204 THR CA C 62.738 . 1 720 203 204 THR CB C 65.257 . 1 721 203 204 THR N N 116.773 . 1 722 204 205 ALA H H 7.443 . 1 723 204 205 ALA CA C 48.974 . 1 724 204 205 ALA CB C 16.346 . 1 725 204 205 ALA N N 120.738 . 1 726 205 206 GLY H H 7.772 . 1 727 205 206 GLY CA C 42.911 . 1 728 205 206 GLY N N 107.377 . 1 729 206 207 LYS H H 8.168 . 1 730 206 207 LYS CA C 51.086 . 1 731 206 207 LYS CB C 28.070 . 1 732 206 207 LYS N N 120.784 . 1 733 208 209 ASP H H 8.772 . 1 734 208 209 ASP CA C 50.984 . 1 735 208 209 ASP CB C 36.833 . 1 736 208 209 ASP N N 118.473 . 1 737 209 210 VAL H H 7.358 . 1 738 209 210 VAL CA C 59.548 . 1 739 209 210 VAL CB C 29.165 . 1 740 209 210 VAL N N 121.380 . 1 741 210 211 MET H H 7.595 . 1 742 210 211 MET CA C 52.233 . 1 743 210 211 MET CB C 30.532 . 1 744 210 211 MET N N 127.020 . 1 745 211 212 VAL H H 8.892 . 1 746 211 212 VAL CA C 58.289 . 1 747 211 212 VAL CB C 30.232 . 1 748 211 212 VAL N N 125.665 . 1 749 212 213 VAL H H 8.883 . 1 750 212 213 VAL CA C 57.542 . 1 751 212 213 VAL CB C 31.592 . 1 752 212 213 VAL N N 127.214 . 1 753 213 214 GLY H H 8.387 . 1 754 213 214 GLY CA C 40.804 . 1 755 213 214 GLY N N 112.431 . 1 756 214 215 PHE H H 7.043 . 1 757 214 215 PHE CA C 56.660 . 1 758 214 215 PHE CB C 40.382 . 1 759 214 215 PHE N N 117.758 . 1 760 215 216 ASP H H 9.313 . 1 761 215 216 ASP CA C 59.085 . 1 762 215 216 ASP CB C 39.550 . 1 763 215 216 ASP N N 118.933 . 1 764 216 217 GLY H H 9.165 . 1 765 216 217 GLY CA C 44.326 . 1 766 216 217 GLY N N 115.455 . 1 767 217 218 THR H H 8.576 . 1 768 217 218 THR CA C 58.248 . 1 769 217 218 THR CB C 65.423 . 1 770 217 218 THR N N 111.691 . 1 771 219 220 ASP H H 8.887 . 1 772 219 220 ASP CA C 53.850 . 1 773 219 220 ASP CB C 37.163 . 1 774 219 220 ASP N N 116.119 . 1 775 220 221 GLY H H 7.986 . 1 776 220 221 GLY CA C 42.868 . 1 777 220 221 GLY N N 111.149 . 1 778 221 222 GLU H H 9.218 . 1 779 221 222 GLU CA C 57.138 . 1 780 221 222 GLU CB C 26.133 . 1 781 221 222 GLU N N 120.738 . 1 782 222 223 LYS H H 8.175 . 1 783 222 223 LYS CA C 56.274 . 1 784 222 223 LYS CB C 28.661 . 1 785 222 223 LYS N N 119.643 . 1 786 223 224 ALA H H 7.608 . 1 787 223 224 ALA CA C 51.796 . 1 788 223 224 ALA CB C 15.157 . 1 789 223 224 ALA N N 119.262 . 1 790 224 225 VAL H H 8.035 . 1 791 224 225 VAL CA C 61.534 . 1 792 224 225 VAL CB C 28.050 . 1 793 224 225 VAL N N 122.121 . 1 794 225 226 ASN H H 8.461 . 1 795 225 226 ASN CA C 53.424 . 1 796 225 226 ASN CB C 34.943 . 1 797 225 226 ASN N N 121.782 . 1 798 226 227 ASP H H 8.593 . 1 799 226 227 ASP CA C 51.784 . 1 800 226 227 ASP CB C 38.098 . 1 801 226 227 ASP N N 117.467 . 1 802 227 228 GLY H H 7.934 . 1 803 227 228 GLY CA C 42.424 . 1 804 227 228 GLY N N 107.446 . 1 805 228 229 LYS H H 8.004 . 1 806 228 229 LYS CA C 53.823 . 1 807 228 229 LYS CB C 30.117 . 1 808 228 229 LYS N N 117.766 . 1 809 229 230 LEU H H 6.911 . 1 810 229 230 LEU CA C 49.820 . 1 811 229 230 LEU CB C 41.114 . 1 812 229 230 LEU N N 119.578 . 1 813 230 231 ALA H H 8.750 . 1 814 230 231 ALA CA C 52.192 . 1 815 230 231 ALA CB C 16.247 . 1 816 230 231 ALA N N 128.182 . 1 817 231 232 ALA H H 7.515 . 1 818 231 232 ALA CA C 48.148 . 1 819 231 232 ALA CB C 20.089 . 1 820 231 232 ALA N N 111.431 . 1 821 232 233 THR H H 8.395 . 1 822 232 233 THR CA C 57.117 . 1 823 232 233 THR CB C 64.537 . 1 824 232 233 THR N N 112.593 . 1 825 233 234 ILE H H 7.090 . 1 826 233 234 ILE CA C 55.886 . 1 827 233 234 ILE CB C 31.919 . 1 828 233 234 ILE N N 126.917 . 1 829 234 235 ALA H H 9.273 . 1 830 234 235 ALA CA C 49.760 . 1 831 234 235 ALA CB C 16.197 . 1 832 234 235 ALA N N 130.118 . 1 833 235 236 GLN H H 7.774 . 1 834 235 236 GLN CA C 51.398 . 1 835 235 236 GLN CB C 32.416 . 1 836 235 236 GLN N N 118.402 . 1 837 236 237 LEU H H 8.767 . 1 838 236 237 LEU CA C 48.542 . 1 839 236 237 LEU CB C 38.040 . 1 840 236 237 LEU N N 117.076 . 1 841 238 239 ASP H H 8.732 . 1 842 238 239 ASP CA C 53.420 . 1 843 238 239 ASP CB C 35.760 . 1 844 238 239 ASP N N 113.852 . 1 845 239 240 GLN H H 7.021 . 1 846 239 240 GLN CA C 54.639 . 1 847 239 240 GLN CB C 24.968 . 1 848 239 240 GLN N N 118.209 . 1 849 240 241 ILE H H 7.947 . 1 850 240 241 ILE CA C 63.097 . 1 851 240 241 ILE CB C 34.309 . 1 852 240 241 ILE N N 120.629 . 1 853 241 242 GLY H H 8.029 . 1 854 241 242 GLY CA C 44.503 . 1 855 241 242 GLY N N 133.688 . 1 856 242 243 ALA H H 8.293 . 1 857 242 243 ALA CA C 52.611 . 1 858 242 243 ALA CB C 15.249 . 1 859 242 243 ALA N N 123.050 . 1 860 243 244 LYS H H 8.822 . 1 861 243 244 LYS CA C 54.226 . 1 862 243 244 LYS CB C 27.714 . 1 863 243 244 LYS N N 117.144 . 1 864 244 245 GLY H H 8.272 . 1 865 244 245 GLY CA C 45.660 . 1 866 244 245 GLY N N 110.316 . 1 867 245 246 VAL H H 7.432 . 1 868 245 246 VAL CA C 63.579 . 1 869 245 246 VAL CB C 27.734 . 1 870 245 246 VAL N N 122.953 . 1 871 246 247 GLU H H 8.821 . 1 872 246 247 GLU CA C 56.616 . 1 873 246 247 GLU CB C 26.933 . 1 874 246 247 GLU N N 121.210 . 1 875 247 248 THR H H 8.253 . 1 876 247 248 THR CA C 63.967 . 1 877 247 248 THR CB C 64.874 . 1 878 247 248 THR N N 115.691 . 1 879 248 249 ALA H H 8.095 . 1 880 248 249 ALA CA C 52.185 . 1 881 248 249 ALA CB C 15.307 . 1 882 248 249 ALA N N 124.406 . 1 883 249 250 ASP H H 8.033 . 1 884 249 250 ASP CA C 54.198 . 1 885 249 250 ASP CB C 39.803 . 1 886 249 250 ASP N N 116.272 . 1 887 250 251 LYS H H 7.459 . 1 888 250 251 LYS CA C 57.156 . 1 889 250 251 LYS CB C 29.068 . 1 890 250 251 LYS N N 116.466 . 1 891 251 252 VAL H H 8.280 . 1 892 251 252 VAL CA C 62.839 . 1 893 251 252 VAL CB C 28.022 . 1 894 251 252 VAL N N 119.080 . 1 895 252 253 LEU H H 8.487 . 1 896 252 253 LEU CA C 54.302 . 1 897 252 253 LEU CB C 37.318 . 1 898 252 253 LEU N N 121.289 . 1 899 253 254 LYS H H 7.904 . 1 900 253 254 LYS CA C 53.836 . 1 901 253 254 LYS CB C 29.680 . 1 902 253 254 LYS N N 118.015 . 1 903 254 255 GLY H H 7.976 . 1 904 254 255 GLY CA C 42.694 . 1 905 254 255 GLY N N 108.297 . 1 906 255 256 GLU H H 8.228 . 1 907 255 256 GLU CA C 52.229 . 1 908 255 256 GLU CB C 27.458 . 1 909 255 256 GLU N N 120.726 . 1 910 256 257 LYS H H 8.291 . 1 911 256 257 LYS CA C 53.014 . 1 912 256 257 LYS CB C 28.903 . 1 913 256 257 LYS N N 121.330 . 1 914 257 258 VAL H H 8.178 . 1 915 257 258 VAL CA C 56.235 . 1 916 257 258 VAL CB C 31.337 . 1 917 257 258 VAL N N 116.950 . 1 918 258 259 GLN H H 7.948 . 1 919 258 259 GLN CA C 51.659 . 1 920 258 259 GLN CB C 25.807 . 1 921 258 259 GLN N N 119.274 . 1 922 259 260 ALA H H 8.403 . 1 923 259 260 ALA CA C 50.671 . 1 924 259 260 ALA CB C 15.213 . 1 925 259 260 ALA N N 121.783 . 1 926 260 261 LYS H H 7.321 . 1 927 260 261 LYS CA C 51.789 . 1 928 260 261 LYS CB C 32.529 . 1 929 260 261 LYS N N 114.940 . 1 930 261 262 TYR H H 8.571 . 1 931 261 262 TYR CA C 52.207 . 1 932 261 262 TYR CB C 36.917 . 1 933 261 262 TYR N N 121.417 . 1 934 263 264 VAL H H 7.374 . 1 935 263 264 VAL CA C 58.295 . 1 936 263 264 VAL CB C 30.107 . 1 937 263 264 VAL N N 121.390 . 1 938 264 265 ASP H H 8.240 . 1 939 264 265 ASP CA C 53.036 . 1 940 264 265 ASP CB C 39.295 . 1 941 264 265 ASP N N 125.485 . 1 942 265 266 LEU H H 7.964 . 1 943 265 266 LEU CA C 50.176 . 1 944 265 266 LEU CB C 42.421 . 1 945 265 266 LEU N N 118.076 . 1 946 266 267 LYS H H 7.703 . 1 947 266 267 LYS CA C 52.207 . 1 948 266 267 LYS CB C 32.703 . 1 949 266 267 LYS N N 116.856 . 1 950 267 268 LEU H H 8.673 . 1 951 267 268 LEU CA C 52.617 . 1 952 267 268 LEU CB C 38.834 . 1 953 267 268 LEU N N 126.439 . 1 954 268 269 VAL H H 8.844 . 1 955 268 269 VAL CA C 59.914 . 1 956 268 269 VAL CB C 28.903 . 1 957 268 269 VAL N N 130.944 . 1 958 269 270 VAL H H 7.583 . 1 959 269 270 VAL CA C 55.533 . 1 960 269 270 VAL CB C 32.380 . 1 961 269 270 VAL N N 117.146 . 1 962 270 271 LYS H H 8.577 . 1 963 270 271 LYS CA C 53.839 . 1 964 270 271 LYS CB C 29.359 . 1 965 270 271 LYS N N 123.534 . 1 966 271 272 GLN H H 8.214 . 1 967 271 272 GLN CA C 54.034 . 1 968 271 272 GLN CB C 27.121 . 1 969 271 272 GLN N N 129.951 . 1 stop_ save_