data_26586 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 15N, 13C and 1H backbone resonance assignments of TEM-1(M68L-M69T) ; _BMRB_accession_number 26586 _BMRB_flat_file_name bmr26586.str _Entry_type original _Submission_date 2015-06-09 _Accession_date 2015-06-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'TEM-1 double mutant' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gobeil Sophie M.C. . 2 Gagne Donald . . 3 Doucet Nicolas . . 4 Pelletier Joelle N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 247 "13C chemical shifts" 458 "15N chemical shifts" 248 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-12 update BMRB 'update entry citation' 2015-12-18 original author 'original release' stop_ _Original_release_date 2015-12-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 15N, 13C and 1H backbone resonance assignments of an artificially engineered TEM-1/PSE-4 class A beta-lactamase chimera and its deconvoluted mutant ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26386961 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gobeil Sophie M.C. . 2 Gagne Donald . . 3 Doucet Nicolas . . 4 Pelletier Joelle N. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 93 _Page_last 99 _Year 2016 _Details . loop_ _Keyword PSE-4 TEM-1 b-lactamases 'protein engineering' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TEM-1(M68L-M69T) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TEM-1(M68L-M69T) $monomer stop_ _System_molecular_weight 28907 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common monomer _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 263 _Mol_residue_sequence ; HPETLVKVKDAEDQLGARVG YIELDLNSGKILESFRPEER FPLTSTFKVLLCGAVLSRVD AGQEQLGRRIHYSQNDLVEY SPVTEKHLTDGMTVRELCSA AITMSDNTAANLLLTTIGGP KELTAFLHNMGDHVTRLDRW EPELNEAIPNDERDTTMPAA MATTLRKLLTGELLTLASRQ QLIDWMEADKVAGPLLRSAL PAGWFIADKSGAGERGSRGI IAALGPDGKPSRIVVIYTTG SQATMDERNRQIAEIGASLI KHW ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 PRO 3 GLU 4 THR 5 LEU 6 VAL 7 LYS 8 VAL 9 LYS 10 ASP 11 ALA 12 GLU 13 ASP 14 GLN 15 LEU 16 GLY 17 ALA 18 ARG 19 VAL 20 GLY 21 TYR 22 ILE 23 GLU 24 LEU 25 ASP 26 LEU 27 ASN 28 SER 29 GLY 30 LYS 31 ILE 32 LEU 33 GLU 34 SER 35 PHE 36 ARG 37 PRO 38 GLU 39 GLU 40 ARG 41 PHE 42 PRO 43 LEU 44 THR 45 SER 46 THR 47 PHE 48 LYS 49 VAL 50 LEU 51 LEU 52 CYS 53 GLY 54 ALA 55 VAL 56 LEU 57 SER 58 ARG 59 VAL 60 ASP 61 ALA 62 GLY 63 GLN 64 GLU 65 GLN 66 LEU 67 GLY 68 ARG 69 ARG 70 ILE 71 HIS 72 TYR 73 SER 74 GLN 75 ASN 76 ASP 77 LEU 78 VAL 79 GLU 80 TYR 81 SER 82 PRO 83 VAL 84 THR 85 GLU 86 LYS 87 HIS 88 LEU 89 THR 90 ASP 91 GLY 92 MET 93 THR 94 VAL 95 ARG 96 GLU 97 LEU 98 CYS 99 SER 100 ALA 101 ALA 102 ILE 103 THR 104 MET 105 SER 106 ASP 107 ASN 108 THR 109 ALA 110 ALA 111 ASN 112 LEU 113 LEU 114 LEU 115 THR 116 THR 117 ILE 118 GLY 119 GLY 120 PRO 121 LYS 122 GLU 123 LEU 124 THR 125 ALA 126 PHE 127 LEU 128 HIS 129 ASN 130 MET 131 GLY 132 ASP 133 HIS 134 VAL 135 THR 136 ARG 137 LEU 138 ASP 139 ARG 140 TRP 141 GLU 142 PRO 143 GLU 144 LEU 145 ASN 146 GLU 147 ALA 148 ILE 149 PRO 150 ASN 151 ASP 152 GLU 153 ARG 154 ASP 155 THR 156 THR 157 MET 158 PRO 159 ALA 160 ALA 161 MET 162 ALA 163 THR 164 THR 165 LEU 166 ARG 167 LYS 168 LEU 169 LEU 170 THR 171 GLY 172 GLU 173 LEU 174 LEU 175 THR 176 LEU 177 ALA 178 SER 179 ARG 180 GLN 181 GLN 182 LEU 183 ILE 184 ASP 185 TRP 186 MET 187 GLU 188 ALA 189 ASP 190 LYS 191 VAL 192 ALA 193 GLY 194 PRO 195 LEU 196 LEU 197 ARG 198 SER 199 ALA 200 LEU 201 PRO 202 ALA 203 GLY 204 TRP 205 PHE 206 ILE 207 ALA 208 ASP 209 LYS 210 SER 211 GLY 212 ALA 213 GLY 214 GLU 215 ARG 216 GLY 217 SER 218 ARG 219 GLY 220 ILE 221 ILE 222 ALA 223 ALA 224 LEU 225 GLY 226 PRO 227 ASP 228 GLY 229 LYS 230 PRO 231 SER 232 ARG 233 ILE 234 VAL 235 VAL 236 ILE 237 TYR 238 THR 239 THR 240 GLY 241 SER 242 GLN 243 ALA 244 THR 245 MET 246 ASP 247 GLU 248 ARG 249 ASN 250 ARG 251 GLN 252 ILE 253 ALA 254 GLU 255 ILE 256 GLY 257 ALA 258 SER 259 LEU 260 ILE 261 LYS 262 HIS 263 TRP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 4mez TEM-1(M68L-M69T) . . . . . UNP P62593 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $monomer '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 $monomer 'recombinant technology' . Escherichia coli . pET24 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling imidazole 3 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' $monomer 0.6 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 8.0.3 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 Varian _Model INOVA _Field_strength 800 _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 3 . mM pH 6.7 . pH pressure 1 . atm temperature 273 . 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 TSP C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.00 na direct . . . 1.000000000 TSP 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 . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TEM-1(M68L-M69T) _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 1 HIS CA C 58.7940 . 1 2 1 1 HIS CB C 26.9347 . 1 3 2 2 PRO CB C 32.3774 . 1 4 2 2 PRO N N 118.7418 . 1 5 3 3 GLU H H 10.9148 . 1 6 3 3 GLU CA C 59.7302 . 1 7 3 3 GLU N N 121.5695 . 1 8 4 4 THR H H 7.7844 . 1 9 4 4 THR CA C 65.1680 . 1 10 4 4 THR CB C 67.7596 . 1 11 4 4 THR N N 118.5258 . 1 12 5 5 LEU H H 7.0212 . 1 13 5 5 LEU CA C 57.4607 . 1 14 5 5 LEU CB C 40.8401 . 1 15 5 5 LEU N N 119.9321 . 1 16 6 6 VAL H H 7.5008 . 1 17 6 6 VAL CA C 66.8966 . 1 18 6 6 VAL CB C 31.3516 . 1 19 6 6 VAL N N 120.0649 . 1 20 7 7 LYS H H 7.3452 . 1 21 7 7 LYS CA C 57.0721 . 1 22 7 7 LYS CB C 30.3279 . 1 23 7 7 LYS N N 119.4091 . 1 24 8 8 VAL H H 8.2543 . 1 25 8 8 VAL CA C 67.3024 . 1 26 8 8 VAL N N 122.7060 . 1 27 9 9 LYS H H 7.6157 . 1 28 9 9 LYS CA C 59.9014 . 1 29 9 9 LYS CB C 31.9213 . 1 30 9 9 LYS N N 118.8266 . 1 31 10 10 ASP H H 8.3369 . 1 32 10 10 ASP CA C 57.3631 . 1 33 10 10 ASP CB C 41.7754 . 1 34 10 10 ASP N N 120.3546 . 1 35 11 11 ALA H H 8.4825 . 1 36 11 11 ALA CA C 55.4621 . 1 37 11 11 ALA CB C 18.5150 . 1 38 11 11 ALA N N 122.2089 . 1 39 12 12 GLU H H 7.9624 . 1 40 12 12 GLU CA C 60.7805 . 1 41 12 12 GLU CB C 29.2441 . 1 42 12 12 GLU N N 117.8408 . 1 43 13 13 ASP H H 7.9524 . 1 44 13 13 ASP CA C 57.2197 . 1 45 13 13 ASP CB C 40.7297 . 1 46 13 13 ASP N N 120.1552 . 1 47 14 14 GLN H H 8.7764 . 1 48 14 14 GLN CA C 58.4722 . 1 49 14 14 GLN CB C 28.6069 . 1 50 14 14 GLN N N 118.4586 . 1 51 15 15 LEU H H 8.7638 . 1 52 15 15 LEU CA C 54.7997 . 1 53 15 15 LEU CB C 42.5822 . 1 54 15 15 LEU N N 114.3507 . 1 55 16 16 GLY H H 8.1252 . 1 56 16 16 GLY CA C 47.3948 . 1 57 16 16 GLY N N 113.1401 . 1 58 17 17 ALA H H 7.7525 . 1 59 17 17 ALA CA C 50.7816 . 1 60 17 17 ALA CB C 23.6628 . 1 61 17 17 ALA N N 119.5947 . 1 62 18 18 ARG H H 7.6866 . 1 63 18 18 ARG CA C 55.8764 . 1 64 18 18 ARG CB C 33.0933 . 1 65 18 18 ARG N N 115.2580 . 1 66 19 19 VAL H H 10.5966 . 1 67 19 19 VAL CA C 61.3834 . 1 68 19 19 VAL CB C 34.2258 . 1 69 19 19 VAL N N 127.9963 . 1 70 20 20 GLY H H 8.8052 . 1 71 20 20 GLY CA C 44.0431 . 1 72 20 20 GLY N N 110.9439 . 1 73 21 21 TYR H H 9.4386 . 1 74 21 21 TYR CA C 56.8586 . 1 75 21 21 TYR CB C 45.0758 . 1 76 21 21 TYR N N 124.1928 . 1 77 22 22 ILE H H 8.1023 . 1 78 22 22 ILE CA C 59.2833 . 1 79 22 22 ILE CB C 41.8466 . 1 80 22 22 ILE N N 125.3980 . 1 81 23 23 GLU H H 7.8031 . 1 82 23 23 GLU CA C 54.2701 . 1 83 23 23 GLU CB C 34.3205 . 1 84 23 23 GLU N N 123.6298 . 1 85 24 24 LEU H H 9.6750 . 1 86 24 24 LEU CA C 53.2116 . 1 87 24 24 LEU CB C 47.1660 . 1 88 24 24 LEU N N 126.9986 . 1 89 25 25 ASP H H 9.0306 . 1 90 25 25 ASP CA C 55.5277 . 1 91 25 25 ASP CB C 43.2072 . 1 92 25 25 ASP N N 126.4249 . 1 93 26 26 LEU H H 8.2297 . 1 94 26 26 LEU CA C 58.7636 . 1 95 26 26 LEU N N 128.9238 . 1 96 27 27 ASN H H 8.6712 . 1 97 27 27 ASN CA C 56.3148 . 1 98 27 27 ASN N N 116.6116 . 1 99 28 28 SER H H 8.5256 . 1 100 28 28 SER CA C 59.0602 . 1 101 28 28 SER CB C 65.8004 . 1 102 28 28 SER N N 112.7800 . 1 103 29 29 GLY H H 7.9704 . 1 104 29 29 GLY CA C 45.6729 . 1 105 29 29 GLY N N 112.2540 . 1 106 30 30 LYS H H 7.6710 . 1 107 30 30 LYS CA C 56.5892 . 1 108 30 30 LYS CB C 33.7163 . 1 109 30 30 LYS N N 119.4238 . 1 110 31 31 ILE H H 8.6505 . 1 111 31 31 ILE CA C 62.7527 . 1 112 31 31 ILE CB C 37.6820 . 1 113 31 31 ILE N N 124.8852 . 1 114 32 32 LEU H H 8.9129 . 1 115 32 32 LEU CA C 55.8881 . 1 116 32 32 LEU CB C 42.3750 . 1 117 32 32 LEU N N 130.4212 . 1 118 33 33 GLU H H 7.5159 . 1 119 33 33 GLU CA C 55.0775 . 1 120 33 33 GLU CB C 34.0847 . 1 121 33 33 GLU N N 115.4719 . 1 122 34 34 SER H H 8.8995 . 1 123 34 34 SER N N 115.0450 . 1 124 35 35 PHE H H 9.4928 . 1 125 35 35 PHE N N 122.2768 . 1 126 36 36 ARG H H 8.7558 . 1 127 36 36 ARG N N 121.8738 . 1 128 37 37 PRO CA C 65.2251 . 1 129 37 37 PRO CB C 32.7538 . 1 130 38 38 GLU H H 8.4672 . 1 131 38 38 GLU CA C 54.9182 . 1 132 38 38 GLU CB C 29.0868 . 1 133 38 38 GLU N N 116.5273 . 1 134 39 39 GLU H H 6.8051 . 1 135 39 39 GLU CA C 54.9876 . 1 136 39 39 GLU CB C 32.2034 . 1 137 39 39 GLU N N 117.3816 . 1 138 40 40 ARG H H 8.2628 . 1 139 40 40 ARG CA C 55.8404 . 1 140 40 40 ARG N N 117.3264 . 1 141 41 41 PHE H H 8.7488 . 1 142 41 41 PHE CB C 43.4790 . 1 143 41 41 PHE N N 116.6985 . 1 144 42 42 PRO CA C 63.1154 . 1 145 43 43 LEU H H 8.2666 . 1 146 43 43 LEU CA C 57.9160 . 1 147 43 43 LEU CB C 45.0058 . 1 148 43 43 LEU N N 123.9074 . 1 149 44 44 THR H H 10.1893 . 1 150 44 44 THR CA C 62.2661 . 1 151 44 44 THR CB C 69.4112 . 1 152 44 44 THR N N 115.9519 . 1 153 45 45 SER CA C 61.7447 . 1 154 46 46 THR H H 8.1705 . 1 155 46 46 THR CA C 65.7580 . 1 156 46 46 THR N N 111.6147 . 1 157 47 47 PHE H H 7.6019 . 1 158 47 47 PHE CA C 59.1161 . 1 159 47 47 PHE CB C 39.0059 . 1 160 47 47 PHE N N 115.9528 . 1 161 48 48 LYS H H 7.3340 . 1 162 48 48 LYS CA C 60.1891 . 1 163 48 48 LYS N N 122.3859 . 1 164 49 49 VAL H H 6.4804 . 1 165 49 49 VAL CA C 66.4407 . 1 166 49 49 VAL CB C 33.1687 . 1 167 49 49 VAL N N 115.0500 . 1 168 50 50 LEU H H 6.6077 . 1 169 50 50 LEU CA C 57.3226 . 1 170 50 50 LEU CB C 40.6734 . 1 171 50 50 LEU N N 117.2765 . 1 172 51 51 LEU H H 7.9330 . 1 173 51 51 LEU CA C 57.3735 . 1 174 51 51 LEU CB C 42.5952 . 1 175 51 51 LEU N N 116.5033 . 1 176 52 52 CYS H H 7.3207 . 1 177 52 52 CYS CA C 63.8465 . 1 178 52 52 CYS CB C 44.9789 . 1 179 52 52 CYS N N 113.6481 . 1 180 53 53 GLY H H 8.3309 . 1 181 53 53 GLY CA C 47.8692 . 1 182 53 53 GLY N N 110.8906 . 1 183 54 54 ALA H H 7.7140 . 1 184 54 54 ALA CA C 55.0971 . 1 185 54 54 ALA CB C 16.8452 . 1 186 54 54 ALA N N 124.5201 . 1 187 55 55 VAL H H 7.9348 . 1 188 55 55 VAL CA C 66.8129 . 1 189 55 55 VAL CB C 32.1446 . 1 190 55 55 VAL N N 119.2702 . 1 191 56 56 LEU H H 8.4276 . 1 192 56 56 LEU CA C 57.8894 . 1 193 56 56 LEU CB C 40.6258 . 1 194 56 56 LEU N N 119.3011 . 1 195 57 57 SER H H 8.1102 . 1 196 57 57 SER CA C 61.7674 . 1 197 57 57 SER CB C 62.5708 . 1 198 57 57 SER N N 115.6810 . 1 199 58 58 ARG H H 7.4635 . 1 200 58 58 ARG CA C 59.2984 . 1 201 58 58 ARG CB C 30.3852 . 1 202 58 58 ARG N N 121.8080 . 1 203 59 59 VAL H H 8.2748 . 1 204 59 59 VAL CA C 65.1494 . 1 205 59 59 VAL CB C 31.0895 . 1 206 59 59 VAL N N 124.3866 . 1 207 60 60 ASP H H 9.0395 . 1 208 60 60 ASP CA C 57.2670 . 1 209 60 60 ASP CB C 40.9050 . 1 210 60 60 ASP N N 123.4426 . 1 211 61 61 ALA H H 7.4871 . 1 212 61 61 ALA CA C 52.2776 . 1 213 61 61 ALA CB C 19.4092 . 1 214 61 61 ALA N N 118.6067 . 1 215 62 62 GLY H H 8.1819 . 1 216 62 62 GLY CA C 45.7548 . 1 217 62 62 GLY N N 107.6068 . 1 218 63 63 GLN H H 8.3604 . 1 219 63 63 GLN CA C 55.6785 . 1 220 63 63 GLN CB C 30.1816 . 1 221 63 63 GLN N N 117.2726 . 1 222 64 64 GLU H H 7.3317 . 1 223 64 64 GLU CA C 52.8664 . 1 224 64 64 GLU CB C 33.8240 . 1 225 64 64 GLU N N 118.0069 . 1 226 65 65 GLN H H 10.0496 . 1 227 65 65 GLN CA C 54.9194 . 1 228 65 65 GLN N N 125.1363 . 1 229 66 66 LEU H H 9.0506 . 1 230 66 66 LEU CA C 57.6950 . 1 231 66 66 LEU N N 122.9991 . 1 232 67 67 GLY H H 8.3739 . 1 233 67 67 GLY CA C 44.5569 . 1 234 67 67 GLY N N 102.0545 . 1 235 68 68 ARG H H 7.3358 . 1 236 68 68 ARG CA C 58.0496 . 1 237 68 68 ARG CB C 31.7267 . 1 238 68 68 ARG N N 122.5353 . 1 239 69 69 ARG H H 8.5344 . 1 240 69 69 ARG CA C 56.5077 . 1 241 69 69 ARG CB C 31.6049 . 1 242 69 69 ARG N N 127.2156 . 1 243 70 70 ILE H H 9.1018 . 1 244 70 70 ILE CA C 60.4234 . 1 245 70 70 ILE CB C 39.2016 . 1 246 70 70 ILE N N 130.3461 . 1 247 71 71 HIS H H 8.5693 . 1 248 71 71 HIS CA C 55.0708 . 1 249 71 71 HIS CB C 30.2756 . 1 250 71 71 HIS N N 124.1911 . 1 251 72 72 TYR H H 8.4145 . 1 252 72 72 TYR CA C 55.9706 . 1 253 72 72 TYR CB C 38.8228 . 1 254 72 72 TYR N N 121.1561 . 1 255 73 73 SER H H 9.4542 . 1 256 73 73 SER CA C 57.0711 . 1 257 73 73 SER CB C 67.2885 . 1 258 73 73 SER N N 114.7669 . 1 259 74 74 GLN H H 9.0552 . 1 260 74 74 GLN CA C 59.0680 . 1 261 74 74 GLN CB C 28.1785 . 1 262 74 74 GLN N N 121.8938 . 1 263 75 75 ASN H H 8.1886 . 1 264 75 75 ASN CA C 54.9903 . 1 265 75 75 ASN CB C 38.1783 . 1 266 75 75 ASN N N 115.1494 . 1 267 76 76 ASP H H 7.8547 . 1 268 76 76 ASP CA C 55.6566 . 1 269 76 76 ASP CB C 42.6196 . 1 270 76 76 ASP N N 116.6107 . 1 271 77 77 LEU H H 7.1050 . 1 272 77 77 LEU CA C 55.3138 . 1 273 77 77 LEU CB C 41.9875 . 1 274 77 77 LEU N N 116.7293 . 1 275 78 78 VAL H H 7.7506 . 1 276 78 78 VAL CA C 58.9187 . 1 277 78 78 VAL CB C 34.4903 . 1 278 78 78 VAL N N 117.4292 . 1 279 79 79 GLU H H 8.5340 . 1 280 79 79 GLU CA C 57.7845 . 1 281 79 79 GLU CB C 30.0496 . 1 282 79 79 GLU N N 123.2849 . 1 283 80 80 TYR H H 8.6799 . 1 284 80 80 TYR CA C 60.4922 . 1 285 80 80 TYR CB C 36.1138 . 1 286 80 80 TYR N N 121.0914 . 1 287 81 81 SER H H 8.3572 . 1 288 81 81 SER CA C 55.7161 . 1 289 81 81 SER CB C 64.8584 . 1 290 81 81 SER N N 119.7163 . 1 291 82 82 PRO CA C 64.1428 . 1 292 82 82 PRO CB C 31.9101 . 1 293 83 83 VAL H H 8.6480 . 1 294 83 83 VAL CA C 64.5507 . 1 295 83 83 VAL CB C 33.2408 . 1 296 83 83 VAL N N 118.3876 . 1 297 84 84 THR H H 9.6503 . 1 298 84 84 THR CA C 63.9870 . 1 299 84 84 THR CB C 69.3088 . 1 300 84 84 THR N N 113.6686 . 1 301 85 85 GLU H H 8.1618 . 1 302 85 85 GLU CA C 58.7990 . 1 303 85 85 GLU CB C 28.4241 . 1 304 85 85 GLU N N 119.9936 . 1 305 86 86 LYS H H 7.4083 . 1 306 86 86 LYS CA C 55.7519 . 1 307 86 86 LYS CB C 32.5600 . 1 308 86 86 LYS N N 116.1877 . 1 309 87 87 HIS H H 7.1423 . 1 310 87 87 HIS CA C 55.1431 . 1 311 87 87 HIS CB C 28.6694 . 1 312 87 87 HIS N N 116.2270 . 1 313 88 88 LEU H H 7.9148 . 1 314 88 88 LEU N N 120.4051 . 1 315 89 89 THR H H 8.3075 . 1 316 89 89 THR N N 109.6167 . 1 317 91 91 GLY H H 7.8936 . 1 318 91 91 GLY CA C 45.0636 . 1 319 91 91 GLY N N 110.9145 . 1 320 92 92 MET H H 8.2404 . 1 321 92 92 MET CA C 54.9344 . 1 322 92 92 MET CB C 40.5324 . 1 323 92 92 MET N N 113.2670 . 1 324 93 93 THR H H 8.9147 . 1 325 93 93 THR CA C 60.0859 . 1 326 93 93 THR CB C 71.1187 . 1 327 93 93 THR N N 112.2235 . 1 328 94 94 VAL H H 8.1012 . 1 329 94 94 VAL CA C 68.1793 . 1 330 94 94 VAL CB C 31.6986 . 1 331 94 94 VAL N N 122.0560 . 1 332 95 95 ARG H H 9.0497 . 1 333 95 95 ARG CA C 60.1433 . 1 334 95 95 ARG CB C 31.2570 . 1 335 95 95 ARG N N 118.3324 . 1 336 96 96 GLU H H 7.6081 . 1 337 96 96 GLU CA C 58.3945 . 1 338 96 96 GLU CB C 30.0977 . 1 339 96 96 GLU N N 118.4520 . 1 340 97 97 LEU H H 9.0831 . 1 341 97 97 LEU CA C 58.0949 . 1 342 97 97 LEU CB C 41.0525 . 1 343 97 97 LEU N N 122.8909 . 1 344 98 98 CYS H H 8.1536 . 1 345 98 98 CYS CA C 62.2587 . 1 346 98 98 CYS CB C 42.3762 . 1 347 98 98 CYS N N 119.0663 . 1 348 99 99 SER H H 7.7001 . 1 349 99 99 SER CA C 61.4108 . 1 350 99 99 SER N N 113.3065 . 1 351 100 100 ALA H H 8.4955 . 1 352 100 100 ALA CA C 55.5991 . 1 353 100 100 ALA CB C 17.5139 . 1 354 100 100 ALA N N 124.8322 . 1 355 101 101 ALA H H 8.6648 . 1 356 101 101 ALA CA C 55.3220 . 1 357 101 101 ALA N N 120.9917 . 1 358 102 102 ILE H H 8.2536 . 1 359 102 102 ILE CA C 65.1942 . 1 360 102 102 ILE CB C 38.0351 . 1 361 102 102 ILE N N 113.9576 . 1 362 103 103 THR H H 8.9626 . 1 363 103 103 THR CA C 65.1594 . 1 364 103 103 THR CB C 70.5277 . 1 365 103 103 THR N N 109.4287 . 1 366 104 104 MET H H 6.7251 . 1 367 104 104 MET CA C 53.1005 . 1 368 104 104 MET CB C 33.6153 . 1 369 104 104 MET N N 114.0986 . 1 370 105 105 SER H H 7.1099 . 1 371 105 105 SER CA C 59.0151 . 1 372 105 105 SER CB C 63.7604 . 1 373 105 105 SER N N 114.1819 . 1 374 106 106 ASP H H 7.2751 . 1 375 106 106 ASP CA C 56.1381 . 1 376 106 106 ASP CB C 44.4423 . 1 377 106 106 ASP N N 120.1236 . 1 378 107 107 ASN H H 8.7988 . 1 379 107 107 ASN CA C 56.3024 . 1 380 107 107 ASN CB C 38.9722 . 1 381 107 107 ASN N N 127.5322 . 1 382 108 108 THR H H 7.6702 . 1 383 108 108 THR CA C 68.0382 . 1 384 108 108 THR CB C 67.1088 . 1 385 108 108 THR N N 120.1102 . 1 386 109 109 ALA H H 8.9105 . 1 387 109 109 ALA CA C 55.2739 . 1 388 109 109 ALA CB C 18.6355 . 1 389 109 109 ALA N N 122.8406 . 1 390 110 110 ALA H H 7.1254 . 1 391 110 110 ALA CA C 54.7380 . 1 392 110 110 ALA CB C 19.0743 . 1 393 110 110 ALA N N 115.3413 . 1 394 111 111 ASN H H 7.8811 . 1 395 111 111 ASN CA C 56.1217 . 1 396 111 111 ASN CB C 37.3130 . 1 397 111 111 ASN N N 119.5706 . 1 398 112 112 LEU H H 9.0565 . 1 399 112 112 LEU CA C 58.3178 . 1 400 112 112 LEU CB C 42.0324 . 1 401 112 112 LEU N N 121.4480 . 1 402 113 113 LEU H H 8.1033 . 1 403 113 113 LEU CA C 57.3900 . 1 404 113 113 LEU CB C 42.7489 . 1 405 113 113 LEU N N 119.1377 . 1 406 114 114 LEU H H 9.1088 . 1 407 114 114 LEU CA C 57.9368 . 1 408 114 114 LEU CB C 43.7484 . 1 409 114 114 LEU N N 124.2529 . 1 410 115 115 THR H H 8.7261 . 1 411 115 115 THR CA C 67.9482 . 1 412 115 115 THR N N 118.1204 . 1 413 116 116 THR H H 7.5858 . 1 414 116 116 THR CA C 65.3479 . 1 415 116 116 THR CB C 68.8832 . 1 416 116 116 THR N N 112.5020 . 1 417 117 117 ILE H H 6.8576 . 1 418 117 117 ILE CA C 60.9540 . 1 419 117 117 ILE CB C 38.8201 . 1 420 117 117 ILE N N 110.7842 . 1 421 118 118 GLY H H 7.4666 . 1 422 118 118 GLY CA C 45.0377 . 1 423 118 118 GLY N N 106.4288 . 1 424 119 119 GLY H H 8.1729 . 1 425 119 119 GLY N N 108.0883 . 1 426 120 120 PRO CA C 66.2497 . 1 427 120 120 PRO CB C 31.8489 . 1 428 121 121 LYS H H 8.6427 . 1 429 121 121 LYS CA C 59.5155 . 1 430 121 121 LYS N N 116.2123 . 1 431 122 122 GLU H H 7.2705 . 1 432 122 122 GLU CA C 57.0840 . 1 433 122 122 GLU CB C 29.3592 . 1 434 122 122 GLU N N 118.6481 . 1 435 123 123 LEU H H 7.6416 . 1 436 123 123 LEU CA C 57.4857 . 1 437 123 123 LEU CB C 40.3065 . 1 438 123 123 LEU N N 123.3544 . 1 439 124 124 THR H H 8.1948 . 1 440 124 124 THR CA C 67.9346 . 1 441 124 124 THR CB C 68.5808 . 1 442 124 124 THR N N 117.1259 . 1 443 125 125 ALA H H 7.8637 . 1 444 125 125 ALA CA C 55.7966 . 1 445 125 125 ALA CB C 17.9890 . 1 446 125 125 ALA N N 123.4408 . 1 447 126 126 PHE H H 7.7995 . 1 448 126 126 PHE CA C 61.1649 . 1 449 126 126 PHE CB C 38.2146 . 1 450 126 126 PHE N N 120.3949 . 1 451 127 127 LEU H H 8.0382 . 1 452 127 127 LEU CA C 57.6892 . 1 453 127 127 LEU CB C 39.9570 . 1 454 127 127 LEU N N 121.3691 . 1 455 128 128 HIS H H 8.8840 . 1 456 128 128 HIS CB C 28.5411 . 1 457 128 128 HIS N N 120.2901 . 1 458 129 129 ASN H H 8.4014 . 1 459 129 129 ASN CA C 55.3854 . 1 460 129 129 ASN CB C 38.1365 . 1 461 129 129 ASN N N 118.4826 . 1 462 130 130 MET H H 7.4724 . 1 463 130 130 MET CA C 55.3320 . 1 464 130 130 MET CB C 31.9840 . 1 465 130 130 MET N N 115.4696 . 1 466 131 131 GLY H H 7.6812 . 1 467 131 131 GLY CA C 45.2305 . 1 468 131 131 GLY N N 107.6232 . 1 469 132 132 ASP H H 7.9876 . 1 470 132 132 ASP CA C 52.3517 . 1 471 132 132 ASP CB C 39.8154 . 1 472 132 132 ASP N N 121.6908 . 1 473 133 133 HIS H H 8.2970 . 1 474 133 133 HIS CA C 54.2864 . 1 475 133 133 HIS CB C 29.0303 . 1 476 133 133 HIS N N 121.1049 . 1 477 134 134 VAL H H 8.8551 . 1 478 134 134 VAL CA C 63.9926 . 1 479 134 134 VAL CB C 34.8223 . 1 480 134 134 VAL N N 121.7754 . 1 481 135 135 THR H H 9.5069 . 1 482 135 135 THR CA C 64.7122 . 1 483 135 135 THR CB C 66.6445 . 1 484 135 135 THR N N 125.1594 . 1 485 136 136 ARG H H 8.5055 . 1 486 136 136 ARG CA C 54.1491 . 1 487 136 136 ARG CB C 32.8107 . 1 488 136 136 ARG N N 120.2730 . 1 489 137 137 LEU H H 7.6560 . 1 490 137 137 LEU CA C 52.9547 . 1 491 137 137 LEU CB C 45.7219 . 1 492 137 137 LEU N N 120.9156 . 1 493 138 138 ASP H H 10.1343 . 1 494 138 138 ASP CA C 55.2609 . 1 495 138 138 ASP CB C 45.8272 . 1 496 138 138 ASP N N 126.2768 . 1 497 139 139 ARG H H 9.0145 . 1 498 139 139 ARG CA C 55.2185 . 1 499 139 139 ARG CB C 34.7054 . 1 500 139 139 ARG N N 124.9035 . 1 501 140 140 TRP H H 7.7432 . 1 502 140 140 TRP CA C 54.9230 . 1 503 140 140 TRP CB C 29.1791 . 1 504 140 140 TRP N N 114.8194 . 1 505 141 141 GLU H H 9.5774 . 1 506 141 141 GLU CA C 54.8675 . 1 507 141 141 GLU CB C 27.8904 . 1 508 141 141 GLU N N 117.4054 . 1 509 142 142 PRO CA C 63.8037 . 1 510 142 142 PRO CB C 34.3869 . 1 511 143 143 GLU H H 8.6363 . 1 512 143 143 GLU CA C 60.9286 . 1 513 143 143 GLU CB C 29.3551 . 1 514 143 143 GLU N N 128.5539 . 1 515 144 144 LEU H H 7.8037 . 1 516 144 144 LEU CA C 57.2325 . 1 517 144 144 LEU CB C 40.6176 . 1 518 144 144 LEU N N 113.4765 . 1 519 145 145 ASN H H 7.6027 . 1 520 145 145 ASN CA C 54.0139 . 1 521 145 145 ASN N N 119.2432 . 1 522 146 146 GLU H H 7.4558 . 1 523 146 146 GLU CA C 60.9199 . 1 524 146 146 GLU CB C 30.7615 . 1 525 146 146 GLU N N 120.4536 . 1 526 147 147 ALA H H 9.4237 . 1 527 147 147 ALA CA C 52.0573 . 1 528 147 147 ALA CB C 17.8067 . 1 529 147 147 ALA N N 118.0733 . 1 530 148 148 ILE H H 8.5703 . 1 531 148 148 ILE CA C 59.9392 . 1 532 148 148 ILE CB C 37.1531 . 1 533 148 148 ILE N N 120.4554 . 1 534 149 149 PRO CA C 64.3078 . 1 535 149 149 PRO CB C 31.6294 . 1 536 150 150 ASN H H 8.8256 . 1 537 150 150 ASN CA C 55.1753 . 1 538 150 150 ASN CB C 37.4788 . 1 539 150 150 ASN N N 115.6899 . 1 540 151 151 ASP H H 7.5775 . 1 541 151 151 ASP CA C 53.3087 . 1 542 151 151 ASP CB C 42.1003 . 1 543 151 151 ASP N N 120.9060 . 1 544 152 152 GLU H H 8.9427 . 1 545 152 152 GLU CA C 56.8510 . 1 546 152 152 GLU CB C 29.9093 . 1 547 152 152 GLU N N 126.5993 . 1 548 153 153 ARG H H 8.0391 . 1 549 153 153 ARG CA C 57.2252 . 1 550 153 153 ARG CB C 30.6558 . 1 551 153 153 ARG N N 121.9743 . 1 552 154 154 ASP H H 8.7910 . 1 553 154 154 ASP CA C 55.6150 . 1 554 154 154 ASP CB C 42.5761 . 1 555 154 154 ASP N N 115.9054 . 1 556 155 155 THR H H 7.2422 . 1 557 155 155 THR CA C 59.8390 . 1 558 155 155 THR CB C 75.4159 . 1 559 155 155 THR N N 104.8525 . 1 560 156 156 THR H H 8.1921 . 1 561 156 156 THR CA C 59.8465 . 1 562 156 156 THR N N 111.2602 . 1 563 157 157 MET H H 8.5366 . 1 564 157 157 MET N N 118.0040 . 1 565 158 158 PRO CA C 67.3757 . 1 566 158 158 PRO CB C 32.6547 . 1 567 159 159 ALA H H 8.6699 . 1 568 159 159 ALA CA C 56.2305 . 1 569 159 159 ALA CB C 18.4722 . 1 570 159 159 ALA N N 114.9630 . 1 571 160 160 ALA H H 6.8420 . 1 572 160 160 ALA CA C 54.6913 . 1 573 160 160 ALA CB C 18.8000 . 1 574 160 160 ALA N N 120.8113 . 1 575 161 161 MET H H 8.2420 . 1 576 161 161 MET CA C 57.3496 . 1 577 161 161 MET CB C 31.4023 . 1 578 161 161 MET N N 115.9372 . 1 579 162 162 ALA H H 8.3009 . 1 580 162 162 ALA CA C 55.7996 . 1 581 162 162 ALA CB C 19.3145 . 1 582 162 162 ALA N N 118.1356 . 1 583 163 163 THR H H 7.6839 . 1 584 163 163 THR CA C 66.5223 . 1 585 163 163 THR CB C 68.9498 . 1 586 163 163 THR N N 112.3528 . 1 587 164 164 THR H H 8.9532 . 1 588 164 164 THR CA C 66.9495 . 1 589 164 164 THR CB C 67.7635 . 1 590 164 164 THR N N 124.4621 . 1 591 165 165 LEU H H 8.8560 . 1 592 165 165 LEU CA C 57.9984 . 1 593 165 165 LEU CB C 41.6079 . 1 594 165 165 LEU N N 121.3520 . 1 595 166 166 ARG H H 8.0968 . 1 596 166 166 ARG CA C 60.8502 . 1 597 166 166 ARG CB C 29.1677 . 1 598 166 166 ARG N N 118.2798 . 1 599 167 167 LYS H H 8.0519 . 1 600 167 167 LYS CA C 60.0768 . 1 601 167 167 LYS N N 120.8390 . 1 602 168 168 LEU H H 8.0272 . 1 603 168 168 LEU CA C 57.9143 . 1 604 168 168 LEU CB C 42.9014 . 1 605 168 168 LEU N N 117.3517 . 1 606 169 169 LEU H H 7.9707 . 1 607 169 169 LEU CA C 56.6215 . 1 608 169 169 LEU CB C 43.1300 . 1 609 169 169 LEU N N 111.3251 . 1 610 170 170 THR H H 7.9334 . 1 611 170 170 THR CA C 60.9469 . 1 612 170 170 THR CB C 72.2511 . 1 613 170 170 THR N N 105.4016 . 1 614 171 171 GLY H H 7.8992 . 1 615 171 171 GLY CA C 45.0634 . 1 616 171 171 GLY N N 110.4054 . 1 617 172 172 GLU H H 8.3620 . 1 618 172 172 GLU CA C 56.0035 . 1 619 172 172 GLU CB C 29.5657 . 1 620 172 172 GLU N N 116.7064 . 1 621 173 173 LEU H H 7.4461 . 1 622 173 173 LEU CA C 58.2180 . 1 623 173 173 LEU CB C 42.8440 . 1 624 173 173 LEU N N 122.6537 . 1 625 174 174 LEU H H 8.6426 . 1 626 174 174 LEU CA C 52.6466 . 1 627 174 174 LEU CB C 44.2814 . 1 628 174 174 LEU N N 118.1451 . 1 629 175 175 THR H H 8.9508 . 1 630 175 175 THR CA C 62.1246 . 1 631 175 175 THR CB C 71.7784 . 1 632 175 175 THR N N 112.5658 . 1 633 176 176 LEU H H 8.6821 . 1 634 176 176 LEU CA C 58.8934 . 1 635 176 176 LEU CB C 41.6189 . 1 636 176 176 LEU N N 122.9957 . 1 637 177 177 ALA H H 8.4278 . 1 638 177 177 ALA CA C 55.0305 . 1 639 177 177 ALA CB C 18.0626 . 1 640 177 177 ALA N N 118.7016 . 1 641 178 178 SER H H 7.7346 . 1 642 178 178 SER CA C 62.9374 . 1 643 178 178 SER N N 118.5046 . 1 644 179 179 ARG H H 9.0539 . 1 645 179 179 ARG CA C 60.4204 . 1 646 179 179 ARG CB C 31.1487 . 1 647 179 179 ARG N N 123.6881 . 1 648 180 180 GLN H H 8.2232 . 1 649 180 180 GLN CA C 57.7101 . 1 650 180 180 GLN CB C 28.2778 . 1 651 180 180 GLN N N 117.3800 . 1 652 181 181 GLN H H 7.5914 . 1 653 181 181 GLN CA C 57.0063 . 1 654 181 181 GLN CB C 28.6442 . 1 655 181 181 GLN N N 118.2089 . 1 656 182 182 LEU H H 7.9799 . 1 657 182 182 LEU CA C 58.1834 . 1 658 182 182 LEU CB C 41.6999 . 1 659 182 182 LEU N N 121.2306 . 1 660 183 183 ILE H H 7.8424 . 1 661 183 183 ILE CA C 65.6336 . 1 662 183 183 ILE CB C 38.1457 . 1 663 183 183 ILE N N 118.2727 . 1 664 184 184 ASP H H 8.6652 . 1 665 184 184 ASP CA C 57.5190 . 1 666 184 184 ASP CB C 40.0023 . 1 667 184 184 ASP N N 122.2940 . 1 668 185 185 TRP H H 7.9957 . 1 669 185 185 TRP CA C 59.7396 . 1 670 185 185 TRP CB C 28.9030 . 1 671 185 185 TRP N N 120.2790 . 1 672 186 186 MET H H 7.7327 . 1 673 186 186 MET CA C 59.4095 . 1 674 186 186 MET CB C 35.5319 . 1 675 186 186 MET N N 115.8881 . 1 676 187 187 GLU H H 9.6424 . 1 677 187 187 GLU CA C 59.8146 . 1 678 187 187 GLU CB C 29.7801 . 1 679 187 187 GLU N N 124.6633 . 1 680 188 188 ALA H H 7.3178 . 1 681 188 188 ALA CA C 51.9405 . 1 682 188 188 ALA CB C 18.7826 . 1 683 188 188 ALA N N 119.6614 . 1 684 189 189 ASP H H 6.9209 . 1 685 189 189 ASP CA C 54.9411 . 1 686 189 189 ASP CB C 39.0869 . 1 687 189 189 ASP N N 115.6808 . 1 688 190 190 LYS H H 9.4223 . 1 689 190 190 LYS CA C 56.3699 . 1 690 190 190 LYS CB C 35.2167 . 1 691 190 190 LYS N N 127.1780 . 1 692 191 191 VAL H H 7.1330 . 1 693 191 191 VAL CA C 60.6166 . 1 694 191 191 VAL CB C 31.5698 . 1 695 191 191 VAL N N 110.0468 . 1 696 192 192 ALA H H 8.8648 . 1 697 192 192 ALA CA C 50.4805 . 1 698 192 192 ALA CB C 20.7858 . 1 699 192 192 ALA N N 125.5007 . 1 700 193 193 GLY H H 8.9077 . 1 701 193 193 GLY CA C 48.8420 . 1 702 193 193 GLY N N 114.4848 . 1 703 194 194 PRO CA C 63.9288 . 1 704 194 194 PRO CB C 32.5905 . 1 705 195 195 LEU H H 6.7633 . 1 706 195 195 LEU CA C 51.8110 . 1 707 195 195 LEU CB C 39.8791 . 1 708 195 195 LEU N N 113.9962 . 1 709 196 196 LEU H H 6.8941 . 1 710 196 196 LEU CA C 58.0949 . 1 711 196 196 LEU CB C 42.2638 . 1 712 196 196 LEU N N 123.6964 . 1 713 197 197 ARG H H 8.8621 . 1 714 197 197 ARG CA C 59.8480 . 1 715 197 197 ARG CB C 29.9521 . 1 716 197 197 ARG N N 115.8310 . 1 717 198 198 SER H H 6.9729 . 1 718 198 198 SER CA C 61.0036 . 1 719 198 198 SER CB C 63.2913 . 1 720 198 198 SER N N 113.3685 . 1 721 199 199 ALA H H 7.2296 . 1 722 199 199 ALA CA C 50.5422 . 1 723 199 199 ALA CB C 19.4605 . 1 724 199 199 ALA N N 122.8032 . 1 725 200 200 LEU H H 6.6835 . 1 726 200 200 LEU CA C 53.0195 . 1 727 200 200 LEU CB C 43.9198 . 1 728 200 200 LEU N N 120.9229 . 1 729 201 201 PRO CA C 61.5354 . 1 730 201 201 PRO CB C 31.9998 . 1 731 202 202 ALA H H 8.2107 . 1 732 202 202 ALA CA C 53.4160 . 1 733 202 202 ALA CB C 18.3263 . 1 734 202 202 ALA N N 122.7306 . 1 735 203 203 GLY H H 8.7928 . 1 736 203 203 GLY CA C 45.3960 . 1 737 203 203 GLY N N 110.1092 . 1 738 204 204 TRP H H 7.6046 . 1 739 204 204 TRP CA C 59.0714 . 1 740 204 204 TRP CB C 28.9491 . 1 741 204 204 TRP N N 120.5982 . 1 742 205 205 PHE H H 9.3412 . 1 743 205 205 PHE CA C 56.7491 . 1 744 205 205 PHE CB C 42.2896 . 1 745 205 205 PHE N N 122.9147 . 1 746 206 206 ILE H H 7.5068 . 1 747 206 206 ILE CA C 60.5195 . 1 748 206 206 ILE CB C 40.3502 . 1 749 206 206 ILE N N 123.3046 . 1 750 207 207 ALA H H 8.4247 . 1 751 207 207 ALA CA C 50.6254 . 1 752 207 207 ALA CB C 21.4819 . 1 753 207 207 ALA N N 128.0506 . 1 754 208 208 ASP H H 8.2060 . 1 755 208 208 ASP CA C 52.9818 . 1 756 208 208 ASP CB C 45.2438 . 1 757 208 208 ASP N N 123.9106 . 1 758 209 209 LYS H H 7.9922 . 1 759 209 209 LYS CA C 55.7640 . 1 760 209 209 LYS CB C 34.8101 . 1 761 209 209 LYS N N 109.6616 . 1 762 210 210 SER H H 8.2652 . 1 763 210 210 SER N N 118.7521 . 1 764 211 211 GLY H H 8.6082 . 1 765 211 211 GLY N N 103.1359 . 1 766 212 212 ALA CA C 52.1681 . 1 767 212 212 ALA CB C 23.1840 . 1 768 213 213 GLY H H 7.8077 . 1 769 213 213 GLY N N 108.7294 . 1 770 214 214 GLU H H 8.0676 . 1 771 214 214 GLU CA C 56.1428 . 1 772 214 214 GLU CB C 30.1503 . 1 773 214 214 GLU N N 118.2001 . 1 774 215 215 ARG H H 9.3989 . 1 775 215 215 ARG CA C 57.2587 . 1 776 215 215 ARG N N 117.5145 . 1 777 216 216 GLY H H 8.7778 . 1 778 216 216 GLY CA C 46.4389 . 1 779 216 216 GLY N N 102.6648 . 1 780 217 217 SER H H 7.8290 . 1 781 217 217 SER CA C 60.1472 . 1 782 217 217 SER CB C 63.8534 . 1 783 217 217 SER N N 119.7199 . 1 784 218 218 ARG H H 8.8539 . 1 785 218 218 ARG CA C 54.4385 . 1 786 218 218 ARG CB C 34.7922 . 1 787 218 218 ARG N N 126.3655 . 1 788 219 219 GLY H H 8.4826 . 1 789 219 219 GLY CA C 46.0451 . 1 790 219 219 GLY N N 111.3331 . 1 791 220 220 ILE H H 9.0070 . 1 792 220 220 ILE CA C 59.7571 . 1 793 220 220 ILE CB C 40.8143 . 1 794 220 220 ILE N N 116.8210 . 1 795 221 221 ILE H H 8.0517 . 1 796 221 221 ILE CA C 58.1433 . 1 797 221 221 ILE CB C 39.8228 . 1 798 221 221 ILE N N 118.4709 . 1 799 222 222 ALA H H 8.9690 . 1 800 222 222 ALA CA C 51.3314 . 1 801 222 222 ALA CB C 24.4983 . 1 802 222 222 ALA N N 122.9390 . 1 803 223 223 ALA H H 9.2844 . 1 804 223 223 ALA CA C 50.3619 . 1 805 223 223 ALA CB C 20.3672 . 1 806 223 223 ALA N N 123.0125 . 1 807 224 224 LEU H H 9.2889 . 1 808 224 224 LEU CA C 55.1443 . 1 809 224 224 LEU CB C 46.5208 . 1 810 224 224 LEU N N 121.2438 . 1 811 225 225 GLY H H 8.7508 . 1 812 225 225 GLY CA C 46.8220 . 1 813 225 225 GLY N N 110.4422 . 1 814 227 227 ASP H H 7.9176 . 1 815 227 227 ASP CA C 54.9673 . 1 816 227 227 ASP CB C 39.3252 . 1 817 227 227 ASP N N 114.2403 . 1 818 228 228 GLY H H 7.7068 . 1 819 228 228 GLY CA C 46.8635 . 1 820 228 228 GLY N N 100.1733 . 1 821 229 229 LYS H H 7.1634 . 1 822 229 229 LYS CA C 52.3242 . 1 823 229 229 LYS CB C 34.6092 . 1 824 229 229 LYS N N 119.4020 . 1 825 230 230 PRO CA C 62.0819 . 1 826 230 230 PRO CB C 31.6493 . 1 827 231 231 SER H H 8.5028 . 1 828 231 231 SER CA C 59.0104 . 1 829 231 231 SER CB C 65.7602 . 1 830 231 231 SER N N 112.4871 . 1 831 232 232 ARG H H 8.8104 . 1 832 232 232 ARG CA C 55.8687 . 1 833 232 232 ARG CB C 36.0562 . 1 834 232 232 ARG N N 122.8891 . 1 835 233 233 ILE H H 9.2021 . 1 836 233 233 ILE CA C 58.5971 . 1 837 233 233 ILE CB C 40.9167 . 1 838 233 233 ILE N N 122.4471 . 1 839 234 234 VAL H H 9.1667 . 1 840 234 234 VAL CA C 59.7635 . 1 841 234 234 VAL N N 126.4628 . 1 842 235 235 VAL H H 8.2748 . 1 843 235 235 VAL CA C 60.5035 . 1 844 235 235 VAL CB C 35.6674 . 1 845 235 235 VAL N N 125.2777 . 1 846 236 236 ILE H H 8.3796 . 1 847 236 236 ILE CA C 59.9881 . 1 848 236 236 ILE CB C 41.7920 . 1 849 236 236 ILE N N 123.4232 . 1 850 237 237 TYR H H 8.7488 . 1 851 237 237 TYR CA C 57.0249 . 1 852 237 237 TYR CB C 46.0885 . 1 853 237 237 TYR N N 121.9594 . 1 854 238 238 THR H H 8.9295 . 1 855 238 238 THR CA C 59.7655 . 1 856 238 238 THR CB C 70.1330 . 1 857 238 238 THR N N 110.5839 . 1 858 239 239 THR H H 7.9339 . 1 859 239 239 THR CA C 64.1067 . 1 860 239 239 THR CB C 69.2070 . 1 861 239 239 THR N N 121.9036 . 1 862 240 240 GLY H H 8.7549 . 1 863 240 240 GLY CA C 45.6491 . 1 864 240 240 GLY N N 113.4770 . 1 865 241 241 SER H H 8.4382 . 1 866 241 241 SER CA C 59.1619 . 1 867 241 241 SER CB C 65.6393 . 1 868 241 241 SER N N 114.5151 . 1 869 242 242 GLN H H 8.9065 . 1 870 242 242 GLN CA C 55.7764 . 1 871 242 242 GLN CB C 29.0665 . 1 872 242 242 GLN N N 124.4456 . 1 873 243 243 ALA H H 8.7233 . 1 874 243 243 ALA CA C 52.1888 . 1 875 243 243 ALA CB C 20.4833 . 1 876 243 243 ALA N N 123.4272 . 1 877 244 244 THR H H 8.6010 . 1 878 244 244 THR CA C 61.6714 . 1 879 244 244 THR CB C 70.9642 . 1 880 244 244 THR N N 112.4561 . 1 881 245 245 MET H H 9.1010 . 1 882 245 245 MET CA C 57.8463 . 1 883 245 245 MET CB C 31.0662 . 1 884 245 245 MET N N 122.2737 . 1 885 246 246 ASP H H 8.3994 . 1 886 246 246 ASP CA C 57.8375 . 1 887 246 246 ASP CB C 40.6140 . 1 888 246 246 ASP N N 116.6686 . 1 889 247 247 GLU H H 7.6601 . 1 890 247 247 GLU CA C 59.1141 . 1 891 247 247 GLU CB C 29.9911 . 1 892 247 247 GLU N N 120.4723 . 1 893 248 248 ARG H H 8.0967 . 1 894 248 248 ARG CB C 31.1211 . 1 895 248 248 ARG N N 118.7353 . 1 896 249 249 ASN H H 8.7819 . 1 897 249 249 ASN CA C 55.2756 . 1 898 249 249 ASN CB C 37.2458 . 1 899 249 249 ASN N N 116.8383 . 1 900 250 250 ARG H H 8.0262 . 1 901 250 250 ARG CA C 59.3748 . 1 902 250 250 ARG CB C 30.2216 . 1 903 250 250 ARG N N 118.9370 . 1 904 251 251 GLN H H 7.7818 . 1 905 251 251 GLN CA C 58.2361 . 1 906 251 251 GLN CB C 27.5440 . 1 907 251 251 GLN N N 114.9109 . 1 908 252 252 ILE H H 7.4145 . 1 909 252 252 ILE CA C 65.8655 . 1 910 252 252 ILE CB C 36.4438 . 1 911 252 252 ILE N N 117.6597 . 1 912 253 253 ALA H H 8.7187 . 1 913 253 253 ALA CA C 56.0221 . 1 914 253 253 ALA CB C 17.7632 . 1 915 253 253 ALA N N 123.3531 . 1 916 254 254 GLU H H 8.3674 . 1 917 254 254 GLU CA C 59.6291 . 1 918 254 254 GLU CB C 29.6603 . 1 919 254 254 GLU N N 118.2684 . 1 920 255 255 ILE H H 7.9873 . 1 921 255 255 ILE CA C 66.6493 . 1 922 255 255 ILE CB C 38.0185 . 1 923 255 255 ILE N N 123.4385 . 1 924 256 256 GLY H H 8.3495 . 1 925 256 256 GLY CA C 47.6476 . 1 926 256 256 GLY N N 105.9674 . 1 927 257 257 ALA H H 8.6203 . 1 928 257 257 ALA CA C 55.2327 . 1 929 257 257 ALA CB C 17.7538 . 1 930 257 257 ALA N N 122.3295 . 1 931 258 258 SER H H 7.4544 . 1 932 258 258 SER CB C 62.8588 . 1 933 258 258 SER N N 112.9966 . 1 934 259 259 LEU H H 8.2115 . 1 935 259 259 LEU CA C 57.8923 . 1 936 259 259 LEU CB C 40.8026 . 1 937 259 259 LEU N N 122.8302 . 1 938 260 260 ILE H H 7.9763 . 1 939 260 260 ILE CA C 63.8274 . 1 940 260 260 ILE CB C 37.4655 . 1 941 260 260 ILE N N 118.7740 . 1 942 261 261 LYS H H 8.1309 . 1 943 261 261 LYS CA C 58.9113 . 1 944 261 261 LYS CB C 32.5184 . 1 945 261 261 LYS N N 120.8575 . 1 946 262 262 HIS H H 7.6081 . 1 947 262 262 HIS CA C 54.4713 . 1 948 262 262 HIS CB C 27.6424 . 1 949 262 262 HIS N N 113.5900 . 1 950 263 263 TRP H H 7.2351 . 1 951 263 263 TRP CA C 62.3261 . 1 952 263 263 TRP CB C 30.4490 . 1 953 263 263 TRP N N 128.6557 . 1 stop_ save_