data_16598 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone resonance assignments of cTEM-17m, a TEM-1/PSE-4 class A beta-lactamases chimera ; _BMRB_accession_number 16598 _BMRB_flat_file_name bmr16598.str _Entry_type new _Submission_date 2009-11-06 _Accession_date 2009-11-06 _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 Morin Sebastien . . 2 Clouthier Christopher . . 3 Gobeil Sophie . . 4 Gagne Stephane M. . 5 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" 228 "13C chemical shifts" 680 "15N chemical shifts" 228 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-05 update BMRB 'Update entry citation' 2010-05-05 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 6838 'PSE-4 (chemical shifts + dynamics)' 6024 'TEM-1 E28G (chemical shifts)' 6357 'TEM-1 WT (chemical shifts)' 7236 'TEM-1 Y105W (chemical shifts)' 7237 'TEM-1 Y105G (chemical shifts)' 7238 'TEM-1 Y105N (chemical shifts)' 7239 'TEM-1 Y105D (chemical shifts)' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone resonance assignments of an artificially engineered TEM-1/PSE-4 Class A -lactamase chimera.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20383614 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morin Sebastien . . 2 Clouthier Christopher M. . 3 Gobeil Sophie . . 4 Pelletier Joelle N. . 5 Gagne Stephane M. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 127 _Page_last 130 _Year 2010 _Details . loop_ _Keyword cTEM-17m TEM-1 PSE-4 chimera beta-lactamase stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name cTEM-17m _Enzyme_commission_number 3.5.2.6 loop_ _Mol_system_component_name _Mol_label cTEM-17m $cTEM-17m stop_ _System_molecular_weight 28838.9 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Hydrolysis of the beta-lactam ring in beta-lactam antibiotics.' stop_ _Database_query_date . _Details 'A chimera between the two class A beta-lactamases TEM-1 and PSE-4.' save_ ######################## # Monomeric polymers # ######################## save_cTEM-17m _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cTEM-17m _Molecular_mass 28838.9 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Hydrolysis of the beta-lactam ring of beta-lactama antibiotics.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 263 _Mol_residue_sequence ; HPETLVKVKDAEDQLGARVG YIELDLNSGKILESFRPEER FPMMSTFKVLLCGAVLSRVD AGQEQLGRRIHYSQNDLVEY SPVTEKHLTDGMTVRELCSA AITMSDNTAANLLLTTIGGP KELTDFLRQIGDKETRLDRI EPDLNEGKLGDLRDTTTPKA IASTLRKLLTGELLTLASRQ 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 MET 44 MET 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 ASP 126 PHE 127 LEU 128 ARG 129 GLN 130 ILE 131 GLY 132 ASP 133 LYS 134 GLU 135 THR 136 ARG 137 LEU 138 ASP 139 ARG 140 ILE 141 GLU 142 PRO 143 ASP 144 LEU 145 ASN 146 GLU 147 GLY 148 LYS 149 LEU 150 GLY 151 ASP 152 LEU 153 ARG 154 ASP 155 THR 156 THR 157 THR 158 PRO 159 LYS 160 ALA 161 ILE 162 ALA 163 SER 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 2015-11-18 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 4ID4 "Crystal Structure Of Chimeric Beta-lactamase Ctem-17m" 100.00 263 100.00 100.00 0.00e+00 PDB 4QY5 "Crystal Structures Of Chimeric Beta-lactamase Ctem-19m Showing Different Conformations" 100.00 263 99.24 99.62 0.00e+00 PDB 4QY6 "Crystal Structures Of Chimeric Beta-lactamase Ctem-19m Showing Different Conformations" 100.00 263 99.24 99.62 0.00e+00 PDB 4R4R "Crystal Structure Of Chimeric Beta-lactamase Ctem-19m At 1.2 Angstrom Resolution" 100.00 263 99.24 99.62 0.00e+00 PDB 4R4S "Crystal Structure Of Chimeric Beta-lactamase Ctem-19m At 1.1 Angstrom Resolution" 100.00 263 99.24 99.62 0.00e+00 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide cTEM-17m 52 CYS SG cTEM-17m 98 CYS SG stop_ loop_ _Deleted_atom_mol_system_component_name _Deleted_atom_residue_seq_code _Deleted_atom_residue_label _Deleted_atom_name cTEM-17m 52 CYS HG cTEM-17m 98 CYS HG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $cTEM-17m . . . . . . 'This protein is a chimera made of two class A beta-lactamases: TEM-1 and PSE-4.' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $cTEM-17m 'recombinant technology' . Escherichia coli BL21 DE3 pET24 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N-labeled cTEM-17m' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' imidazole 0.3 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' $cTEM-17m 0.4 mM '[U-98% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N-13C-labeled cTEM-17m' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' imidazole 0.3 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' $cTEM-17m 0.4 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details ; NMRPipe provides comprehensive facilities for Fourier processing of spectra, as well as a variety of facilities for spectral display and analysis. ; save_ save_SMARTNOTEBOOK _Saveframe_category software _Name SMARTNOTEBOOK _Version 5.1.3 loop_ _Vendor _Address _Electronic_address 'PENCE (The Canadian Protein Engineering Network' . http://www.pence.ca/pence/en/ stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Smartnotebook is a program to help sequential spectral assignment within NMRVIEW.' save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details 'NMRView is a program for the visualization and analysis of NMR datasets.' save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.1_B loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details 'VnmrJ is the program used to run the Varian INOVA 600 MHz spectrometer.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Equipped with cold probe.' 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-TROSY-HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TROSY-HNCO _Sample_label $sample_2 save_ save_3D-TROSY-HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TROSY-HNCA _Sample_label $sample_2 save_ save_3D-TROSY-HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TROSY-HN(CO)CA _Sample_label $sample_2 save_ save_3D-TROSY-HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TROSY-HNCACB _Sample_label $sample_2 save_ save_3D-TROSY-CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TROSY-CBCA(CO)NH _Sample_label $sample_2 save_ save_3D-TROSY-(HN)CO(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TROSY-(HN)CO(CO)NH _Sample_label $sample_2 save_ save_1H-15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N_HSQC _BMRB_pulse_sequence_accession_number . _Details 'HSQC gradient sensitivity enhanced version for N15 from Varian Biopack.' save_ save_3D-TROSY-HNCO _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TROSY-HNCO _BMRB_pulse_sequence_accession_number . _Details '3D HNCO gradient sensitivity enhanced version from Varian Biopack. Correlates CO(i) with N(i+1), NH(i+1). Uses constant time evolution for the 15N shifts. Recorded in TROSY mode.' save_ save_3D-TROSY-HNCA _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TROSY-HNCA _BMRB_pulse_sequence_accession_number . _Details '3D HNCA gradient sensitivity enhanced version from Varian Biopack. Correlates Ca(i) with N(i), NH(i), and N(i+1), NH(i+1). Uses constant time evolution for the 15N shifts. Recorded in TROSY mode.' save_ save_3D-TROSY-HN(CO)CA _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TROSY-HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details ; 3D HNCOCA gradient sensitivity enhanced version from Varian Biopack. Correlates Ca(i) with N(i+1), NH(i+1). Uses constant time evolution for the 15N shifts. Recorded in TROSY mode. ; save_ save_3D-TROSY-HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TROSY-HNCACB _BMRB_pulse_sequence_accession_number . _Details '3D HNCACB gradient sensitivity enhanced version from Varian Biopack. Correlates Ca(i) and Cb(i) with N(i), NH(i), and N(i+1), NH(i+1). Uses constant time evolution for the 15N shifts. Recorded in TROSY mode.' save_ save_3D-TROSY-CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TROSY-CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details '3D CBCA(CO)NH gradient sensitivity enhanced version from Varian Biopack. Correlates Cb(i),Ca(i) with N(i+1), NH(i+1). Uses constant time evolution for the CaCb shifts and for the 15N shifts. Recorded in TROSY mode.' save_ save_3D-TROSY-(HN)CO(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name 3D-TROSY-(HN)CO(CO)NH _BMRB_pulse_sequence_accession_number . _Details '3D (HN)CO(CO)NH gradient sensitivity enhanced version from Varian Biopack. Recorded in TROSY monde.' save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 304.65 0.2 K pH 6.7 0.1 pH pressure 1 . atm 'ionic strength' 0 0.002 M 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 DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 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 $SMARTNOTEBOOK $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' 3D-TROSY-HNCO 3D-TROSY-HNCA 3D-TROSY-HN(CO)CA 3D-TROSY-HNCACB 3D-TROSY-CBCA(CO)NH 3D-TROSY-(HN)CO(CO)NH stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name cTEM-17m _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 2 2 PRO C C 179.290 0.2 1 2 2 2 PRO CA C 65.568 0.2 1 3 2 2 PRO CB C 32.340 0.2 1 4 3 3 GLU H H 11.040 0.05 1 5 3 3 GLU C C 179.520 0.2 1 6 3 3 GLU CA C 59.690 0.2 1 7 3 3 GLU CB C 28.676 0.2 1 8 3 3 GLU N N 121.750 0.2 1 9 4 4 THR H H 7.750 0.05 1 10 4 4 THR C C 176.070 0.2 1 11 4 4 THR CA C 65.090 0.2 1 12 4 4 THR CB C 67.760 0.2 1 13 4 4 THR N N 118.850 0.2 1 14 5 5 LEU H H 7.060 0.05 1 15 5 5 LEU C C 178.960 0.2 1 16 5 5 LEU CA C 57.500 0.2 1 17 5 5 LEU CB C 40.950 0.2 1 18 5 5 LEU N N 119.790 0.2 1 19 6 6 VAL H H 7.500 0.05 1 20 6 6 VAL C C 178.330 0.2 1 21 6 6 VAL CA C 66.890 0.2 1 22 6 6 VAL CB C 31.330 0.2 1 23 6 6 VAL N N 119.720 0.2 1 24 7 7 LYS H H 7.250 0.05 1 25 7 7 LYS C C 178.450 0.2 1 26 7 7 LYS CA C 57.170 0.2 1 27 7 7 LYS CB C 30.380 0.2 1 28 7 7 LYS N N 119.230 0.2 1 29 8 8 VAL H H 8.280 0.05 1 30 8 8 VAL C C 176.710 0.2 1 31 8 8 VAL CA C 67.210 0.2 1 32 8 8 VAL CB C 31.130 0.2 1 33 8 8 VAL N N 122.700 0.2 1 34 9 9 LYS H H 7.690 0.05 1 35 9 9 LYS C C 179.300 0.2 1 36 9 9 LYS CA C 59.870 0.2 1 37 9 9 LYS CB C 31.880 0.2 1 38 9 9 LYS N N 118.650 0.2 1 39 10 10 ASP H H 8.300 0.05 1 40 10 10 ASP C C 178.150 0.2 1 41 10 10 ASP CA C 57.400 0.2 1 42 10 10 ASP CB C 41.830 0.2 1 43 10 10 ASP N N 120.320 0.2 1 44 11 11 ALA H H 8.450 0.05 1 45 11 11 ALA C C 179.520 0.2 1 46 11 11 ALA CA C 55.440 0.2 1 47 11 11 ALA CB C 18.370 0.2 1 48 11 11 ALA N N 122.160 0.2 1 49 12 12 GLU H H 7.920 0.05 1 50 12 12 GLU C C 180.380 0.2 1 51 12 12 GLU CA C 61.020 0.2 1 52 12 12 GLU CB C 29.310 0.2 1 53 12 12 GLU N N 117.670 0.2 1 54 13 13 ASP H H 7.920 0.05 1 55 13 13 ASP C C 179.150 0.2 1 56 13 13 ASP CA C 57.230 0.2 1 57 13 13 ASP CB C 40.920 0.2 1 58 13 13 ASP N N 119.880 0.2 1 59 14 14 GLN H H 8.830 0.05 1 60 14 14 GLN C C 179.100 0.2 1 61 14 14 GLN CA C 58.560 0.2 1 62 14 14 GLN CB C 28.570 0.2 1 63 14 14 GLN N N 118.470 0.2 1 64 15 15 LEU H H 8.690 0.05 1 65 15 15 LEU C C 178.920 0.2 1 66 15 15 LEU CA C 54.830 0.2 1 67 15 15 LEU CB C 42.890 0.2 1 68 15 15 LEU N N 114.390 0.2 1 69 16 16 GLY H H 8.070 0.05 1 70 16 16 GLY C C 174.040 0.2 1 71 16 16 GLY CA C 47.340 0.2 1 72 16 16 GLY N N 112.840 0.2 1 73 17 17 ALA H H 7.730 0.05 1 74 17 17 ALA C C 174.910 0.2 1 75 17 17 ALA CA C 50.720 0.2 1 76 17 17 ALA CB C 24.180 0.2 1 77 17 17 ALA N N 119.680 0.2 1 78 18 18 ARG H H 7.630 0.05 1 79 18 18 ARG C C 177.530 0.2 1 80 18 18 ARG CA C 55.750 0.2 1 81 18 18 ARG CB C 33.290 0.2 1 82 18 18 ARG N N 115.560 0.2 1 83 19 19 VAL H H 10.560 0.05 1 84 19 19 VAL C C 172.740 0.2 1 85 19 19 VAL CA C 61.290 0.2 1 86 19 19 VAL CB C 34.248 0.2 1 87 19 19 VAL N N 128.190 0.2 1 88 20 20 GLY H H 8.800 0.05 1 89 20 20 GLY C C 172.360 0.2 1 90 20 20 GLY CA C 44.090 0.2 1 91 20 20 GLY N N 111.280 0.2 1 92 21 21 TYR H H 9.460 0.05 1 93 21 21 TYR C C 174.340 0.2 1 94 21 21 TYR CA C 56.700 0.2 1 95 21 21 TYR CB C 45.220 0.2 1 96 21 21 TYR N N 124.000 0.2 1 97 22 22 ILE H H 8.000 0.05 1 98 22 22 ILE C C 170.483 0.2 1 99 22 22 ILE CA C 60.560 0.2 1 100 22 22 ILE CB C 42.670 0.2 1 101 22 22 ILE N N 125.800 0.2 1 102 23 23 GLU H H 7.740 0.05 1 103 23 23 GLU C C 175.240 0.2 1 104 23 23 GLU CA C 54.160 0.2 1 105 23 23 GLU CB C 34.617 0.2 1 106 23 23 GLU N N 123.410 0.2 1 107 24 24 LEU H H 9.680 0.05 1 108 24 24 LEU C C 176.020 0.2 1 109 24 24 LEU CA C 53.060 0.2 1 110 24 24 LEU CB C 47.120 0.2 1 111 24 24 LEU N N 125.690 0.2 1 112 25 25 ASP H H 9.030 0.05 1 113 25 25 ASP C C 176.900 0.2 1 114 25 25 ASP CA C 55.540 0.2 1 115 25 25 ASP CB C 43.250 0.2 1 116 25 25 ASP N N 125.520 0.2 1 117 26 26 LEU H H 8.230 0.05 1 118 26 26 LEU C C 177.370 0.2 1 119 26 26 LEU CA C 58.850 0.2 1 120 26 26 LEU CB C 43.220 0.2 1 121 26 26 LEU N N 129.210 0.2 1 122 27 27 ASN H H 8.630 0.05 1 123 27 27 ASN C C 177.210 0.2 1 124 27 27 ASN CA C 56.380 0.2 1 125 27 27 ASN CB C 38.830 0.2 1 126 27 27 ASN N N 116.010 0.2 1 127 28 28 SER H H 8.600 0.05 1 128 28 28 SER C C 176.530 0.2 1 129 28 28 SER CA C 59.190 0.2 1 130 28 28 SER CB C 65.840 0.2 1 131 28 28 SER N N 113.000 0.2 1 132 29 29 GLY H H 8.000 0.05 1 133 29 29 GLY C C 172.410 0.2 1 134 29 29 GLY CA C 45.630 0.2 1 135 29 29 GLY N N 112.450 0.2 1 136 30 30 LYS H H 7.720 0.05 1 137 30 30 LYS C C 175.960 0.2 1 138 30 30 LYS CA C 56.880 0.2 1 139 30 30 LYS CB C 33.710 0.2 1 140 30 30 LYS N N 119.780 0.2 1 141 31 31 ILE H H 8.640 0.05 1 142 31 31 ILE C C 176.160 0.2 1 143 31 31 ILE CA C 62.470 0.2 1 144 31 31 ILE CB C 37.580 0.2 1 145 31 31 ILE N N 124.900 0.2 1 146 32 32 LEU H H 8.890 0.05 1 147 32 32 LEU C C 176.940 0.2 1 148 32 32 LEU CA C 55.840 0.2 1 149 32 32 LEU CB C 42.230 0.2 1 150 32 32 LEU N N 130.570 0.2 1 151 33 33 GLU H H 7.540 0.05 1 152 33 33 GLU C C 174.450 0.2 1 153 33 33 GLU CA C 54.980 0.2 1 154 33 33 GLU CB C 33.880 0.2 1 155 33 33 GLU N N 116.130 0.2 1 156 34 34 SER H H 9.050 0.05 1 157 34 34 SER C C 171.670 0.2 1 158 34 34 SER CA C 58.450 0.2 1 159 34 34 SER CB C 66.960 0.2 1 160 34 34 SER N N 115.660 0.2 1 161 35 35 PHE H H 9.560 0.05 1 162 35 35 PHE C C 173.110 0.2 1 163 35 35 PHE CA C 59.930 0.2 1 164 35 35 PHE CB C 43.750 0.2 1 165 35 35 PHE N N 121.590 0.2 1 166 36 36 ARG H H 8.780 0.05 1 167 36 36 ARG CA C 57.850 0.2 1 168 36 36 ARG CB C 28.600 0.2 1 169 36 36 ARG N N 121.790 0.2 1 170 37 37 PRO C C 176.610 0.2 1 171 37 37 PRO CA C 65.314 0.2 1 172 37 37 PRO CB C 32.650 0.2 1 173 38 38 GLU H H 8.420 0.05 1 174 38 38 GLU C C 176.210 0.2 1 175 38 38 GLU CA C 54.810 0.2 1 176 38 38 GLU CB C 29.740 0.2 1 177 38 38 GLU N N 114.070 0.2 1 178 39 39 GLU H H 7.150 0.05 1 179 39 39 GLU C C 174.190 0.2 1 180 39 39 GLU CA C 56.180 0.2 1 181 39 39 GLU CB C 31.270 0.2 1 182 39 39 GLU N N 120.440 0.2 1 183 40 40 ARG H H 7.920 0.05 1 184 40 40 ARG C C 177.300 0.2 1 185 40 40 ARG CA C 55.080 0.2 1 186 40 40 ARG CB C 31.970 0.2 1 187 40 40 ARG N N 115.620 0.2 1 188 41 41 PHE H H 8.760 0.05 1 189 41 41 PHE CA C 55.670 0.2 1 190 41 41 PHE CB C 42.380 0.2 1 191 41 41 PHE N N 118.360 0.2 1 192 42 42 PRO C C 174.475 0.2 1 193 43 43 MET H H 7.862 0.05 1 194 43 43 MET C C 179.789 0.2 1 195 43 43 MET CA C 58.424 0.2 1 196 43 43 MET N N 119.515 0.2 1 197 44 44 MET H H 10.488 0.05 1 198 44 44 MET CA C 56.498 0.2 1 199 44 44 MET N N 120.181 0.2 1 200 45 45 SER C C 176.090 0.2 1 201 45 45 SER CA C 57.812 0.2 1 202 46 46 THR H H 7.900 0.05 1 203 46 46 THR C C 175.270 0.2 1 204 46 46 THR CA C 66.060 0.2 1 205 46 46 THR N N 112.010 0.2 1 206 47 47 PHE H H 7.680 0.05 1 207 47 47 PHE C C 176.860 0.2 1 208 47 47 PHE CA C 59.400 0.2 1 209 47 47 PHE CB C 39.650 0.2 1 210 47 47 PHE N N 116.730 0.2 1 211 48 48 LYS H H 7.430 0.05 1 212 48 48 LYS C C 177.480 0.2 1 213 48 48 LYS CA C 60.170 0.2 1 214 48 48 LYS CB C 31.900 0.2 1 215 48 48 LYS N N 122.390 0.2 1 216 49 49 VAL H H 6.660 0.05 1 217 49 49 VAL C C 176.040 0.2 1 218 49 49 VAL CA C 66.200 0.2 1 219 49 49 VAL CB C 32.650 0.2 1 220 49 49 VAL N N 114.670 0.2 1 221 50 50 LEU H H 6.740 0.05 1 222 50 50 LEU C C 178.060 0.2 1 223 50 50 LEU CA C 57.260 0.2 1 224 50 50 LEU CB C 40.640 0.2 1 225 50 50 LEU N N 117.750 0.2 1 226 51 51 LEU H H 7.990 0.05 1 227 51 51 LEU C C 177.240 0.2 1 228 51 51 LEU CA C 57.540 0.2 1 229 51 51 LEU CB C 42.440 0.2 1 230 51 51 LEU N N 116.970 0.2 1 231 52 52 CYS H H 7.460 0.05 1 232 52 52 CYS C C 175.620 0.2 1 233 52 52 CYS CA C 63.810 0.2 1 234 52 52 CYS CB C 44.870 0.2 1 235 52 52 CYS N N 113.680 0.2 1 236 53 53 GLY H H 8.380 0.05 1 237 53 53 GLY C C 173.170 0.2 1 238 53 53 GLY CA C 47.960 0.2 1 239 53 53 GLY N N 110.860 0.2 1 240 54 54 ALA H H 7.870 0.05 1 241 54 54 ALA C C 180.700 0.2 1 242 54 54 ALA CA C 54.990 0.2 1 243 54 54 ALA CB C 17.120 0.2 1 244 54 54 ALA N N 124.380 0.2 1 245 55 55 VAL H H 7.960 0.05 1 246 55 55 VAL C C 177.900 0.2 1 247 55 55 VAL CA C 66.930 0.2 1 248 55 55 VAL CB C 32.200 0.2 1 249 55 55 VAL N N 118.940 0.2 1 250 56 56 LEU H H 8.420 0.05 1 251 56 56 LEU C C 178.070 0.2 1 252 56 56 LEU CA C 57.900 0.2 1 253 56 56 LEU CB C 40.830 0.2 1 254 56 56 LEU N N 119.120 0.2 1 255 57 57 SER H H 8.050 0.05 1 256 57 57 SER C C 178.010 0.2 1 257 57 57 SER CA C 61.950 0.2 1 258 57 57 SER CB C 62.370 0.2 1 259 57 57 SER N N 115.560 0.2 1 260 58 58 ARG H H 7.510 0.05 1 261 58 58 ARG C C 179.380 0.2 1 262 58 58 ARG CA C 59.340 0.2 1 263 58 58 ARG CB C 30.320 0.2 1 264 58 58 ARG N N 121.430 0.2 1 265 59 59 VAL H H 8.350 0.05 1 266 59 59 VAL C C 180.810 0.2 1 267 59 59 VAL CA C 65.090 0.2 1 268 59 59 VAL CB C 31.090 0.2 1 269 59 59 VAL N N 124.230 0.2 1 270 60 60 ASP H H 9.010 0.05 1 271 60 60 ASP C C 177.780 0.2 1 272 60 60 ASP CA C 57.290 0.2 1 273 60 60 ASP CB C 40.800 0.2 1 274 60 60 ASP N N 123.500 0.2 1 275 61 61 ALA H H 7.520 0.05 1 276 61 61 ALA C C 177.920 0.2 1 277 61 61 ALA CA C 52.320 0.2 1 278 61 61 ALA CB C 19.480 0.2 1 279 61 61 ALA N N 118.750 0.2 1 280 62 62 GLY H H 8.190 0.05 1 281 62 62 GLY C C 174.930 0.2 1 282 62 62 GLY CA C 45.760 0.2 1 283 62 62 GLY N N 107.600 0.2 1 284 63 63 GLN H H 8.370 0.05 1 285 63 63 GLN C C 173.560 0.2 1 286 63 63 GLN CA C 55.630 0.2 1 287 63 63 GLN CB C 30.100 0.2 1 288 63 63 GLN N N 117.340 0.2 1 289 64 64 GLU H H 7.360 0.05 1 290 64 64 GLU C C 172.700 0.2 1 291 64 64 GLU CA C 52.930 0.2 1 292 64 64 GLU CB C 33.670 0.2 1 293 64 64 GLU N N 118.050 0.2 1 294 65 65 GLN H H 10.130 0.05 1 295 65 65 GLN C C 176.030 0.2 1 296 65 65 GLN CA C 54.850 0.2 1 297 65 65 GLN CB C 31.460 0.2 1 298 65 65 GLN N N 125.120 0.2 1 299 66 66 LEU H H 9.020 0.05 1 300 66 66 LEU C C 177.350 0.2 1 301 66 66 LEU CA C 57.650 0.2 1 302 66 66 LEU CB C 41.570 0.2 1 303 66 66 LEU N N 122.960 0.2 1 304 67 67 GLY H H 8.360 0.05 1 305 67 67 GLY C C 173.820 0.2 1 306 67 67 GLY CA C 44.520 0.2 1 307 67 67 GLY N N 102.011 0.2 1 308 68 68 ARG H H 7.320 0.05 1 309 68 68 ARG C C 174.700 0.2 1 310 68 68 ARG CA C 58.020 0.2 1 311 68 68 ARG CB C 31.920 0.2 1 312 68 68 ARG N N 122.530 0.2 1 313 69 69 ARG H H 8.500 0.05 1 314 69 69 ARG C C 174.470 0.2 1 315 69 69 ARG CA C 56.550 0.2 1 316 69 69 ARG CB C 31.660 0.2 1 317 69 69 ARG N N 127.260 0.2 1 318 70 70 ILE H H 9.080 0.05 1 319 70 70 ILE C C 174.510 0.2 1 320 70 70 ILE CA C 60.240 0.2 1 321 70 70 ILE CB C 38.940 0.2 1 322 70 70 ILE N N 130.220 0.2 1 323 71 71 HIS H H 8.440 0.05 1 324 71 71 HIS C C 174.150 0.2 1 325 71 71 HIS CA C 55.400 0.2 1 326 71 71 HIS CB C 31.040 0.2 1 327 71 71 HIS N N 124.650 0.2 1 328 72 72 TYR H H 8.490 0.05 1 329 72 72 TYR C C 173.020 0.2 1 330 72 72 TYR CA C 55.990 0.2 1 331 72 72 TYR CB C 38.760 0.2 1 332 72 72 TYR N N 120.950 0.2 1 333 73 73 SER H H 9.420 0.05 1 334 73 73 SER C C 175.650 0.2 1 335 73 73 SER CA C 57.010 0.2 1 336 73 73 SER CB C 67.380 0.2 1 337 73 73 SER N N 114.570 0.2 1 338 74 74 GLN H H 9.070 0.05 1 339 74 74 GLN C C 177.950 0.2 1 340 74 74 GLN CA C 59.100 0.2 1 341 74 74 GLN CB C 28.210 0.2 1 342 74 74 GLN N N 121.880 0.2 1 343 75 75 ASN H H 8.210 0.05 1 344 75 75 ASN C C 175.610 0.2 1 345 75 75 ASN CA C 55.080 0.2 1 346 75 75 ASN CB C 38.190 0.2 1 347 75 75 ASN N N 115.180 0.2 1 348 76 76 ASP H H 7.890 0.05 1 349 76 76 ASP C C 175.600 0.2 1 350 76 76 ASP CA C 55.760 0.2 1 351 76 76 ASP CB C 42.680 0.2 1 352 76 76 ASP N N 116.650 0.2 1 353 77 77 LEU H H 7.120 0.05 1 354 77 77 LEU C C 177.940 0.2 1 355 77 77 LEU CA C 55.340 0.2 1 356 77 77 LEU CB C 41.980 0.2 1 357 77 77 LEU N N 116.770 0.2 1 358 78 78 VAL H H 7.730 0.05 1 359 78 78 VAL C C 176.560 0.2 1 360 78 78 VAL CA C 58.830 0.2 1 361 78 78 VAL CB C 34.470 0.2 1 362 78 78 VAL N N 117.160 0.2 1 363 79 79 GLU H H 8.510 0.05 1 364 79 79 GLU C C 174.930 0.2 1 365 79 79 GLU CA C 57.930 0.2 1 366 79 79 GLU CB C 30.230 0.2 1 367 79 79 GLU N N 123.220 0.2 1 368 80 80 TYR H H 8.670 0.05 1 369 80 80 TYR C C 172.120 0.2 1 370 80 80 TYR CA C 60.520 0.2 1 371 80 80 TYR CB C 36.130 0.2 1 372 80 80 TYR N N 121.230 0.2 1 373 81 81 SER H H 8.340 0.05 1 374 81 81 SER CA C 55.810 0.2 1 375 81 81 SER CB C 64.940 0.2 1 376 81 81 SER N N 119.730 0.2 1 377 82 82 PRO C C 177.740 0.2 1 378 82 82 PRO CA C 64.094 0.2 1 379 82 82 PRO CB C 31.942 0.2 1 380 83 83 VAL H H 8.660 0.05 1 381 83 83 VAL C C 179.060 0.2 1 382 83 83 VAL CA C 64.570 0.2 1 383 83 83 VAL CB C 33.140 0.2 1 384 83 83 VAL N N 118.380 0.2 1 385 84 84 THR H H 9.630 0.05 1 386 84 84 THR C C 181.920 0.2 1 387 84 84 THR CA C 63.970 0.2 1 388 84 84 THR CB C 69.270 0.2 1 389 84 84 THR N N 113.620 0.2 1 390 85 85 GLU H H 8.170 0.05 1 391 85 85 GLU C C 176.430 0.2 1 392 85 85 GLU CA C 58.840 0.2 1 393 85 85 GLU CB C 28.590 0.2 1 394 85 85 GLU N N 119.980 0.2 1 395 86 86 LYS H H 7.420 0.05 1 396 86 86 LYS C C 177.260 0.2 1 397 86 86 LYS CA C 55.890 0.2 1 398 86 86 LYS CB C 32.560 0.2 1 399 86 86 LYS N N 116.200 0.2 1 400 87 87 HIS H H 7.120 0.05 1 401 87 87 HIS C C 174.490 0.2 1 402 87 87 HIS CA C 55.240 0.2 1 403 87 87 HIS CB C 28.730 0.2 1 404 87 87 HIS N N 116.190 0.2 1 405 88 88 LEU H H 7.840 0.05 1 406 88 88 LEU C C 179.130 0.2 1 407 88 88 LEU CA C 58.220 0.2 1 408 88 88 LEU CB C 42.020 0.2 1 409 88 88 LEU N N 120.230 0.2 1 410 89 89 THR H H 8.290 0.05 1 411 89 89 THR C C 175.610 0.2 1 412 89 89 THR CA C 64.400 0.2 1 413 89 89 THR CB C 68.870 0.2 1 414 89 89 THR N N 109.270 0.2 1 415 90 90 ASP H H 8.770 0.05 1 416 90 90 ASP C C 177.650 0.2 1 417 90 90 ASP CA C 53.950 0.2 1 418 90 90 ASP CB C 40.460 0.2 1 419 90 90 ASP N N 117.120 0.2 1 420 91 91 GLY H H 7.900 0.05 1 421 91 91 GLY C C 171.630 0.2 1 422 91 91 GLY CA C 45.110 0.2 1 423 91 91 GLY N N 110.780 0.2 1 424 92 92 MET H H 8.280 0.05 1 425 92 92 MET C C 175.120 0.2 1 426 92 92 MET CA C 54.940 0.2 1 427 92 92 MET CB C 40.400 0.2 1 428 92 92 MET N N 113.430 0.2 1 429 93 93 THR H H 8.900 0.05 1 430 93 93 THR C C 175.830 0.2 1 431 93 93 THR CA C 60.170 0.2 1 432 93 93 THR CB C 70.980 0.2 1 433 93 93 THR N N 112.210 0.2 1 434 94 94 VAL H H 8.090 0.05 1 435 94 94 VAL C C 177.930 0.2 1 436 94 94 VAL CA C 68.170 0.2 1 437 94 94 VAL CB C 31.760 0.2 1 438 94 94 VAL N N 121.970 0.2 1 439 95 95 ARG H H 9.030 0.05 1 440 95 95 ARG C C 177.590 0.2 1 441 95 95 ARG CA C 60.200 0.2 1 442 95 95 ARG CB C 31.350 0.2 1 443 95 95 ARG N N 118.350 0.2 1 444 96 96 GLU H H 7.620 0.05 1 445 96 96 GLU C C 180.510 0.2 1 446 96 96 GLU CA C 58.440 0.2 1 447 96 96 GLU CB C 30.080 0.2 1 448 96 96 GLU N N 118.310 0.2 1 449 97 97 LEU H H 9.070 0.05 1 450 97 97 LEU C C 179.070 0.2 1 451 97 97 LEU CA C 58.040 0.2 1 452 97 97 LEU CB C 41.130 0.2 1 453 97 97 LEU N N 122.820 0.2 1 454 98 98 CYS H H 8.110 0.05 1 455 98 98 CYS C C 175.960 0.2 1 456 98 98 CYS CA C 62.300 0.2 1 457 98 98 CYS CB C 42.460 0.2 1 458 98 98 CYS N N 118.910 0.2 1 459 99 99 SER H H 7.710 0.05 1 460 99 99 SER C C 178.980 0.2 1 461 99 99 SER CA C 61.400 0.2 1 462 99 99 SER CB C 62.610 0.2 1 463 99 99 SER N N 113.340 0.2 1 464 100 100 ALA H H 8.480 0.05 1 465 100 100 ALA C C 180.210 0.2 1 466 100 100 ALA CA C 55.640 0.2 1 467 100 100 ALA CB C 17.520 0.2 1 468 100 100 ALA N N 124.560 0.2 1 469 101 101 ALA H H 8.630 0.05 1 470 101 101 ALA C C 178.440 0.2 1 471 101 101 ALA CA C 55.120 0.2 1 472 101 101 ALA CB C 17.540 0.2 1 473 101 101 ALA N N 120.810 0.2 1 474 102 102 ILE H H 8.210 0.05 1 475 102 102 ILE C C 176.610 0.2 1 476 102 102 ILE CA C 65.020 0.2 1 477 102 102 ILE CB C 38.180 0.2 1 478 102 102 ILE N N 113.640 0.2 1 479 103 103 THR H H 8.960 0.05 1 480 103 103 THR C C 175.930 0.2 1 481 103 103 THR CA C 65.340 0.2 1 482 103 103 THR N N 109.770 0.2 1 483 104 104 MET H H 6.720 0.05 1 484 104 104 MET C C 176.210 0.2 1 485 104 104 MET CA C 53.090 0.2 1 486 104 104 MET CB C 33.354 0.2 1 487 104 104 MET N N 114.200 0.2 1 488 105 105 SER H H 7.130 0.05 1 489 105 105 SER CA C 59.410 0.2 1 490 105 105 SER N N 114.910 0.2 1 491 107 107 ASN C C 177.950 0.2 1 492 107 107 ASN CA C 56.237 0.2 1 493 107 107 ASN CB C 38.910 0.2 1 494 108 108 THR H H 7.620 0.05 1 495 108 108 THR C C 176.430 0.2 1 496 108 108 THR CA C 67.990 0.2 1 497 108 108 THR CB C 66.990 0.2 1 498 108 108 THR N N 119.880 0.2 1 499 109 109 ALA H H 8.880 0.05 1 500 109 109 ALA C C 178.460 0.2 1 501 109 109 ALA CA C 55.260 0.2 1 502 109 109 ALA CB C 18.750 0.2 1 503 109 109 ALA N N 122.700 0.2 1 504 110 110 ALA H H 7.020 0.05 1 505 110 110 ALA C C 177.930 0.2 1 506 110 110 ALA CA C 54.580 0.2 1 507 110 110 ALA CB C 19.270 0.2 1 508 110 110 ALA N N 115.460 0.2 1 509 111 111 ASN H H 7.830 0.05 1 510 111 111 ASN C C 179.340 0.2 1 511 111 111 ASN CA C 55.830 0.2 1 512 111 111 ASN CB C 36.820 0.2 1 513 111 111 ASN N N 120.290 0.2 1 514 112 112 LEU H H 8.960 0.05 1 515 112 112 LEU C C 180.980 0.2 1 516 112 112 LEU CA C 57.770 0.2 1 517 112 112 LEU CB C 42.110 0.2 1 518 112 112 LEU N N 121.970 0.2 1 519 113 113 LEU H H 8.030 0.05 1 520 113 113 LEU C C 180.680 0.2 1 521 113 113 LEU CA C 57.370 0.2 1 522 113 113 LEU CB C 42.830 0.2 1 523 113 113 LEU N N 119.830 0.2 1 524 114 114 LEU H H 8.990 0.05 1 525 114 114 LEU C C 179.570 0.2 1 526 114 114 LEU CA C 58.390 0.2 1 527 114 114 LEU CB C 42.400 0.2 1 528 114 114 LEU N N 123.370 0.2 1 529 115 115 THR H H 8.130 0.05 1 530 115 115 THR C C 177.570 0.2 1 531 115 115 THR CA C 66.770 0.2 1 532 115 115 THR CB C 68.340 0.2 1 533 115 115 THR N N 116.280 0.2 1 534 116 116 THR H H 7.590 0.05 1 535 116 116 THR C C 175.690 0.2 1 536 116 116 THR CA C 65.460 0.2 1 537 116 116 THR CB C 68.720 0.2 1 538 116 116 THR N N 113.190 0.2 1 539 117 117 ILE H H 6.930 0.05 1 540 117 117 ILE C C 175.190 0.2 1 541 117 117 ILE CA C 61.080 0.2 1 542 117 117 ILE CB C 38.920 0.2 1 543 117 117 ILE N N 112.050 0.2 1 544 118 118 GLY H H 7.440 0.05 1 545 118 118 GLY C C 174.940 0.2 1 546 118 118 GLY CA C 45.180 0.2 1 547 118 118 GLY N N 106.701 0.2 1 548 119 119 GLY H H 8.090 0.05 1 549 119 119 GLY CA C 45.700 0.2 1 550 119 119 GLY N N 108.960 0.2 1 551 120 120 PRO C C 177.950 0.2 1 552 120 120 PRO CA C 66.369 0.2 1 553 120 120 PRO CB C 32.271 0.2 1 554 121 121 LYS H H 8.610 0.05 1 555 121 121 LYS C C 178.960 0.2 1 556 121 121 LYS CA C 59.740 0.2 1 557 121 121 LYS CB C 32.170 0.2 1 558 121 121 LYS N N 118.110 0.2 1 559 122 122 GLU H H 7.350 0.05 1 560 122 122 GLU C C 180.530 0.2 1 561 122 122 GLU CA C 58.530 0.2 1 562 122 122 GLU CB C 29.170 0.2 1 563 122 122 GLU N N 118.300 0.2 1 564 123 123 LEU H H 7.770 0.05 1 565 123 123 LEU C C 177.900 0.2 1 566 123 123 LEU CA C 57.780 0.2 1 567 123 123 LEU CB C 40.540 0.2 1 568 123 123 LEU N N 121.500 0.2 1 569 124 124 THR H H 8.350 0.05 1 570 124 124 THR C C 175.330 0.2 1 571 124 124 THR CA C 68.500 0.2 1 572 124 124 THR N N 117.260 0.2 1 573 125 125 ASP H H 8.400 0.05 1 574 125 125 ASP C C 178.780 0.2 1 575 125 125 ASP CA C 58.180 0.2 1 576 125 125 ASP CB C 40.590 0.2 1 577 125 125 ASP N N 121.160 0.2 1 578 126 126 PHE H H 7.920 0.05 1 579 126 126 PHE C C 176.280 0.2 1 580 126 126 PHE CA C 61.030 0.2 1 581 126 126 PHE CB C 38.070 0.2 1 582 126 126 PHE N N 122.170 0.2 1 583 127 127 LEU H H 7.980 0.05 1 584 127 127 LEU C C 178.820 0.2 1 585 127 127 LEU CA C 57.420 0.2 1 586 127 127 LEU CB C 39.720 0.2 1 587 127 127 LEU N N 118.930 0.2 1 588 128 128 ARG H H 8.460 0.05 1 589 128 128 ARG C C 181.790 0.2 1 590 128 128 ARG CA C 57.430 0.2 1 591 128 128 ARG CB C 28.750 0.2 1 592 128 128 ARG N N 118.210 0.2 1 593 129 129 GLN H H 8.260 0.05 1 594 129 129 GLN C C 178.490 0.2 1 595 129 129 GLN CA C 58.710 0.2 1 596 129 129 GLN CB C 28.190 0.2 1 597 129 129 GLN N N 121.090 0.2 1 598 130 130 ILE H H 7.430 0.05 1 599 130 130 ILE C C 176.480 0.2 1 600 130 130 ILE CA C 61.180 0.2 1 601 130 130 ILE CB C 37.300 0.2 1 602 130 130 ILE N N 110.950 0.2 1 603 131 131 GLY H H 7.580 0.05 1 604 131 131 GLY C C 172.990 0.2 1 605 131 131 GLY CA C 45.750 0.2 1 606 131 131 GLY N N 108.980 0.2 1 607 132 132 ASP H H 8.310 0.05 1 608 132 132 ASP C C 176.300 0.2 1 609 132 132 ASP CA C 52.840 0.2 1 610 132 132 ASP CB C 40.360 0.2 1 611 132 132 ASP N N 122.860 0.2 1 612 133 133 LYS H H 8.630 0.05 1 613 133 133 LYS C C 176.380 0.2 1 614 133 133 LYS CA C 56.300 0.2 1 615 133 133 LYS CB C 32.987 0.2 1 616 133 133 LYS N N 123.380 0.2 1 617 134 134 GLU H H 8.460 0.05 1 618 134 134 GLU C C 177.570 0.2 1 619 134 134 GLU CA C 57.600 0.2 1 620 134 134 GLU CB C 33.160 0.2 1 621 134 134 GLU N N 117.540 0.2 1 622 135 135 THR H H 9.820 0.05 1 623 135 135 THR C C 174.400 0.2 1 624 135 135 THR CA C 65.330 0.2 1 625 135 135 THR CB C 66.770 0.2 1 626 135 135 THR N N 124.460 0.2 1 627 136 136 ARG H H 8.870 0.05 1 628 136 136 ARG C C 171.070 0.2 1 629 136 136 ARG CA C 54.650 0.2 1 630 136 136 ARG CB C 33.650 0.2 1 631 136 136 ARG N N 121.820 0.2 1 632 137 137 LEU H H 7.790 0.05 1 633 137 137 LEU C C 174.070 0.2 1 634 137 137 LEU CA C 53.480 0.2 1 635 137 137 LEU CB C 45.860 0.2 1 636 137 137 LEU N N 121.670 0.2 1 637 138 138 ASP H H 10.090 0.05 1 638 138 138 ASP C C 175.470 0.2 1 639 138 138 ASP CA C 55.520 0.2 1 640 138 138 ASP CB C 45.690 0.2 1 641 138 138 ASP N N 127.180 0.2 1 642 139 139 ARG H H 9.440 0.05 1 643 139 139 ARG C C 171.900 0.2 1 644 139 139 ARG CA C 54.900 0.2 1 645 139 139 ARG CB C 34.970 0.2 1 646 139 139 ARG N N 125.570 0.2 1 647 140 140 ILE H H 7.080 0.05 1 648 140 140 ILE C C 177.680 0.2 1 649 140 140 ILE CA C 59.440 0.2 1 650 140 140 ILE CB C 37.920 0.2 1 651 140 140 ILE N N 105.391 0.2 1 652 141 141 GLU H H 9.273 0.05 1 653 141 141 GLU CA C 55.050 0.2 1 654 141 141 GLU N N 116.456 0.2 1 655 142 142 PRO C C 176.986 0.2 1 656 142 142 PRO CA C 63.826 0.2 1 657 142 142 PRO CB C 33.893 0.2 1 658 143 143 ASP H H 8.210 0.05 1 659 143 143 ASP C C 176.080 0.2 1 660 143 143 ASP CA C 57.360 0.2 1 661 143 143 ASP CB C 40.996 0.2 1 662 143 143 ASP N N 127.714 0.2 1 663 144 144 LEU H H 7.360 0.05 1 664 144 144 LEU C C 176.840 0.2 1 665 144 144 LEU CA C 57.110 0.2 1 666 144 144 LEU CB C 40.830 0.2 1 667 144 144 LEU N N 112.620 0.2 1 668 145 145 ASN H H 7.690 0.05 1 669 145 145 ASN C C 174.890 0.2 1 670 145 145 ASN CA C 53.830 0.2 1 671 145 145 ASN CB C 40.350 0.2 1 672 145 145 ASN N N 119.760 0.2 1 673 146 146 GLU H H 7.380 0.05 1 674 146 146 GLU C C 176.940 0.2 1 675 146 146 GLU CA C 60.460 0.2 1 676 146 146 GLU CB C 30.660 0.2 1 677 146 146 GLU N N 121.580 0.2 1 678 147 147 GLY H H 9.510 0.05 1 679 147 147 GLY CA C 46.988 0.2 1 680 147 147 GLY N N 105.773 0.2 1 681 148 148 LYS C C 177.820 0.2 1 682 148 148 LYS CA C 58.001 0.2 1 683 148 148 LYS CB C 32.144 0.2 1 684 149 149 LEU H H 8.465 0.05 1 685 149 149 LEU C C 178.770 0.2 1 686 149 149 LEU CA C 56.884 0.2 1 687 149 149 LEU CB C 41.642 0.2 1 688 149 149 LEU N N 127.277 0.2 1 689 150 150 GLY H H 9.050 0.05 1 690 150 150 GLY C C 173.010 0.2 1 691 150 150 GLY CA C 45.340 0.2 1 692 150 150 GLY N N 114.880 0.2 1 693 151 151 ASP H H 7.380 0.05 1 694 151 151 ASP C C 177.000 0.2 1 695 151 151 ASP CA C 53.160 0.2 1 696 151 151 ASP CB C 42.280 0.2 1 697 151 151 ASP N N 121.010 0.2 1 698 152 152 LEU H H 8.600 0.05 1 699 152 152 LEU C C 178.580 0.2 1 700 152 152 LEU CA C 55.300 0.2 1 701 152 152 LEU CB C 42.800 0.2 1 702 152 152 LEU N N 126.980 0.2 1 703 153 153 ARG H H 8.030 0.05 1 704 153 153 ARG C C 177.160 0.2 1 705 153 153 ARG CA C 57.160 0.2 1 706 153 153 ARG CB C 30.660 0.2 1 707 153 153 ARG N N 120.780 0.2 1 708 154 154 ASP H H 8.870 0.05 1 709 154 154 ASP C C 177.760 0.2 1 710 154 154 ASP CA C 55.690 0.2 1 711 154 154 ASP CB C 42.470 0.2 1 712 154 154 ASP N N 115.590 0.2 1 713 155 155 THR H H 7.240 0.05 1 714 155 155 THR C C 173.290 0.2 1 715 155 155 THR CA C 59.530 0.2 1 716 155 155 THR CB C 75.080 0.2 1 717 155 155 THR N N 104.891 0.2 1 718 156 156 THR H H 8.310 0.05 1 719 156 156 THR C C 173.390 0.2 1 720 156 156 THR CA C 59.990 0.2 1 721 156 156 THR CB C 68.430 0.2 1 722 156 156 THR N N 113.490 0.2 1 723 157 157 THR H H 8.760 0.05 1 724 157 157 THR CA C 57.620 0.2 1 725 157 157 THR CB C 69.090 0.2 1 726 157 157 THR N N 111.310 0.2 1 727 158 158 PRO C C 176.870 0.2 1 728 158 158 PRO CA C 66.446 0.2 1 729 158 158 PRO CB C 32.271 0.2 1 730 159 159 LYS H H 8.430 0.05 1 731 159 159 LYS C C 178.210 0.2 1 732 159 159 LYS CA C 60.170 0.2 1 733 159 159 LYS CB C 33.600 0.2 1 734 159 159 LYS N N 112.780 0.2 1 735 160 160 ALA H H 8.570 0.05 1 736 160 160 ALA C C 180.050 0.2 1 737 160 160 ALA CA C 55.640 0.2 1 738 160 160 ALA CB C 18.790 0.2 1 739 160 160 ALA N N 124.370 0.2 1 740 161 161 ILE H H 8.260 0.05 1 741 161 161 ILE C C 177.340 0.2 1 742 161 161 ILE CA C 65.990 0.2 1 743 161 161 ILE CB C 36.540 0.2 1 744 161 161 ILE N N 116.390 0.2 1 745 162 162 ALA H H 8.070 0.05 1 746 162 162 ALA C C 178.930 0.2 1 747 162 162 ALA CA C 55.810 0.2 1 748 162 162 ALA CB C 19.470 0.2 1 749 162 162 ALA N N 124.220 0.2 1 750 163 163 SER H H 7.790 0.05 1 751 163 163 SER C C 177.490 0.2 1 752 163 163 SER CA C 61.880 0.2 1 753 163 163 SER CB C 62.750 0.2 1 754 163 163 SER N N 112.500 0.2 1 755 164 164 THR H H 8.900 0.05 1 756 164 164 THR C C 175.500 0.2 1 757 164 164 THR CA C 66.840 0.2 1 758 164 164 THR CB C 67.450 0.2 1 759 164 164 THR N N 123.120 0.2 1 760 165 165 LEU H H 9.040 0.05 1 761 165 165 LEU C C 178.030 0.2 1 762 165 165 LEU CA C 58.260 0.2 1 763 165 165 LEU CB C 41.410 0.2 1 764 165 165 LEU N N 122.270 0.2 1 765 166 166 ARG H H 8.130 0.05 1 766 166 166 ARG C C 178.420 0.2 1 767 166 166 ARG CA C 60.880 0.2 1 768 166 166 ARG CB C 28.900 0.2 1 769 166 166 ARG N N 117.990 0.2 1 770 167 167 LYS H H 7.900 0.05 1 771 167 167 LYS C C 178.340 0.2 1 772 167 167 LYS CA C 59.920 0.2 1 773 167 167 LYS CB C 32.670 0.2 1 774 167 167 LYS N N 120.370 0.2 1 775 168 168 LEU H H 8.000 0.05 1 776 168 168 LEU C C 177.500 0.2 1 777 168 168 LEU CA C 57.760 0.2 1 778 168 168 LEU CB C 42.400 0.2 1 779 168 168 LEU N N 116.590 0.2 1 780 169 169 LEU H H 7.940 0.05 1 781 169 169 LEU C C 178.120 0.2 1 782 169 169 LEU CA C 56.430 0.2 1 783 169 169 LEU CB C 43.380 0.2 1 784 169 169 LEU N N 112.160 0.2 1 785 170 170 THR H H 7.930 0.05 1 786 170 170 THR C C 174.760 0.2 1 787 170 170 THR CA C 60.980 0.2 1 788 170 170 THR CB C 72.150 0.2 1 789 170 170 THR N N 106.411 0.2 1 790 171 171 GLY H H 8.040 0.05 1 791 171 171 GLY C C 174.170 0.2 1 792 171 171 GLY CA C 45.320 0.2 1 793 171 171 GLY N N 109.750 0.2 1 794 172 172 GLU H H 8.390 0.05 1 795 172 172 GLU C C 176.390 0.2 1 796 172 172 GLU CA C 56.110 0.2 1 797 172 172 GLU CB C 29.630 0.2 1 798 172 172 GLU N N 117.630 0.2 1 799 173 173 LEU H H 7.420 0.05 1 800 173 173 LEU C C 177.050 0.2 1 801 173 173 LEU CA C 57.800 0.2 1 802 173 173 LEU CB C 43.120 0.2 1 803 173 173 LEU N N 121.120 0.2 1 804 174 174 LEU H H 8.620 0.05 1 805 174 174 LEU C C 177.510 0.2 1 806 174 174 LEU CA C 52.610 0.2 1 807 174 174 LEU CB C 44.550 0.2 1 808 174 174 LEU N N 117.980 0.2 1 809 175 175 THR H H 9.030 0.05 1 810 175 175 THR C C 175.310 0.2 1 811 175 175 THR CA C 62.090 0.2 1 812 175 175 THR CB C 71.700 0.2 1 813 175 175 THR N N 112.640 0.2 1 814 176 176 LEU H H 8.660 0.05 1 815 176 176 LEU C C 179.110 0.2 1 816 176 176 LEU CA C 58.910 0.2 1 817 176 176 LEU CB C 41.550 0.2 1 818 176 176 LEU N N 122.800 0.2 1 819 177 177 ALA H H 8.440 0.05 1 820 177 177 ALA C C 181.470 0.2 1 821 177 177 ALA CA C 54.980 0.2 1 822 177 177 ALA CB C 18.190 0.2 1 823 177 177 ALA N N 118.630 0.2 1 824 178 178 SER H H 7.720 0.05 1 825 178 178 SER C C 175.000 0.2 1 826 178 178 SER CA C 62.870 0.2 1 827 178 178 SER CB C 64.300 0.2 1 828 178 178 SER N N 118.420 0.2 1 829 179 179 ARG H H 9.090 0.05 1 830 179 179 ARG C C 178.400 0.2 1 831 179 179 ARG CA C 60.200 0.2 1 832 179 179 ARG CB C 30.940 0.2 1 833 179 179 ARG N N 123.520 0.2 1 834 180 180 GLN H H 8.190 0.05 1 835 180 180 GLN C C 177.070 0.2 1 836 180 180 GLN CA C 57.580 0.2 1 837 180 180 GLN CB C 28.390 0.2 1 838 180 180 GLN N N 117.660 0.2 1 839 181 181 GLN H H 7.560 0.05 1 840 181 181 GLN C C 177.870 0.2 1 841 181 181 GLN CA C 56.990 0.2 1 842 181 181 GLN CB C 28.610 0.2 1 843 181 181 GLN N N 118.010 0.2 1 844 182 182 LEU H H 7.930 0.05 1 845 182 182 LEU C C 178.260 0.2 1 846 182 182 LEU CA C 58.240 0.2 1 847 182 182 LEU CB C 41.560 0.2 1 848 182 182 LEU N N 120.940 0.2 1 849 183 183 ILE H H 7.800 0.05 1 850 183 183 ILE C C 177.180 0.2 1 851 183 183 ILE CA C 65.650 0.2 1 852 183 183 ILE CB C 38.330 0.2 1 853 183 183 ILE N N 118.130 0.2 1 854 184 184 ASP H H 8.670 0.05 1 855 184 184 ASP C C 181.370 0.2 1 856 184 184 ASP CA C 57.580 0.2 1 857 184 184 ASP CB C 39.980 0.2 1 858 184 184 ASP N N 122.260 0.2 1 859 185 185 TRP H H 8.010 0.05 1 860 185 185 TRP C C 177.110 0.2 1 861 185 185 TRP CA C 59.630 0.2 1 862 185 185 TRP CB C 28.880 0.2 1 863 185 185 TRP N N 120.290 0.2 1 864 186 186 MET H H 7.750 0.05 1 865 186 186 MET C C 180.150 0.2 1 866 186 186 MET CA C 59.590 0.2 1 867 186 186 MET CB C 35.690 0.2 1 868 186 186 MET N N 115.840 0.2 1 869 187 187 GLU H H 9.650 0.05 1 870 187 187 GLU C C 178.150 0.2 1 871 187 187 GLU CA C 59.710 0.2 1 872 187 187 GLU CB C 31.790 0.2 1 873 187 187 GLU N N 124.690 0.2 1 874 188 188 ALA H H 7.310 0.05 1 875 188 188 ALA CA C 51.760 0.2 1 876 188 188 ALA CB C 19.145 0.2 1 877 188 188 ALA N N 119.520 0.2 1 878 190 190 LYS H H 9.522 0.05 1 879 190 190 LYS CA C 56.982 0.2 1 880 190 190 LYS N N 127.500 0.2 1 881 196 196 LEU C C 177.730 0.2 1 882 197 197 ARG H H 8.610 0.05 1 883 197 197 ARG C C 177.430 0.2 1 884 197 197 ARG CA C 59.810 0.2 1 885 197 197 ARG CB C 29.255 0.2 1 886 197 197 ARG N N 118.220 0.2 1 887 198 198 SER H H 7.010 0.05 1 888 198 198 SER C C 174.010 0.2 1 889 198 198 SER CA C 60.980 0.2 1 890 198 198 SER CB C 63.350 0.2 1 891 198 198 SER N N 113.340 0.2 1 892 199 199 ALA H H 7.260 0.05 1 893 199 199 ALA C C 176.270 0.2 1 894 199 199 ALA CA C 50.660 0.2 1 895 199 199 ALA CB C 19.640 0.2 1 896 199 199 ALA N N 122.880 0.2 1 897 200 200 LEU H H 6.690 0.05 1 898 200 200 LEU CA C 53.020 0.2 1 899 200 200 LEU CB C 43.970 0.2 1 900 200 200 LEU N N 120.900 0.2 1 901 201 201 PRO C C 175.800 0.2 1 902 201 201 PRO CA C 61.477 0.2 1 903 201 201 PRO CB C 31.965 0.2 1 904 202 202 ALA H H 8.220 0.05 1 905 202 202 ALA C C 179.410 0.2 1 906 202 202 ALA CA C 53.450 0.2 1 907 202 202 ALA CB C 18.300 0.2 1 908 202 202 ALA N N 122.780 0.2 1 909 203 203 GLY H H 8.800 0.05 1 910 203 203 GLY C C 175.330 0.2 1 911 203 203 GLY CA C 45.410 0.2 1 912 203 203 GLY N N 110.190 0.2 1 913 204 204 TRP H H 7.620 0.05 1 914 204 204 TRP C C 175.320 0.2 1 915 204 204 TRP CA C 59.060 0.2 1 916 204 204 TRP CB C 28.900 0.2 1 917 204 204 TRP N N 120.580 0.2 1 918 205 205 PHE H H 9.370 0.05 1 919 205 205 PHE C C 174.700 0.2 1 920 205 205 PHE CA C 56.850 0.2 1 921 205 205 PHE CB C 42.260 0.2 1 922 205 205 PHE N N 122.970 0.2 1 923 206 206 ILE H H 7.500 0.05 1 924 206 206 ILE C C 169.523 0.2 1 925 206 206 ILE CA C 60.460 0.2 1 926 206 206 ILE CB C 40.190 0.2 1 927 206 206 ILE N N 123.470 0.2 1 928 207 207 ALA H H 8.460 0.05 1 929 207 207 ALA C C 174.890 0.2 1 930 207 207 ALA CA C 50.640 0.2 1 931 207 207 ALA CB C 21.570 0.2 1 932 207 207 ALA N N 127.980 0.2 1 933 208 208 ASP H H 8.230 0.05 1 934 208 208 ASP CA C 53.000 0.2 1 935 208 208 ASP CB C 45.230 0.2 1 936 208 208 ASP N N 123.840 0.2 1 937 218 218 ARG C C 174.278 0.2 1 938 218 218 ARG CA C 53.652 0.2 1 939 219 219 GLY H H 8.421 0.05 1 940 219 219 GLY C C 170.483 0.2 1 941 219 219 GLY CA C 46.965 0.2 1 942 219 219 GLY N N 111.554 0.2 1 943 220 220 ILE H H 9.040 0.05 1 944 220 220 ILE C C 170.543 0.2 1 945 220 220 ILE CA C 59.680 0.2 1 946 220 220 ILE N N 116.970 0.2 1 947 221 221 ILE H H 8.120 0.05 1 948 221 221 ILE C C 174.350 0.2 1 949 221 221 ILE CA C 58.850 0.2 1 950 221 221 ILE N N 118.430 0.2 1 951 222 222 ALA H H 8.970 0.05 1 952 222 222 ALA C C 174.580 0.2 1 953 222 222 ALA CA C 51.310 0.2 1 954 222 222 ALA CB C 24.720 0.2 1 955 222 222 ALA N N 123.750 0.2 1 956 223 223 ALA H H 9.350 0.05 1 957 223 223 ALA C C 175.580 0.2 1 958 223 223 ALA CA C 50.340 0.2 1 959 223 223 ALA CB C 20.650 0.2 1 960 223 223 ALA N N 122.780 0.2 1 961 224 224 LEU H H 9.300 0.05 1 962 224 224 LEU C C 176.730 0.2 1 963 224 224 LEU CA C 55.110 0.2 1 964 224 224 LEU CB C 46.620 0.2 1 965 224 224 LEU N N 121.120 0.2 1 966 225 225 GLY H H 8.790 0.05 1 967 225 225 GLY CA C 46.860 0.2 1 968 225 225 GLY N N 110.460 0.2 1 969 226 226 PRO C C 176.010 0.2 1 970 226 226 PRO CA C 60.767 0.2 1 971 226 226 PRO CB C 31.685 0.2 1 972 227 227 ASP H H 7.920 0.05 1 973 227 227 ASP C C 177.130 0.2 1 974 227 227 ASP CA C 54.950 0.2 1 975 227 227 ASP CB C 39.330 0.2 1 976 227 227 ASP N N 114.290 0.2 1 977 228 228 GLY H H 7.720 0.05 1 978 228 228 GLY C C 173.400 0.2 1 979 228 228 GLY CA C 46.860 0.2 1 980 228 228 GLY N N 100.251 0.2 1 981 229 229 LYS H H 7.170 0.05 1 982 229 229 LYS CA C 52.300 0.2 1 983 229 229 LYS CB C 34.630 0.2 1 984 229 229 LYS N N 119.340 0.2 1 985 230 230 PRO C C 176.060 0.2 1 986 230 230 PRO CA C 62.098 0.2 1 987 231 231 SER H H 8.520 0.05 1 988 231 231 SER C C 174.520 0.2 1 989 231 231 SER CA C 58.990 0.2 1 990 231 231 SER CB C 65.750 0.2 1 991 231 231 SER N N 112.310 0.2 1 992 232 232 ARG H H 8.820 0.05 1 993 232 232 ARG C C 174.500 0.2 1 994 232 232 ARG CA C 55.840 0.2 1 995 232 232 ARG CB C 36.250 0.2 1 996 232 232 ARG N N 123.250 0.2 1 997 233 233 ILE H H 9.190 0.05 1 998 233 233 ILE C C 174.580 0.2 1 999 233 233 ILE CA C 58.780 0.2 1 1000 233 233 ILE CB C 40.480 0.2 1 1001 233 233 ILE N N 122.670 0.2 1 1002 234 234 VAL H H 9.190 0.05 1 1003 234 234 VAL C C 173.340 0.2 1 1004 234 234 VAL CA C 59.630 0.2 1 1005 234 234 VAL CB C 36.280 0.2 1 1006 234 234 VAL N N 126.310 0.2 1 1007 235 235 VAL H H 8.190 0.05 1 1008 235 235 VAL C C 174.020 0.2 1 1009 235 235 VAL CA C 60.380 0.2 1 1010 235 235 VAL CB C 35.810 0.2 1 1011 235 235 VAL N N 125.320 0.2 1 1012 236 236 ILE H H 8.240 0.05 1 1013 236 236 ILE C C 174.520 0.2 1 1014 236 236 ILE CA C 60.140 0.2 1 1015 236 236 ILE CB C 41.935 0.2 1 1016 236 236 ILE N N 122.560 0.2 1 1017 237 237 TYR H H 8.790 0.05 1 1018 237 237 TYR C C 174.420 0.2 1 1019 237 237 TYR CA C 56.920 0.2 1 1020 237 237 TYR CB C 44.971 0.2 1 1021 237 237 TYR N N 122.620 0.2 1 1022 238 238 THR H H 8.930 0.05 1 1023 238 238 THR CA C 59.540 0.2 1 1024 238 238 THR CB C 70.821 0.2 1 1025 238 238 THR N N 110.750 0.2 1 1026 240 240 GLY C C 174.480 0.2 1 1027 240 240 GLY CA C 45.638 0.2 1 1028 241 241 SER H H 8.360 0.05 1 1029 241 241 SER C C 175.820 0.2 1 1030 241 241 SER CA C 58.940 0.2 1 1031 241 241 SER CB C 65.645 0.2 1 1032 241 241 SER N N 114.500 0.2 1 1033 242 242 GLN H H 8.830 0.05 1 1034 242 242 GLN C C 175.910 0.2 1 1035 242 242 GLN CA C 55.740 0.2 1 1036 242 242 GLN CB C 29.055 0.2 1 1037 242 242 GLN N N 123.360 0.2 1 1038 243 243 ALA H H 8.650 0.05 1 1039 243 243 ALA C C 178.690 0.2 1 1040 243 243 ALA CA C 52.280 0.2 1 1041 243 243 ALA CB C 20.590 0.2 1 1042 243 243 ALA N N 123.320 0.2 1 1043 244 244 THR H H 8.650 0.05 1 1044 244 244 THR CA C 61.680 0.2 1 1045 244 244 THR CB C 70.950 0.2 1 1046 244 244 THR N N 112.880 0.2 1 1047 245 245 MET C C 177.800 0.2 1 1048 245 245 MET CA C 58.037 0.2 1 1049 245 245 MET CB C 30.914 0.2 1 1050 246 246 ASP H H 8.410 0.05 1 1051 246 246 ASP C C 178.690 0.2 1 1052 246 246 ASP CA C 57.770 0.2 1 1053 246 246 ASP CB C 40.660 0.2 1 1054 246 246 ASP N N 116.720 0.2 1 1055 247 247 GLU H H 7.640 0.05 1 1056 247 247 GLU C C 179.280 0.2 1 1057 247 247 GLU CA C 58.940 0.2 1 1058 247 247 GLU CB C 30.090 0.2 1 1059 247 247 GLU N N 120.300 0.2 1 1060 248 248 ARG H H 8.090 0.05 1 1061 248 248 ARG C C 177.520 0.2 1 1062 248 248 ARG CA C 60.760 0.2 1 1063 248 248 ARG CB C 31.175 0.2 1 1064 248 248 ARG N N 118.730 0.2 1 1065 249 249 ASN H H 8.770 0.05 1 1066 249 249 ASN C C 176.530 0.2 1 1067 249 249 ASN CA C 55.310 0.2 1 1068 249 249 ASN CB C 37.256 0.2 1 1069 249 249 ASN N N 116.980 0.2 1 1070 250 250 ARG H H 8.000 0.05 1 1071 250 250 ARG C C 178.830 0.2 1 1072 250 250 ARG CA C 59.320 0.2 1 1073 250 250 ARG CB C 30.120 0.2 1 1074 250 250 ARG N N 118.740 0.2 1 1075 251 251 GLN H H 7.790 0.05 1 1076 251 251 GLN C C 178.480 0.2 1 1077 251 251 GLN CA C 58.330 0.2 1 1078 251 251 GLN CB C 27.750 0.2 1 1079 251 251 GLN N N 114.970 0.2 1 1080 252 252 ILE H H 7.430 0.05 1 1081 252 252 ILE C C 175.690 0.2 1 1082 252 252 ILE CA C 66.010 0.2 1 1083 252 252 ILE N N 117.580 0.2 1 1084 253 253 ALA H H 8.060 0.05 1 1085 253 253 ALA C C 180.420 0.2 1 1086 253 253 ALA CA C 55.960 0.2 1 1087 253 253 ALA CB C 17.722 0.2 1 1088 253 253 ALA N N 124.090 0.2 1 1089 254 254 GLU H H 8.420 0.05 1 1090 254 254 GLU C C 180.680 0.2 1 1091 254 254 GLU CA C 59.660 0.2 1 1092 254 254 GLU CB C 29.810 0.2 1 1093 254 254 GLU N N 118.330 0.2 1 1094 255 255 ILE H H 8.030 0.05 1 1095 255 255 ILE C C 178.010 0.2 1 1096 255 255 ILE CA C 66.590 0.2 1 1097 255 255 ILE CB C 38.070 0.2 1 1098 255 255 ILE N N 123.340 0.2 1 1099 256 256 GLY H H 8.350 0.05 1 1100 256 256 GLY C C 173.960 0.2 1 1101 256 256 GLY CA C 47.640 0.2 1 1102 256 256 GLY N N 106.041 0.2 1 1103 257 257 ALA H H 8.610 0.05 1 1104 257 257 ALA C C 180.190 0.2 1 1105 257 257 ALA CA C 55.210 0.2 1 1106 257 257 ALA CB C 17.820 0.2 1 1107 257 257 ALA N N 122.220 0.2 1 1108 258 258 SER H H 7.490 0.05 1 1109 258 258 SER C C 176.260 0.2 1 1110 258 258 SER CA C 61.840 0.2 1 1111 258 258 SER CB C 62.940 0.2 1 1112 258 258 SER N N 113.430 0.2 1 1113 259 259 LEU H H 8.180 0.05 1 1114 259 259 LEU C C 178.840 0.2 1 1115 259 259 LEU CA C 58.110 0.2 1 1116 259 259 LEU CB C 40.920 0.2 1 1117 259 259 LEU N N 122.940 0.2 1 1118 260 260 ILE H H 7.930 0.05 1 1119 260 260 ILE C C 178.500 0.2 1 1120 260 260 ILE CA C 63.870 0.2 1 1121 260 260 ILE CB C 37.670 0.2 1 1122 260 260 ILE N N 118.150 0.2 1 1123 261 261 LYS H H 8.100 0.05 1 1124 261 261 LYS C C 177.920 0.2 1 1125 261 261 LYS CA C 59.010 0.2 1 1126 261 261 LYS CB C 32.540 0.2 1 1127 261 261 LYS N N 120.870 0.2 1 1128 262 262 HIS H H 7.600 0.05 1 1129 262 262 HIS C C 173.650 0.2 1 1130 262 262 HIS CA C 54.840 0.2 1 1131 262 262 HIS CB C 28.010 0.2 1 1132 262 262 HIS N N 114.300 0.2 1 1133 263 263 TRP H H 7.230 0.05 1 1134 263 263 TRP CA C 62.380 0.2 1 1135 263 263 TRP CB C 30.450 0.2 1 1136 263 263 TRP N N 128.690 0.2 1 stop_ save_