data_6832 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Comparative NMR study on the impact of point mutations on protein stability of Pseudomonas mendocina lipase ; _BMRB_accession_number 6832 _BMRB_flat_file_name bmr6832.str _Entry_type original _Submission_date 2005-09-21 _Accession_date 2005-09-21 _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 Favier Adrien . . 2 Sibille Nathalie . . 3 'van Nuland' Nico A.J. . 4 Boelens Rolf . . 5 Ganshaw Grant . . 6 Bott Rick . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 237 "13C chemical shifts" 671 "15N chemical shifts" 237 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-11-14 update BMRB 'complete entry citation' 2006-08-07 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Comparative NMR study on the impact of point mutations on protein stability of Pseudomonas mendocina lipase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16823035 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sibille Nathalie . . 2 Favier Adrien . . 3 Azuaga Ana I. . 4 Ganshaw Grant . . 5 Bott Rick . . 6 Bonvin Alexandre M.J.J. . 7 Boelens Rolf . . 8 'van Nuland' Nico A.J. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 15 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1915 _Page_last 1927 _Year 2006 _Details . loop_ _Keyword 'backbone assignment' 'H/D exchange' 'Industrial enzymes' NMR 'reduced spectral density mapping' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'lipase PG' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'lipase PG' $PG e600 $entity_EPP stop_ _System_molecular_weight 28000 _System_physical_state native _System_oligomer_state 'protein-inhibitor complex' _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'hydrolyze a range of complex ester-linked triglycerides' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PG _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Pseudomonas mendocina lipase enzyme' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 258 _Mol_residue_sequence ; APLPDTPGAPFPAVANFDRS GPYTVSSQSEGPSCRIYRPR DLGQGGVRHPVILWGNGTGA GPSTYAGLLSHWASHGFVVA AAETSNAGTGREMLACLDYL VRENDTPYGTYSGKLNTGRV GTSGHSQGGGGSIMAGQDTR VRTTAPIQPYTLGLGHDSAS QRRQQGPMFLMSGGGDTIAP PYLNAQPVYRRANVPVFWGE RRYVGHFEPVGSGGAYRGPS TAWFRFQLMDDQDARATFYG AQCSLCTSLLWSVERRGL ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 PRO 3 LEU 4 PRO 5 ASP 6 THR 7 PRO 8 GLY 9 ALA 10 PRO 11 PHE 12 PRO 13 ALA 14 VAL 15 ALA 16 ASN 17 PHE 18 ASP 19 ARG 20 SER 21 GLY 22 PRO 23 TYR 24 THR 25 VAL 26 SER 27 SER 28 GLN 29 SER 30 GLU 31 GLY 32 PRO 33 SER 34 CYS 35 ARG 36 ILE 37 TYR 38 ARG 39 PRO 40 ARG 41 ASP 42 LEU 43 GLY 44 GLN 45 GLY 46 GLY 47 VAL 48 ARG 49 HIS 50 PRO 51 VAL 52 ILE 53 LEU 54 TRP 55 GLY 56 ASN 57 GLY 58 THR 59 GLY 60 ALA 61 GLY 62 PRO 63 SER 64 THR 65 TYR 66 ALA 67 GLY 68 LEU 69 LEU 70 SER 71 HIS 72 TRP 73 ALA 74 SER 75 HIS 76 GLY 77 PHE 78 VAL 79 VAL 80 ALA 81 ALA 82 ALA 83 GLU 84 THR 85 SER 86 ASN 87 ALA 88 GLY 89 THR 90 GLY 91 ARG 92 GLU 93 MET 94 LEU 95 ALA 96 CYS 97 LEU 98 ASP 99 TYR 100 LEU 101 VAL 102 ARG 103 GLU 104 ASN 105 ASP 106 THR 107 PRO 108 TYR 109 GLY 110 THR 111 TYR 112 SER 113 GLY 114 LYS 115 LEU 116 ASN 117 THR 118 GLY 119 ARG 120 VAL 121 GLY 122 THR 123 SER 124 GLY 125 HIS 126 SER 127 GLN 128 GLY 129 GLY 130 GLY 131 GLY 132 SER 133 ILE 134 MET 135 ALA 136 GLY 137 GLN 138 ASP 139 THR 140 ARG 141 VAL 142 ARG 143 THR 144 THR 145 ALA 146 PRO 147 ILE 148 GLN 149 PRO 150 TYR 151 THR 152 LEU 153 GLY 154 LEU 155 GLY 156 HIS 157 ASP 158 SER 159 ALA 160 SER 161 GLN 162 ARG 163 ARG 164 GLN 165 GLN 166 GLY 167 PRO 168 MET 169 PHE 170 LEU 171 MET 172 SER 173 GLY 174 GLY 175 GLY 176 ASP 177 THR 178 ILE 179 ALA 180 PRO 181 PRO 182 TYR 183 LEU 184 ASN 185 ALA 186 GLN 187 PRO 188 VAL 189 TYR 190 ARG 191 ARG 192 ALA 193 ASN 194 VAL 195 PRO 196 VAL 197 PHE 198 TRP 199 GLY 200 GLU 201 ARG 202 ARG 203 TYR 204 VAL 205 GLY 206 HIS 207 PHE 208 GLU 209 PRO 210 VAL 211 GLY 212 SER 213 GLY 214 GLY 215 ALA 216 TYR 217 ARG 218 GLY 219 PRO 220 SER 221 THR 222 ALA 223 TRP 224 PHE 225 ARG 226 PHE 227 GLN 228 LEU 229 MET 230 ASP 231 ASP 232 GLN 233 ASP 234 ALA 235 ARG 236 ALA 237 THR 238 PHE 239 TYR 240 GLY 241 ALA 242 GLN 243 CYS 244 SER 245 LEU 246 CYS 247 THR 248 SER 249 LEU 250 LEU 251 TRP 252 SER 253 VAL 254 GLU 255 ARG 256 ARG 257 GLY 258 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 BMRB 6935 WT 100.00 258 99.22 99.22 0.00e+00 PDB 2FX5 "Pseudomonas Mendocina Lipase" 100.00 258 99.22 99.22 0.00e+00 stop_ save_ ############# # Ligands # ############# save_EPP _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'DIETHYL P-NITROPHENYL PHOSPHATE' _BMRB_code EPP _PDB_code EPP _Molecular_mass 275.195 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P P P . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? O3 O3 O . 0 . ? O4 O4 O . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N4 N4 N . 1 . ? O5 O5 O . -1 . ? O6 O6 O . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H123 H123 H . 0 . ? H211 H211 H . 0 . ? H212 H212 H . 0 . ? H221 H221 H . 0 . ? H222 H222 H . 0 . ? H223 H223 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING P O1 ? ? SING P O2 ? ? SING P O3 ? ? DOUB P O4 ? ? SING O1 C11 ? ? SING O2 C21 ? ? SING O3 C1 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C12 H123 ? ? SING C21 C22 ? ? SING C21 H211 ? ? SING C21 H212 ? ? SING C22 H221 ? ? SING C22 H222 ? ? SING C22 H223 ? ? DOUB C1 C2 ? ? SING C1 C6 ? ? SING C2 C3 ? ? SING C2 H2 ? ? DOUB C3 C4 ? ? SING C3 H3 ? ? SING C4 C5 ? ? SING C4 N4 ? ? DOUB C5 C6 ? ? SING C5 H5 ? ? SING C6 H6 ? ? SING N4 O5 ? ? DOUB N4 O6 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PG 'Pseudomonas mendocina' 300 Eubacteria . Pseudomonas mendocina 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 $PG 'recombinant technology' . . . . . 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 $PG 0.8 mM '[U-95% 13C; U-90% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PG 0.4 mM '[U-90% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model 'advance ULTRA SHIELDED' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_1H-15N_heteronuclear_NOE_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N heteronuclear NOE' _Sample_label . save_ save_15N_T1_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _Sample_label . save_ save_15N_T1_rho_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1 rho' _Sample_label . save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_1H-15N_heteronuclear_NOE _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N heteronuclear NOE' _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_T1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_T1_rho _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1 rho' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.8 0.1 pH temperature 313 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $citation_1 $citation_1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $citation_1 $citation_1 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label 1H15N_HSQC HNCA HNCACB HNCO stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'lipase PG' _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 176.63 0.02 1 2 2 2 PRO CA C 62.59 0.02 1 3 2 2 PRO CB C 31.91 0.02 1 4 3 3 LEU H H 8.52 0.015 1 5 3 3 LEU CA C 53.00 0.02 1 6 3 3 LEU CB C 38.40 0.02 1 7 3 3 LEU N N 121.55 0.02 1 8 4 4 PRO C C 178.65 0.02 1 9 4 4 PRO CA C 62.76 0.02 1 10 4 4 PRO CB C 31.96 0.02 1 11 5 5 ASP H H 8.37 0.015 1 12 5 5 ASP C C 176.77 0.02 1 13 5 5 ASP CA C 53.82 0.02 1 14 5 5 ASP CB C 41.30 0.02 1 15 5 5 ASP N N 123.11 0.02 1 16 6 6 THR H H 8.25 0.015 1 17 6 6 THR CA C 54.79 0.02 1 18 6 6 THR CB C 70.08 0.02 1 19 6 6 THR N N 117.30 0.02 1 20 7 7 PRO C C 178.04 0.02 1 21 7 7 PRO CA C 62.61 0.02 1 22 7 7 PRO CB C 32.27 0.02 1 23 8 8 GLY H H 7.84 0.015 1 24 8 8 GLY C C 173.58 0.02 1 25 8 8 GLY CA C 43.81 0.02 1 26 8 8 GLY N N 109.38 0.02 1 27 9 9 ALA H H 7.43 0.015 1 28 9 9 ALA CA C 50.02 0.02 1 29 9 9 ALA CB C 16.68 0.02 1 30 9 9 ALA N N 128.91 0.02 1 31 10 10 PRO C C 174.07 0.02 1 32 10 10 PRO CA C 62.59 0.02 1 33 10 10 PRO CB C 31.91 0.02 1 34 11 11 PHE H H 8.60 0.015 1 35 11 11 PHE CA C 57.55 0.02 1 36 11 11 PHE CB C 39.32 0.02 1 37 11 11 PHE N N 120.66 0.02 1 38 12 12 PRO C C 176.42 0.02 1 39 12 12 PRO CA C 62.79 0.02 1 40 12 12 PRO CB C 32.39 0.02 1 41 13 13 ALA H H 8.25 0.015 1 42 13 13 ALA C C 177.91 0.02 1 43 13 13 ALA CA C 51.99 0.02 1 44 13 13 ALA CB C 20.17 0.02 1 45 13 13 ALA N N 125.49 0.02 1 46 14 14 VAL H H 8.80 0.015 1 47 14 14 VAL C C 173.32 0.02 1 48 14 14 VAL CA C 59.17 0.02 1 49 14 14 VAL CB C 34.65 0.02 1 50 14 14 VAL N N 113.34 0.02 1 51 15 15 ALA H H 8.43 0.015 1 52 15 15 ALA C C 177.48 0.02 1 53 15 15 ALA CA C 52.90 0.02 1 54 15 15 ALA CB C 19.48 0.02 1 55 15 15 ALA N N 122.62 0.02 1 56 16 16 ASN H H 7.12 0.015 1 57 16 16 ASN C C 175.34 0.02 1 58 16 16 ASN CA C 52.10 0.02 1 59 16 16 ASN CB C 40.88 0.02 1 60 16 16 ASN N N 112.06 0.02 1 61 17 17 PHE H H 8.63 0.015 1 62 17 17 PHE C C 174.49 0.02 1 63 17 17 PHE CA C 58.90 0.02 1 64 17 17 PHE CB C 39.11 0.02 1 65 17 17 PHE N N 122.55 0.02 1 66 18 18 ASP H H 8.76 0.015 1 67 18 18 ASP C C 178.21 0.02 1 68 18 18 ASP CA C 54.24 0.02 1 69 18 18 ASP CB C 42.01 0.02 1 70 18 18 ASP N N 115.81 0.02 1 71 19 19 ARG H H 7.49 0.015 1 72 19 19 ARG C C 175.72 0.02 1 73 19 19 ARG CA C 54.03 0.02 1 74 19 19 ARG CB C 33.00 0.02 1 75 19 19 ARG N N 118.67 0.02 1 76 20 20 SER H H 8.63 0.015 1 77 20 20 SER C C 178.66 0.02 1 78 20 20 SER CA C 60.27 0.02 1 79 20 20 SER CB C 63.65 0.02 1 80 20 20 SER N N 117.74 0.02 1 81 21 21 GLY H H 8.53 0.015 1 82 21 21 GLY CA C 42.84 0.02 1 83 21 21 GLY N N 111.46 0.02 1 84 22 22 PRO CA C 63.71 0.02 1 85 22 22 PRO CB C 32.44 0.02 1 86 23 23 TYR H H 8.29 0.015 1 87 23 23 TYR C C 177.03 0.02 1 88 23 23 TYR CA C 58.02 0.02 1 89 23 23 TYR CB C 38.31 0.02 1 90 23 23 TYR N N 119.19 0.02 1 91 24 24 THR H H 8.43 0.015 1 92 24 24 THR C C 176.42 0.02 1 93 24 24 THR CA C 62.72 0.02 1 94 24 24 THR CB C 69.59 0.02 1 95 24 24 THR N N 118.68 0.02 1 96 25 25 VAL H H 8.60 0.015 1 97 25 25 VAL C C 173.80 0.02 1 98 25 25 VAL CA C 61.15 0.02 1 99 25 25 VAL N N 115.37 0.02 1 100 26 26 SER H H 9.19 0.015 1 101 26 26 SER C C 172.56 0.02 1 102 26 26 SER CA C 56.99 0.02 1 103 26 26 SER CB C 66.39 0.02 1 104 26 26 SER N N 114.81 0.02 1 105 27 27 SER H H 8.03 0.015 1 106 27 27 SER C C 173.68 0.02 1 107 27 27 SER CA C 56.65 0.02 1 108 27 27 SER CB C 66.49 0.02 1 109 27 27 SER N N 113.54 0.02 1 110 28 28 GLN H H 7.75 0.015 1 111 28 28 GLN C C 174.30 0.02 1 112 28 28 GLN CA C 54.96 0.02 1 113 28 28 GLN CB C 31.87 0.02 1 114 28 28 GLN N N 118.21 0.02 1 115 29 29 SER H H 8.74 0.015 1 116 29 29 SER C C 174.03 0.02 1 117 29 29 SER CA C 58.21 0.02 1 118 29 29 SER CB C 62.77 0.02 1 119 29 29 SER N N 120.28 0.02 1 120 30 30 GLU H H 9.09 0.015 1 121 30 30 GLU C C 174.24 0.02 1 122 30 30 GLU CA C 54.96 0.02 1 123 30 30 GLU CB C 33.40 0.02 1 124 30 30 GLU N N 124.90 0.02 1 125 31 31 GLY H H 8.32 0.015 1 126 31 31 GLY CA C 43.69 0.02 1 127 31 31 GLY N N 106.29 0.02 1 128 32 32 PRO C C 173.34 0.02 1 129 32 32 PRO CA C 61.27 0.02 1 130 32 32 PRO CB C 27.93 0.02 1 131 33 33 SER H H 8.19 0.015 1 132 33 33 SER C C 173.66 0.02 1 133 33 33 SER CA C 58.10 0.02 1 134 33 33 SER CB C 60.99 0.02 1 135 33 33 SER N N 113.83 0.02 1 136 34 34 CYS H H 7.27 0.015 1 137 34 34 CYS C C 172.45 0.02 1 138 34 34 CYS CA C 54.05 0.02 1 139 34 34 CYS CB C 45.63 0.02 1 140 34 34 CYS N N 116.90 0.02 1 141 35 35 ARG H H 9.96 0.015 1 142 35 35 ARG C C 174.48 0.02 1 143 35 35 ARG CA C 54.70 0.02 1 144 35 35 ARG CB C 30.67 0.02 1 145 35 35 ARG N N 126.87 0.02 1 146 36 36 ILE H H 8.73 0.015 1 147 36 36 ILE C C 176.32 0.02 1 148 36 36 ILE CA C 58.83 0.02 1 149 36 36 ILE CB C 37.30 0.02 1 150 36 36 ILE N N 128.82 0.02 1 151 37 37 TYR H H 9.75 0.015 1 152 37 37 TYR C C 174.36 0.02 1 153 37 37 TYR CA C 56.42 0.02 1 154 37 37 TYR CB C 40.33 0.02 1 155 37 37 TYR N N 129.87 0.02 1 156 38 38 ARG H H 8.86 0.015 1 157 38 38 ARG CA C 52.16 0.02 1 158 38 38 ARG CB C 31.16 0.02 1 159 38 38 ARG N N 116.69 0.02 1 160 39 39 PRO C C 175.10 0.02 1 161 39 39 PRO CA C 62.71 0.02 1 162 39 39 PRO CB C 33.52 0.02 1 163 40 40 ARG H H 8.78 0.015 1 164 40 40 ARG C C 176.34 0.02 1 165 40 40 ARG CA C 58.85 0.02 1 166 40 40 ARG CB C 31.41 0.02 1 167 40 40 ARG N N 126.32 0.02 1 168 41 41 ASP H H 8.48 0.015 1 169 41 41 ASP C C 180.71 0.02 1 170 41 41 ASP CA C 51.87 0.02 1 171 41 41 ASP CB C 40.80 0.02 1 172 41 41 ASP N N 118.81 0.02 1 173 42 42 LEU H H 7.99 0.015 1 174 42 42 LEU C C 179.57 0.02 1 175 42 42 LEU CA C 54.76 0.02 1 176 42 42 LEU CB C 43.81 0.02 1 177 42 42 LEU N N 121.85 0.02 1 178 43 43 GLY H H 12.68 0.015 1 179 43 43 GLY C C 174.89 0.02 1 180 43 43 GLY CA C 44.94 0.02 1 181 43 43 GLY N N 115.91 0.02 1 182 44 44 GLN H H 7.88 0.015 1 183 44 44 GLN C C 178.58 0.02 1 184 44 44 GLN CA C 57.75 0.02 1 185 44 44 GLN CB C 29.54 0.02 1 186 44 44 GLN N N 121.70 0.02 1 187 45 45 GLY H H 9.21 0.015 1 188 45 45 GLY C C 174.66 0.02 1 189 45 45 GLY CA C 45.65 0.02 1 190 45 45 GLY N N 115.21 0.02 1 191 46 46 GLY H H 8.32 0.015 1 192 46 46 GLY C C 176.59 0.02 1 193 46 46 GLY CA C 45.32 0.02 1 194 46 46 GLY N N 105.50 0.02 1 195 47 47 VAL H H 6.40 0.015 1 196 47 47 VAL C C 174.81 0.02 1 197 47 47 VAL CA C 61.05 0.02 1 198 47 47 VAL CB C 32.23 0.02 1 199 47 47 VAL N N 114.81 0.02 1 200 48 48 ARG H H 8.11 0.015 1 201 48 48 ARG C C 176.69 0.02 1 202 48 48 ARG CA C 54.77 0.02 1 203 48 48 ARG CB C 32.64 0.02 1 204 48 48 ARG N N 117.41 0.02 1 205 49 49 HIS H H 8.64 0.015 1 206 49 49 HIS CA C 55.07 0.02 1 207 49 49 HIS CB C 30.03 0.02 1 208 49 49 HIS N N 123.56 0.02 1 209 50 50 PRO CA C 61.80 0.02 1 210 50 50 PRO CB C 33.71 0.02 1 211 51 51 VAL H H 8.04 0.015 1 212 51 51 VAL C C 175.74 0.02 1 213 51 51 VAL CA C 60.37 0.02 1 214 51 51 VAL CB C 36.38 0.02 1 215 51 51 VAL N N 118.08 0.02 1 216 52 52 ILE H H 8.76 0.015 1 217 52 52 ILE C C 174.74 0.02 1 218 52 52 ILE CA C 58.94 0.02 1 219 52 52 ILE CB C 41.95 0.02 1 220 52 52 ILE N N 124.20 0.02 1 221 53 53 LEU H H 8.68 0.015 1 222 53 53 LEU C C 175.37 0.02 1 223 53 53 LEU CA C 52.21 0.02 1 224 53 53 LEU CB C 43.62 0.02 1 225 53 53 LEU N N 124.81 0.02 1 226 54 54 TRP H H 8.85 0.015 1 227 54 54 TRP C C 174.27 0.02 1 228 54 54 TRP CA C 55.65 0.02 1 229 54 54 TRP CB C 32.74 0.02 1 230 54 54 TRP N N 122.83 0.02 1 231 55 55 GLY H H 7.17 0.015 1 232 55 55 GLY C C 171.55 0.02 1 233 55 55 GLY CA C 43.70 0.02 1 234 55 55 GLY N N 114.28 0.02 1 235 56 56 ASN H H 9.24 0.015 1 236 56 56 ASN C C 176.90 0.02 1 237 56 56 ASN CA C 53.97 0.02 1 238 56 56 ASN CB C 41.84 0.02 1 239 56 56 ASN N N 122.61 0.02 1 240 57 57 GLY H H 7.37 0.015 1 241 57 57 GLY CA C 45.59 0.02 1 242 57 57 GLY N N 105.96 0.02 1 243 58 58 THR H H 9.14 0.015 1 244 58 58 THR CA C 66.29 0.02 1 245 58 58 THR N N 117.24 0.02 1 246 59 59 GLY H H 8.68 0.015 1 247 59 59 GLY C C 172.41 0.02 1 248 59 59 GLY CA C 45.77 0.02 1 249 59 59 GLY N N 114.78 0.02 1 250 60 60 ALA H H 8.16 0.015 1 251 60 60 ALA C C 175.53 0.02 1 252 60 60 ALA CA C 50.82 0.02 1 253 60 60 ALA CB C 22.04 0.02 1 254 60 60 ALA N N 124.37 0.02 1 255 61 61 GLY H H 7.61 0.015 1 256 61 61 GLY CA C 43.26 0.02 1 257 61 61 GLY N N 104.50 0.02 1 258 62 62 PRO C C 176.67 0.02 1 259 62 62 PRO CA C 65.62 0.02 1 260 62 62 PRO CB C 32.60 0.02 1 261 63 63 SER H H 8.17 0.015 1 262 63 63 SER C C 176.67 0.02 1 263 63 63 SER CA C 61.08 0.02 1 264 63 63 SER CB C 62.55 0.02 1 265 63 63 SER N N 107.58 0.02 1 266 64 64 THR H H 8.12 0.015 1 267 64 64 THR C C 178.83 0.02 1 268 64 64 THR CA C 66.15 0.02 1 269 64 64 THR CB C 69.16 0.02 1 270 64 64 THR N N 120.82 0.02 1 271 65 65 TYR H H 7.85 0.015 1 272 65 65 TYR C C 175.46 0.02 1 273 65 65 TYR CA C 55.40 0.02 1 274 65 65 TYR CB C 38.31 0.02 1 275 65 65 TYR N N 118.98 0.02 1 276 66 66 ALA H H 7.12 0.015 1 277 66 66 ALA C C 179.18 0.02 1 278 66 66 ALA CA C 55.69 0.02 1 279 66 66 ALA CB C 19.67 0.02 1 280 66 66 ALA N N 121.20 0.02 1 281 67 67 GLY H H 7.77 0.015 1 282 67 67 GLY C C 175.59 0.02 1 283 67 67 GLY CA C 47.21 0.02 1 284 67 67 GLY N N 106.33 0.02 1 285 68 68 LEU H H 7.53 0.015 1 286 68 68 LEU CA C 57.18 0.02 1 287 68 68 LEU CB C 41.80 0.02 1 288 68 68 LEU N N 126.74 0.02 1 289 69 69 LEU H H 7.29 0.015 1 290 69 69 LEU C C 179.50 0.02 1 291 69 69 LEU CA C 57.55 0.02 1 292 69 69 LEU CB C 38.22 0.02 1 293 69 69 LEU N N 116.23 0.02 1 294 70 70 SER H H 8.09 0.015 1 295 70 70 SER C C 176.00 0.02 1 296 70 70 SER CA C 61.99 0.02 1 297 70 70 SER CB C 63.19 0.02 1 298 70 70 SER N N 112.37 0.02 1 299 71 71 HIS H H 7.64 0.015 1 300 71 71 HIS CA C 60.24 0.02 1 301 71 71 HIS CB C 30.10 0.02 1 302 71 71 HIS N N 123.89 0.02 1 303 72 72 TRP H H 8.38 0.015 1 304 72 72 TRP C C 179.80 0.02 1 305 72 72 TRP CA C 59.15 0.02 1 306 72 72 TRP CB C 28.88 0.02 1 307 72 72 TRP N N 121.91 0.02 1 308 73 73 ALA H H 8.17 0.015 1 309 73 73 ALA C C 180.78 0.02 1 310 73 73 ALA CA C 54.35 0.02 1 311 73 73 ALA CB C 17.79 0.02 1 312 73 73 ALA N N 123.31 0.02 1 313 74 74 SER H H 8.73 0.015 1 314 74 74 SER C C 175.48 0.02 1 315 74 74 SER CA C 61.23 0.02 1 316 74 74 SER CB C 62.94 0.02 1 317 74 74 SER N N 117.23 0.02 1 318 75 75 HIS H H 7.80 0.015 1 319 75 75 HIS C C 175.09 0.02 1 320 75 75 HIS CA C 59.97 0.02 1 321 75 75 HIS CB C 32.84 0.02 1 322 75 75 HIS N N 119.60 0.02 1 323 76 76 GLY H H 8.22 0.015 1 324 76 76 GLY CA C 45.13 0.02 1 325 76 76 GLY N N 104.36 0.02 1 326 77 77 PHE H H 7.24 0.015 1 327 77 77 PHE C C 174.30 0.02 1 328 77 77 PHE CA C 58.94 0.02 1 329 77 77 PHE CB C 39.66 0.02 1 330 77 77 PHE N N 118.75 0.02 1 331 78 78 VAL H H 8.44 0.015 1 332 78 78 VAL C C 173.97 0.02 1 333 78 78 VAL CA C 63.25 0.02 1 334 78 78 VAL CB C 31.71 0.02 1 335 78 78 VAL N N 119.88 0.02 1 336 79 79 VAL H H 9.35 0.015 1 337 79 79 VAL C C 174.73 0.02 1 338 79 79 VAL CA C 59.97 0.02 1 339 79 79 VAL CB C 33.25 0.02 1 340 79 79 VAL N N 129.20 0.02 1 341 80 80 ALA H H 9.66 0.015 1 342 80 80 ALA C C 174.62 0.02 1 343 80 80 ALA CA C 49.62 0.02 1 344 80 80 ALA CB C 20.85 0.02 1 345 80 80 ALA N N 129.55 0.02 1 346 81 81 ALA H H 9.49 0.015 1 347 81 81 ALA C C 177.43 0.02 1 348 81 81 ALA CA C 49.62 0.02 1 349 81 81 ALA CB C 20.97 0.02 1 350 81 81 ALA N N 126.95 0.02 1 351 82 82 ALA H H 8.37 0.015 1 352 82 82 ALA C C 178.93 0.02 1 353 82 82 ALA CA C 53.17 0.02 1 354 82 82 ALA CB C 18.08 0.02 1 355 82 82 ALA N N 127.95 0.02 1 356 83 83 GLU H H 8.67 0.015 1 357 83 83 GLU C C 177.39 0.02 1 358 83 83 GLU CA C 58.94 0.02 1 359 83 83 GLU CB C 29.75 0.02 1 360 83 83 GLU N N 124.18 0.02 1 361 84 84 THR H H 8.10 0.015 1 362 84 84 THR CA C 61.61 0.02 1 363 84 84 THR CB C 67.78 0.02 1 364 84 84 THR N N 110.26 0.02 1 365 85 85 SER H H 8.38 0.015 1 366 85 85 SER C C 174.92 0.02 1 367 85 85 SER CA C 58.51 0.02 1 368 85 85 SER CB C 64.35 0.02 1 369 85 85 SER N N 122.60 0.02 1 370 86 86 ASN H H 8.76 0.015 1 371 86 86 ASN C C 174.58 0.02 1 372 86 86 ASN CA C 52.41 0.02 1 373 86 86 ASN CB C 40.44 0.02 1 374 86 86 ASN N N 124.73 0.02 1 375 87 87 ALA H H 9.56 0.015 1 376 87 87 ALA C C 180.42 0.02 1 377 87 87 ALA CA C 52.54 0.02 1 378 87 87 ALA CB C 19.94 0.02 1 379 87 87 ALA N N 124.26 0.02 1 380 88 88 GLY H H 9.74 0.015 1 381 88 88 GLY C C 175.16 0.02 1 382 88 88 GLY CA C 47.36 0.02 1 383 88 88 GLY N N 109.86 0.02 1 384 89 89 THR H H 9.41 0.015 1 385 89 89 THR CA C 64.05 0.02 1 386 89 89 THR CB C 70.88 0.02 1 387 89 89 THR N N 110.06 0.02 1 388 90 90 GLY H H 8.05 0.015 1 389 90 90 GLY CA C 46.06 0.02 1 390 90 90 GLY N N 107.62 0.02 1 391 91 91 ARG H H 7.82 0.015 1 392 91 91 ARG C C 179.39 0.02 1 393 91 91 ARG CA C 60.43 0.02 1 394 91 91 ARG CB C 30.18 0.02 1 395 91 91 ARG N N 119.49 0.02 1 396 92 92 GLU H H 9.17 0.015 1 397 92 92 GLU CA C 60.39 0.02 1 398 92 92 GLU CB C 27.04 0.02 1 399 92 92 GLU N N 119.41 0.02 1 400 93 93 MET H H 7.46 0.015 1 401 93 93 MET C C 177.92 0.02 1 402 93 93 MET CA C 59.78 0.02 1 403 93 93 MET CB C 34.48 0.02 1 404 93 93 MET N N 119.03 0.02 1 405 94 94 LEU H H 7.74 0.015 1 406 94 94 LEU CA C 57.29 0.02 1 407 94 94 LEU CB C 41.53 0.02 1 408 94 94 LEU N N 118.04 0.02 1 409 95 95 ALA H H 8.24 0.015 1 410 95 95 ALA CA C 55.04 0.02 1 411 95 95 ALA CB C 17.43 0.02 1 412 95 95 ALA N N 123.04 0.02 1 413 96 96 CYS H H 7.44 0.015 1 414 96 96 CYS C C 176.32 0.02 1 415 96 96 CYS CA C 58.13 0.02 1 416 96 96 CYS CB C 41.23 0.02 1 417 96 96 CYS N N 114.89 0.02 1 418 97 97 LEU H H 7.46 0.015 1 419 97 97 LEU CA C 58.02 0.02 1 420 97 97 LEU CB C 40.11 0.02 1 421 97 97 LEU N N 121.67 0.02 1 422 98 98 ASP H H 8.51 0.015 1 423 98 98 ASP CA C 57.94 0.02 1 424 98 98 ASP CB C 40.17 0.02 1 425 98 98 ASP N N 119.14 0.02 1 426 99 99 TYR H H 7.47 0.015 1 427 99 99 TYR C C 175.51 0.02 1 428 99 99 TYR CA C 60.29 0.02 1 429 99 99 TYR CB C 38.25 0.02 1 430 99 99 TYR N N 119.04 0.02 1 431 100 100 LEU H H 7.50 0.015 1 432 100 100 LEU C C 178.60 0.02 1 433 100 100 LEU CA C 57.62 0.02 1 434 100 100 LEU CB C 41.48 0.02 1 435 100 100 LEU N N 119.82 0.02 1 436 101 101 VAL H H 8.84 0.015 1 437 101 101 VAL C C 178.28 0.02 1 438 101 101 VAL CA C 66.69 0.02 1 439 101 101 VAL CB C 32.16 0.02 1 440 101 101 VAL N N 119.04 0.02 1 441 102 102 ARG H H 7.43 0.015 1 442 102 102 ARG C C 180.32 0.02 1 443 102 102 ARG CA C 59.01 0.02 1 444 102 102 ARG CB C 30.06 0.02 1 445 102 102 ARG N N 118.24 0.02 1 446 103 103 GLU H H 8.19 0.015 1 447 103 103 GLU C C 179.09 0.02 1 448 103 103 GLU CA C 58.63 0.02 1 449 103 103 GLU CB C 29.28 0.02 1 450 103 103 GLU N N 119.16 0.02 1 451 104 104 ASN H H 8.16 0.015 1 452 104 104 ASN C C 176.82 0.02 1 453 104 104 ASN CA C 55.19 0.02 1 454 104 104 ASN CB C 40.76 0.02 1 455 104 104 ASN N N 117.60 0.02 1 456 105 105 ASP H H 7.29 0.015 1 457 105 105 ASP C C 177.48 0.02 1 458 105 105 ASP CA C 54.71 0.02 1 459 105 105 ASP CB C 41.88 0.02 1 460 105 105 ASP N N 116.18 0.02 1 461 106 106 THR H H 7.33 0.015 1 462 106 106 THR CA C 59.95 0.02 1 463 106 106 THR CB C 70.00 0.02 1 464 106 106 THR N N 118.10 0.02 1 465 107 107 PRO C C 176.16 0.02 1 466 107 107 PRO CA C 64.02 0.02 1 467 107 107 PRO CB C 31.87 0.02 1 468 108 108 TYR H H 7.83 0.015 1 469 108 108 TYR C C 175.18 0.02 1 470 108 108 TYR CA C 57.37 0.02 1 471 108 108 TYR CB C 37.86 0.02 1 472 108 108 TYR N N 113.78 0.02 1 473 109 109 GLY H H 8.43 0.015 1 474 109 109 GLY C C 175.19 0.02 1 475 109 109 GLY CA C 44.29 0.02 1 476 109 109 GLY N N 109.26 0.02 1 477 110 110 THR H H 8.57 0.015 1 478 110 110 THR C C 174.84 0.02 1 479 110 110 THR CA C 65.89 0.02 1 480 110 110 THR CB C 70.03 0.02 1 481 110 110 THR N N 116.68 0.02 1 482 111 111 TYR H H 8.57 0.015 1 483 111 111 TYR C C 175.55 0.02 1 484 111 111 TYR CA C 58.63 0.02 1 485 111 111 TYR CB C 38.83 0.02 1 486 111 111 TYR N N 114.01 0.02 1 487 112 112 SER H H 6.87 0.015 1 488 112 112 SER C C 176.25 0.02 1 489 112 112 SER CA C 59.47 0.02 1 490 112 112 SER CB C 63.25 0.02 1 491 112 112 SER N N 113.30 0.02 1 492 113 113 GLY H H 9.14 0.015 1 493 113 113 GLY C C 174.88 0.02 1 494 113 113 GLY CA C 46.56 0.02 1 495 113 113 GLY N N 117.84 0.02 1 496 114 114 LYS H H 8.63 0.015 1 497 114 114 LYS C C 176.55 0.02 1 498 114 114 LYS CA C 55.00 0.02 1 499 114 114 LYS CB C 34.97 0.02 1 500 114 114 LYS N N 115.04 0.02 1 501 115 115 LEU H H 8.51 0.015 1 502 115 115 LEU C C 176.65 0.02 1 503 115 115 LEU CA C 52.71 0.02 1 504 115 115 LEU CB C 44.38 0.02 1 505 115 115 LEU N N 116.25 0.02 1 506 116 116 ASN H H 8.41 0.015 1 507 116 116 ASN C C 176.50 0.02 1 508 116 116 ASN CA C 50.00 0.02 1 509 116 116 ASN CB C 37.34 0.02 1 510 116 116 ASN N N 119.21 0.02 1 511 117 117 THR H H 8.51 0.015 1 512 117 117 THR C C 173.01 0.02 1 513 117 117 THR CA C 62.41 0.02 1 514 117 117 THR CB C 67.13 0.02 1 515 117 117 THR N N 109.91 0.02 1 516 118 118 GLY H H 8.07 0.015 1 517 118 118 GLY C C 174.87 0.02 1 518 118 118 GLY CA C 46.10 0.02 1 519 118 118 GLY N N 106.01 0.02 1 520 119 119 ARG H H 7.50 0.015 1 521 119 119 ARG C C 171.54 0.02 1 522 119 119 ARG CA C 54.12 0.02 1 523 119 119 ARG CB C 32.47 0.02 1 524 119 119 ARG N N 121.89 0.02 1 525 120 120 VAL H H 8.03 0.015 1 526 120 120 VAL C C 175.74 0.02 1 527 120 120 VAL CA C 59.81 0.02 1 528 120 120 VAL CB C 34.81 0.02 1 529 120 120 VAL N N 122.89 0.02 1 530 121 121 GLY H H 9.15 0.015 1 531 121 121 GLY C C 172.63 0.02 1 532 121 121 GLY CA C 43.21 0.02 1 533 121 121 GLY N N 113.81 0.02 1 534 122 122 THR H H 8.27 0.015 1 535 122 122 THR C C 172.37 0.02 1 536 122 122 THR CA C 58.47 0.02 1 537 122 122 THR CB C 71.09 0.02 1 538 122 122 THR N N 107.23 0.02 1 539 123 123 SER H H 9.27 0.015 1 540 123 123 SER C C 172.09 0.02 1 541 123 123 SER CA C 56.22 0.02 1 542 123 123 SER CB C 65.42 0.02 1 543 123 123 SER N N 114.18 0.02 1 544 124 124 GLY H H 7.35 0.015 1 545 124 124 GLY C C 170.94 0.02 1 546 124 124 GLY CA C 45.19 0.02 1 547 124 124 GLY N N 110.55 0.02 1 548 125 125 HIS H H 6.35 0.015 1 549 125 125 HIS C C 177.57 0.02 1 550 125 125 HIS CA C 50.94 0.02 1 551 125 125 HIS CB C 34.96 0.02 1 552 125 125 HIS N N 116.84 0.02 1 553 126 126 SER H H 8.01 0.015 1 554 126 126 SER C C 178.64 0.02 1 555 126 126 SER CA C 57.60 0.02 1 556 126 126 SER CB C 62.27 0.02 1 557 126 126 SER N N 124.17 0.02 1 558 127 127 GLN H H 10.71 0.015 1 559 127 127 GLN C C 176.96 0.02 1 560 127 127 GLN CA C 60.47 0.02 1 561 127 127 GLN CB C 27.67 0.02 1 562 127 127 GLN N N 134.73 0.02 1 563 128 128 GLY H H 7.82 0.015 1 564 128 128 GLY C C 173.96 0.02 1 565 128 128 GLY CA C 46.76 0.02 1 566 128 128 GLY N N 108.59 0.02 1 567 129 129 GLY H H 6.81 0.015 1 568 129 129 GLY C C 176.98 0.02 1 569 129 129 GLY CA C 46.57 0.02 1 570 129 129 GLY N N 109.71 0.02 1 571 130 130 GLY H H 8.14 0.015 1 572 130 130 GLY C C 178.09 0.02 1 573 130 130 GLY CA C 48.90 0.02 1 574 130 130 GLY N N 112.73 0.02 1 575 131 131 GLY H H 8.88 0.015 1 576 131 131 GLY C C 175.84 0.02 1 577 131 131 GLY CA C 47.21 0.02 1 578 131 131 GLY N N 110.00 0.02 1 579 132 132 SER H H 7.96 0.015 1 580 132 132 SER C C 176.19 0.02 1 581 132 132 SER CA C 62.34 0.02 1 582 132 132 SER CB C 62.59 0.02 1 583 132 132 SER N N 117.84 0.02 1 584 133 133 ILE H H 7.08 0.015 1 585 133 133 ILE C C 178.71 0.02 1 586 133 133 ILE CA C 64.97 0.02 1 587 133 133 ILE CB C 38.75 0.02 1 588 133 133 ILE N N 123.59 0.02 1 589 134 134 MET H H 8.39 0.015 1 590 134 134 MET C C 181.00 0.02 1 591 134 134 MET CA C 57.60 0.02 1 592 134 134 MET CB C 31.59 0.02 1 593 134 134 MET N N 121.04 0.02 1 594 135 135 ALA H H 9.33 0.015 1 595 135 135 ALA C C 177.33 0.02 1 596 135 135 ALA CA C 54.09 0.02 1 597 135 135 ALA CB C 18.40 0.02 1 598 135 135 ALA N N 121.73 0.02 1 599 136 136 GLY H H 7.56 0.015 1 600 136 136 GLY C C 172.97 0.02 1 601 136 136 GLY CA C 45.45 0.02 1 602 136 136 GLY N N 105.03 0.02 1 603 137 137 GLN H H 6.92 0.015 1 604 137 137 GLN C C 176.94 0.02 1 605 137 137 GLN CA C 56.11 0.02 1 606 137 137 GLN CB C 32.71 0.02 1 607 137 137 GLN N N 114.05 0.02 1 608 138 138 ASP H H 7.86 0.015 1 609 138 138 ASP C C 177.23 0.02 1 610 138 138 ASP CA C 54.70 0.02 1 611 138 138 ASP CB C 44.29 0.02 1 612 138 138 ASP N N 122.08 0.02 1 613 139 139 THR H H 8.14 0.015 1 614 139 139 THR C C 174.88 0.02 1 615 139 139 THR CA C 64.06 0.02 1 616 139 139 THR CB C 69.29 0.02 1 617 139 139 THR N N 116.19 0.02 1 618 140 140 ARG H H 9.33 0.015 1 619 140 140 ARG C C 176.62 0.02 1 620 140 140 ARG CA C 56.91 0.02 1 621 140 140 ARG CB C 31.59 0.02 1 622 140 140 ARG N N 119.25 0.02 1 623 141 141 VAL H H 8.08 0.015 1 624 141 141 VAL C C 174.82 0.02 1 625 141 141 VAL CA C 63.83 0.02 1 626 141 141 VAL CB C 32.14 0.02 1 627 141 141 VAL N N 121.50 0.02 1 628 142 142 ARG H H 8.87 0.015 1 629 142 142 ARG C C 180.86 0.02 1 630 142 142 ARG CA C 55.27 0.02 1 631 142 142 ARG CB C 31.63 0.02 1 632 142 142 ARG N N 123.70 0.02 1 633 143 143 THR H H 7.49 0.015 1 634 143 143 THR C C 170.21 0.02 1 635 143 143 THR CA C 60.12 0.02 1 636 143 143 THR CB C 68.34 0.02 1 637 143 143 THR N N 110.74 0.02 1 638 144 144 THR H H 8.18 0.015 1 639 144 144 THR CA C 60.43 0.02 1 640 144 144 THR CB C 73.44 0.02 1 641 144 144 THR N N 115.97 0.02 1 642 145 145 ALA H H 8.56 0.015 1 643 145 145 ALA CA C 48.32 0.02 1 644 145 145 ALA CB C 18.77 0.02 1 645 145 145 ALA N N 120.60 0.02 1 646 146 146 PRO C C 174.92 0.02 1 647 146 146 PRO CA C 62.76 0.02 1 648 146 146 PRO CB C 31.47 0.02 1 649 147 147 ILE H H 8.17 0.015 1 650 147 147 ILE C C 175.03 0.02 1 651 147 147 ILE CA C 60.58 0.02 1 652 147 147 ILE N N 121.72 0.02 1 653 148 148 GLN H H 6.41 0.015 1 654 148 148 GLN CA C 54.26 0.02 1 655 148 148 GLN N N 114.50 0.02 1 656 149 149 PRO C C 173.40 0.02 1 657 149 149 PRO CA C 62.30 0.02 1 658 149 149 PRO CB C 31.83 0.02 1 659 150 150 TYR H H 6.62 0.015 1 660 150 150 TYR C C 175.94 0.02 1 661 150 150 TYR CA C 55.35 0.02 1 662 150 150 TYR CB C 40.59 0.02 1 663 150 150 TYR N N 119.31 0.02 1 664 151 151 THR H H 8.85 0.015 1 665 151 151 THR C C 173.35 0.02 1 666 151 151 THR CA C 58.85 0.02 1 667 151 151 THR CB C 68.72 0.02 1 668 151 151 THR N N 115.35 0.02 1 669 152 152 LEU H H 5.23 0.015 1 670 152 152 LEU C C 175.44 0.02 1 671 152 152 LEU CA C 54.45 0.02 1 672 152 152 LEU CB C 41.38 0.02 1 673 152 152 LEU N N 118.24 0.02 1 674 153 153 GLY H H 6.36 0.015 1 675 153 153 GLY C C 172.72 0.02 1 676 153 153 GLY CA C 45.44 0.02 1 677 153 153 GLY N N 104.15 0.02 1 678 154 154 LEU H H 9.41 0.015 1 679 154 154 LEU C C 174.50 0.02 1 680 154 154 LEU CA C 55.38 0.02 1 681 154 154 LEU CB C 39.39 0.02 1 682 154 154 LEU N N 121.45 0.02 1 683 155 155 GLY H H 8.02 0.015 1 684 155 155 GLY C C 173.98 0.02 1 685 155 155 GLY CA C 44.29 0.02 1 686 155 155 GLY N N 102.13 0.02 1 687 156 156 HIS H H 6.91 0.015 1 688 156 156 HIS C C 174.89 0.02 1 689 156 156 HIS CA C 59.28 0.02 1 690 156 156 HIS CB C 29.74 0.02 1 691 156 156 HIS N N 117.72 0.02 1 692 157 157 ASP H H 7.35 0.015 1 693 157 157 ASP CA C 51.76 0.02 1 694 157 157 ASP CB C 42.04 0.02 1 695 157 157 ASP N N 127.06 0.02 1 696 158 158 SER H H 9.22 0.015 1 697 158 158 SER C C 176.26 0.02 1 698 158 158 SER CA C 60.96 0.02 1 699 158 158 SER CB C 62.87 0.02 1 700 158 158 SER N N 123.88 0.02 1 701 159 159 ALA H H 8.31 0.015 1 702 159 159 ALA C C 180.08 0.02 1 703 159 159 ALA CA C 54.76 0.02 1 704 159 159 ALA CB C 17.73 0.02 1 705 159 159 ALA N N 126.19 0.02 1 706 160 160 SER H H 7.96 0.015 1 707 160 160 SER C C 177.93 0.02 1 708 160 160 SER CA C 61.57 0.02 1 709 160 160 SER CB C 64.21 0.02 1 710 160 160 SER N N 112.40 0.02 1 711 161 161 GLN H H 7.42 0.015 1 712 161 161 GLN CA C 57.91 0.02 1 713 161 161 GLN CB C 28.11 0.02 1 714 161 161 GLN N N 123.24 0.02 1 715 162 162 ARG H H 6.90 0.015 1 716 162 162 ARG C C 175.36 0.02 1 717 162 162 ARG CA C 54.54 0.02 1 718 162 162 ARG CB C 30.18 0.02 1 719 162 162 ARG N N 109.56 0.02 1 720 163 163 ARG H H 7.22 0.015 1 721 163 163 ARG C C 175.72 0.02 1 722 163 163 ARG CA C 54.99 0.02 1 723 163 163 ARG CB C 31.19 0.02 1 724 163 163 ARG N N 120.35 0.02 1 725 164 164 GLN H H 8.58 0.015 1 726 164 164 GLN C C 175.41 0.02 1 727 164 164 GLN CA C 54.89 0.02 1 728 164 164 GLN CB C 32.07 0.02 1 729 164 164 GLN N N 117.75 0.02 1 730 165 165 GLN H H 7.80 0.015 1 731 165 165 GLN C C 176.15 0.02 1 732 165 165 GLN CA C 55.53 0.02 1 733 165 165 GLN CB C 29.52 0.02 1 734 165 165 GLN N N 117.30 0.02 1 735 166 166 GLY H H 7.85 0.015 1 736 166 166 GLY CA C 43.87 0.02 1 737 166 166 GLY N N 108.06 0.02 1 738 167 167 PRO C C 173.15 0.02 1 739 168 168 MET H H 8.69 0.015 1 740 168 168 MET C C 173.93 0.02 1 741 168 168 MET CA C 54.16 0.02 1 742 168 168 MET CB C 37.85 0.02 1 743 168 168 MET N N 126.27 0.02 1 744 169 169 PHE H H 8.31 0.015 1 745 169 169 PHE CA C 51.59 0.02 1 746 169 169 PHE CB C 33.59 0.02 1 747 169 169 PHE N N 127.25 0.02 1 748 170 170 LEU H H 8.74 0.015 1 749 170 170 LEU C C 174.62 0.02 1 750 170 170 LEU CA C 54.05 0.02 1 751 170 170 LEU CB C 44.75 0.02 1 752 170 170 LEU N N 126.02 0.02 1 753 171 171 MET H H 8.09 0.015 1 754 171 171 MET C C 176.25 0.02 1 755 171 171 MET CA C 53.74 0.02 1 756 171 171 MET CB C 38.59 0.02 1 757 171 171 MET N N 125.16 0.02 1 758 172 172 SER H H 9.01 0.015 1 759 172 172 SER C C 176.91 0.02 1 760 172 172 SER CA C 57.41 0.02 1 761 172 172 SER CB C 65.74 0.02 1 762 172 172 SER N N 113.44 0.02 1 763 173 173 GLY H H 9.55 0.015 1 764 173 173 GLY C C 172.79 0.02 1 765 173 173 GLY CA C 45.50 0.02 1 766 173 173 GLY N N 114.65 0.02 1 767 174 174 GLY H H 9.13 0.015 1 768 174 174 GLY C C 174.25 0.02 1 769 174 174 GLY CA C 47.13 0.02 1 770 174 174 GLY N N 111.31 0.02 1 771 175 175 GLY H H 8.32 0.015 1 772 175 175 GLY C C 174.56 0.02 1 773 175 175 GLY CA C 44.80 0.02 1 774 175 175 GLY N N 106.62 0.02 1 775 176 176 ASP H H 7.30 0.015 1 776 176 176 ASP CA C 54.27 0.02 1 777 176 176 ASP CB C 41.52 0.02 1 778 176 176 ASP N N 119.69 0.02 1 779 177 177 THR H H 8.16 0.015 1 780 177 177 THR CA C 61.59 0.02 1 781 177 177 THR CB C 68.89 0.02 1 782 177 177 THR N N 115.90 0.02 1 783 178 178 ILE H H 8.38 0.015 1 784 178 178 ILE C C 174.68 0.02 1 785 178 178 ILE CA C 61.54 0.02 1 786 178 178 ILE CB C 38.29 0.02 1 787 178 178 ILE N N 126.16 0.02 1 788 179 179 ALA H H 8.92 0.015 1 789 179 179 ALA CA C 54.60 0.02 1 790 179 179 ALA CB C 25.40 0.02 1 791 179 179 ALA N N 121.30 0.02 1 792 181 181 PRO C C 173.80 0.02 1 793 181 181 PRO CA C 61.82 0.02 1 794 181 181 PRO CB C 33.74 0.02 1 795 182 182 TYR H H 8.05 0.015 1 796 182 182 TYR C C 175.03 0.02 1 797 182 182 TYR CA C 60.37 0.02 1 798 182 182 TYR CB C 36.34 0.02 1 799 182 182 TYR N N 118.03 0.02 1 800 183 183 LEU H H 6.25 0.015 1 801 183 183 LEU C C 176.85 0.02 1 802 183 183 LEU CA C 54.93 0.02 1 803 183 183 LEU CB C 44.89 0.02 1 804 183 183 LEU N N 114.01 0.02 1 805 184 184 ASN H H 7.56 0.015 1 806 184 184 ASN C C 174.41 0.02 1 807 184 184 ASN CA C 54.97 0.02 1 808 184 184 ASN CB C 43.75 0.02 1 809 184 184 ASN N N 112.54 0.02 1 810 185 185 ALA H H 8.51 0.015 1 811 185 185 ALA C C 175.73 0.02 1 812 185 185 ALA CA C 52.83 0.02 1 813 185 185 ALA CB C 19.37 0.02 1 814 185 185 ALA N N 120.34 0.02 1 815 186 186 GLN H H 7.93 0.015 1 816 186 186 GLN CA C 59.95 0.02 1 817 186 186 GLN CB C 25.81 0.02 1 818 186 186 GLN N N 119.31 0.02 1 819 187 187 PRO C C 177.75 0.02 1 820 187 187 PRO CA C 65.90 0.02 1 821 187 187 PRO CB C 30.99 0.02 1 822 188 188 VAL H H 6.16 0.015 1 823 188 188 VAL C C 177.40 0.02 1 824 188 188 VAL CA C 64.87 0.02 1 825 188 188 VAL CB C 30.74 0.02 1 826 188 188 VAL N N 114.36 0.02 1 827 189 189 TYR H H 6.96 0.015 1 828 189 189 TYR C C 177.15 0.02 1 829 189 189 TYR CA C 61.19 0.02 1 830 189 189 TYR CB C 38.79 0.02 1 831 189 189 TYR N N 117.25 0.02 1 832 190 190 ARG H H 7.82 0.015 1 833 190 190 ARG C C 178.02 0.02 1 834 190 190 ARG CA C 58.52 0.02 1 835 190 190 ARG CB C 30.42 0.02 1 836 190 190 ARG N N 115.19 0.02 1 837 191 191 ARG H H 7.72 0.015 1 838 191 191 ARG C C 176.59 0.02 1 839 191 191 ARG CA C 57.29 0.02 1 840 191 191 ARG CB C 32.35 0.02 1 841 191 191 ARG N N 116.27 0.02 1 842 192 192 ALA H H 7.53 0.015 1 843 192 192 ALA C C 178.50 0.02 1 844 192 192 ALA CA C 53.21 0.02 1 845 192 192 ALA CB C 18.03 0.02 1 846 192 192 ALA N N 119.46 0.02 1 847 193 193 ASN H H 8.97 0.015 1 848 193 193 ASN C C 172.97 0.02 1 849 193 193 ASN CA C 54.39 0.02 1 850 193 193 ASN CB C 37.67 0.02 1 851 193 193 ASN N N 117.36 0.02 1 852 194 194 VAL H H 6.65 0.015 1 853 194 194 VAL CA C 57.01 0.02 1 854 194 194 VAL CB C 32.61 0.02 1 855 194 194 VAL N N 112.06 0.02 1 856 195 195 PRO C C 175.39 0.02 1 857 196 196 VAL H H 8.58 0.015 1 858 196 196 VAL C C 173.43 0.02 1 859 196 196 VAL CA C 59.24 0.02 1 860 196 196 VAL CB C 35.61 0.02 1 861 196 196 VAL N N 119.68 0.02 1 862 197 197 PHE H H 9.18 0.015 1 863 197 197 PHE C C 173.95 0.02 1 864 197 197 PHE CA C 56.03 0.02 1 865 197 197 PHE CB C 40.68 0.02 1 866 197 197 PHE N N 129.31 0.02 1 867 198 198 TRP H H 9.70 0.015 1 868 198 198 TRP C C 174.82 0.02 1 869 198 198 TRP CA C 52.80 0.02 1 870 198 198 TRP CB C 30.59 0.02 1 871 198 198 TRP N N 131.17 0.02 1 872 199 199 GLY H H 9.64 0.015 1 873 199 199 GLY C C 170.31 0.02 1 874 199 199 GLY CA C 45.59 0.02 1 875 199 199 GLY N N 113.11 0.02 1 876 200 200 GLU H H 8.91 0.015 1 877 200 200 GLU C C 174.65 0.02 1 878 200 200 GLU CA C 54.96 0.02 1 879 200 200 GLU CB C 32.45 0.02 1 880 200 200 GLU N N 127.24 0.02 1 881 201 201 ARG H H 7.76 0.015 1 882 201 201 ARG C C 174.62 0.02 1 883 201 201 ARG CA C 52.90 0.02 1 884 201 201 ARG CB C 28.45 0.02 1 885 201 201 ARG N N 130.55 0.02 1 886 202 202 ARG H H 8.71 0.015 1 887 202 202 ARG CA C 57.52 0.02 1 888 202 202 ARG CB C 30.14 0.02 1 889 202 202 ARG N N 130.45 0.02 1 890 203 203 TYR H H 8.76 0.015 1 891 203 203 TYR C C 177.40 0.02 1 892 203 203 TYR CA C 60.51 0.02 1 893 203 203 TYR CB C 36.59 0.02 1 894 203 203 TYR N N 113.18 0.02 1 895 204 204 VAL H H 7.53 0.015 1 896 204 204 VAL CA C 60.87 0.02 1 897 204 204 VAL CB C 33.06 0.02 1 898 204 204 VAL N N 112.76 0.02 1 899 205 205 GLY H H 8.39 0.015 1 900 205 205 GLY C C 172.10 0.02 1 901 205 205 GLY CA C 43.36 0.02 1 902 205 205 GLY N N 106.29 0.02 1 903 206 206 HIS H H 8.83 0.015 1 904 206 206 HIS C C 172.10 0.02 1 905 206 206 HIS CA C 56.46 0.02 1 906 206 206 HIS CB C 31.44 0.02 1 907 206 206 HIS N N 116.69 0.02 1 908 207 207 PHE H H 8.53 0.015 1 909 207 207 PHE C C 176.36 0.02 1 910 207 207 PHE CA C 56.05 0.02 1 911 207 207 PHE CB C 37.82 0.02 1 912 207 207 PHE N N 110.41 0.02 1 913 208 208 GLU H H 7.62 0.015 1 914 208 208 GLU CA C 58.75 0.02 1 915 208 208 GLU CB C 27.47 0.02 1 916 208 208 GLU N N 124.23 0.02 1 917 209 209 PRO C C 175.83 0.02 1 918 209 209 PRO CA C 63.59 0.02 1 919 209 209 PRO CB C 31.14 0.02 1 920 210 210 VAL H H 6.93 0.015 1 921 210 210 VAL C C 178.70 0.02 1 922 210 210 VAL CA C 64.23 0.02 1 923 210 210 VAL N N 112.17 0.02 1 924 211 211 GLY H H 8.42 0.015 1 925 211 211 GLY C C 174.12 0.02 1 926 211 211 GLY CA C 46.96 0.02 1 927 211 211 GLY N N 114.81 0.02 1 928 212 212 SER H H 8.22 0.015 1 929 212 212 SER C C 174.66 0.02 1 930 212 212 SER CA C 58.59 0.02 1 931 212 212 SER CB C 64.67 0.02 1 932 212 212 SER N N 120.64 0.02 1 933 213 213 GLY H H 7.15 0.015 1 934 213 213 GLY C C 172.97 0.02 1 935 213 213 GLY CA C 46.31 0.02 1 936 213 213 GLY N N 108.75 0.02 1 937 214 214 GLY H H 7.97 0.015 1 938 214 214 GLY C C 176.56 0.02 1 939 214 214 GLY CA C 46.33 0.02 1 940 214 214 GLY N N 108.25 0.02 1 941 215 215 ALA H H 10.44 0.015 1 942 215 215 ALA C C 177.26 0.02 1 943 215 215 ALA CA C 53.15 0.02 1 944 215 215 ALA CB C 19.59 0.02 1 945 215 215 ALA N N 129.10 0.02 1 946 216 216 TYR H H 7.93 0.015 1 947 216 216 TYR C C 177.75 0.02 1 948 216 216 TYR CA C 58.40 0.02 1 949 216 216 TYR CB C 37.82 0.02 1 950 216 216 TYR N N 111.12 0.02 1 951 217 217 ARG H H 7.83 0.015 1 952 217 217 ARG C C 177.97 0.02 1 953 217 217 ARG CA C 61.15 0.02 1 954 217 217 ARG CB C 29.90 0.02 1 955 217 217 ARG N N 126.21 0.02 1 956 218 218 GLY H H 9.79 0.015 1 957 218 218 GLY CA C 46.74 0.02 1 958 218 218 GLY N N 110.44 0.02 1 959 219 219 PRO C C 178.60 0.02 1 960 219 219 PRO CA C 65.96 0.02 1 961 219 219 PRO CB C 32.69 0.02 1 962 220 220 SER H H 8.31 0.015 1 963 220 220 SER C C 175.66 0.02 1 964 220 220 SER CA C 63.40 0.02 1 965 220 220 SER CB C 61.99 0.02 1 966 220 220 SER N N 111.49 0.02 1 967 221 221 THR H H 7.88 0.015 1 968 221 221 THR C C 175.97 0.02 1 969 221 221 THR CA C 68.18 0.02 1 970 221 221 THR CB C 68.09 0.02 1 971 221 221 THR N N 121.61 0.02 1 972 222 222 ALA H H 8.56 0.015 1 973 222 222 ALA C C 178.38 0.02 1 974 222 222 ALA CA C 55.56 0.02 1 975 222 222 ALA CB C 17.70 0.02 1 976 222 222 ALA N N 123.78 0.02 1 977 223 223 TRP H H 8.57 0.015 1 978 223 223 TRP C C 177.74 0.02 1 979 223 223 TRP CA C 60.31 0.02 1 980 223 223 TRP CB C 29.82 0.02 1 981 223 223 TRP N N 117.74 0.02 1 982 224 224 PHE H H 8.09 0.015 1 983 224 224 PHE C C 179.45 0.02 1 984 224 224 PHE CA C 61.50 0.02 1 985 224 224 PHE CB C 38.64 0.02 1 986 224 224 PHE N N 115.74 0.02 1 987 225 225 ARG H H 9.23 0.015 1 988 225 225 ARG C C 179.46 0.02 1 989 225 225 ARG CA C 60.88 0.02 1 990 225 225 ARG CB C 29.59 0.02 1 991 225 225 ARG N N 121.11 0.02 1 992 226 226 PHE H H 8.72 0.015 1 993 226 226 PHE C C 176.87 0.02 1 994 226 226 PHE CA C 61.69 0.02 1 995 226 226 PHE CB C 38.55 0.02 1 996 226 226 PHE N N 122.13 0.02 1 997 227 227 GLN H H 8.47 0.015 1 998 227 227 GLN C C 177.88 0.02 1 999 227 227 GLN CA C 57.26 0.02 1 1000 227 227 GLN CB C 29.38 0.02 1 1001 227 227 GLN N N 113.31 0.02 1 1002 228 228 LEU H H 8.63 0.015 1 1003 228 228 LEU C C 177.17 0.02 1 1004 228 228 LEU CA C 54.69 0.02 1 1005 228 228 LEU CB C 41.85 0.02 1 1006 228 228 LEU N N 110.22 0.02 1 1007 229 229 MET H H 7.24 0.015 1 1008 229 229 MET C C 174.47 0.02 1 1009 229 229 MET CA C 54.83 0.02 1 1010 229 229 MET CB C 33.59 0.02 1 1011 229 229 MET N N 114.69 0.02 1 1012 230 230 ASP H H 7.16 0.015 1 1013 230 230 ASP CA C 55.31 0.02 1 1014 230 230 ASP CB C 39.32 0.02 1 1015 230 230 ASP N N 115.73 0.02 1 1016 231 231 ASP H H 7.67 0.015 1 1017 231 231 ASP CA C 54.24 0.02 1 1018 231 231 ASP CB C 42.12 0.02 1 1019 231 231 ASP N N 117.35 0.02 1 1020 232 232 GLN H H 9.05 0.015 1 1021 232 232 GLN C C 178.91 0.02 1 1022 232 232 GLN CA C 57.13 0.02 1 1023 232 232 GLN CB C 27.93 0.02 1 1024 232 232 GLN N N 126.09 0.02 1 1025 233 233 ASP H H 8.81 0.015 1 1026 233 233 ASP C C 178.42 0.02 1 1027 233 233 ASP CA C 56.87 0.02 1 1028 233 233 ASP CB C 39.92 0.02 1 1029 233 233 ASP N N 121.53 0.02 1 1030 234 234 ALA H H 7.80 0.015 1 1031 234 234 ALA CA C 52.63 0.02 1 1032 234 234 ALA CB C 20.53 0.02 1 1033 234 234 ALA N N 121.70 0.02 1 1034 235 235 ARG H H 7.21 0.015 1 1035 235 235 ARG C C 177.51 0.02 1 1036 235 235 ARG CA C 59.93 0.02 1 1037 235 235 ARG CB C 31.20 0.02 1 1038 235 235 ARG N N 118.75 0.02 1 1039 236 236 ALA H H 7.81 0.015 1 1040 236 236 ALA C C 177.36 0.02 1 1041 236 236 ALA CA C 53.92 0.02 1 1042 236 236 ALA CB C 17.61 0.02 1 1043 236 236 ALA N N 118.63 0.02 1 1044 237 237 THR H H 7.46 0.015 1 1045 237 237 THR C C 172.86 0.02 1 1046 237 237 THR CA C 66.08 0.02 1 1047 237 237 THR CB C 68.24 0.02 1 1048 237 237 THR N N 114.89 0.02 1 1049 238 238 PHE H H 6.79 0.015 1 1050 238 238 PHE C C 174.31 0.02 1 1051 238 238 PHE CA C 57.49 0.02 1 1052 238 238 PHE CB C 42.63 0.02 1 1053 238 238 PHE N N 112.34 0.02 1 1054 239 239 TYR H H 7.83 0.015 1 1055 239 239 TYR C C 176.29 0.02 1 1056 239 239 TYR CA C 58.42 0.02 1 1057 239 239 TYR CB C 40.56 0.02 1 1058 239 239 TYR N N 116.52 0.02 1 1059 240 240 GLY H H 8.63 0.015 1 1060 240 240 GLY C C 174.60 0.02 1 1061 240 240 GLY CA C 43.85 0.02 1 1062 240 240 GLY N N 108.92 0.02 1 1063 241 241 ALA H H 8.77 0.015 1 1064 241 241 ALA CA C 54.85 0.02 1 1065 241 241 ALA CB C 18.73 0.02 1 1066 241 241 ALA N N 124.26 0.02 1 1067 242 242 GLN H H 8.40 0.015 1 1068 242 242 GLN C C 175.21 0.02 1 1069 242 242 GLN CA C 53.63 0.02 1 1070 242 242 GLN CB C 27.08 0.02 1 1071 242 242 GLN N N 114.80 0.02 1 1072 243 243 CYS H H 6.71 0.015 1 1073 243 243 CYS C C 177.06 0.02 1 1074 243 243 CYS CA C 57.26 0.02 1 1075 243 243 CYS CB C 41.91 0.02 1 1076 243 243 CYS N N 118.24 0.02 1 1077 244 244 SER H H 8.60 0.015 1 1078 244 244 SER CA C 62.29 0.02 1 1079 244 244 SER CB C 62.21 0.02 1 1080 244 244 SER N N 119.10 0.02 1 1081 245 245 LEU H H 7.36 0.015 1 1082 245 245 LEU CA C 57.22 0.02 1 1083 245 245 LEU CB C 41.59 0.02 1 1084 245 245 LEU N N 118.14 0.02 1 1085 246 246 CYS H H 8.51 0.015 1 1086 246 246 CYS C C 175.08 0.02 1 1087 246 246 CYS CA C 63.06 0.02 1 1088 246 246 CYS CB C 35.29 0.02 1 1089 246 246 CYS N N 115.03 0.02 1 1090 247 247 THR H H 7.32 0.015 1 1091 247 247 THR C C 174.18 0.02 1 1092 247 247 THR CA C 60.50 0.02 1 1093 247 247 THR CB C 69.29 0.02 1 1094 247 247 THR N N 105.66 0.02 1 1095 248 248 SER H H 7.06 0.015 1 1096 248 248 SER C C 176.46 0.02 1 1097 248 248 SER CA C 56.91 0.02 1 1098 248 248 SER CB C 64.00 0.02 1 1099 248 248 SER N N 115.68 0.02 1 1100 249 249 LEU H H 8.90 0.015 1 1101 249 249 LEU C C 177.85 0.02 1 1102 249 249 LEU CA C 56.65 0.02 1 1103 249 249 LEU CB C 41.80 0.02 1 1104 249 249 LEU N N 128.11 0.02 1 1105 250 250 LEU H H 8.20 0.015 1 1106 250 250 LEU C C 174.94 0.02 1 1107 250 250 LEU CA C 54.75 0.02 1 1108 250 250 LEU CB C 42.13 0.02 1 1109 250 250 LEU N N 116.59 0.02 1 1110 251 251 TRP H H 7.56 0.015 1 1111 251 251 TRP C C 175.28 0.02 1 1112 251 251 TRP CA C 55.64 0.02 1 1113 251 251 TRP CB C 32.53 0.02 1 1114 251 251 TRP N N 117.77 0.02 1 1115 252 252 SER H H 9.22 0.015 1 1116 252 252 SER C C 174.62 0.02 1 1117 252 252 SER CA C 56.91 0.02 1 1118 252 252 SER CB C 64.00 0.02 1 1119 252 252 SER N N 116.87 0.02 1 1120 253 253 VAL H H 8.87 0.015 1 1121 253 253 VAL C C 175.16 0.02 1 1122 253 253 VAL CA C 61.27 0.02 1 1123 253 253 VAL CB C 34.97 0.02 1 1124 253 253 VAL N N 128.63 0.02 1 1125 254 254 GLU H H 8.39 0.015 1 1126 254 254 GLU CA C 54.70 0.02 1 1127 254 254 GLU CB C 31.75 0.02 1 1128 254 254 GLU N N 127.28 0.02 1 1129 255 255 ARG H H 8.54 0.015 1 1130 255 255 ARG CA C 54.59 0.02 1 1131 255 255 ARG CB C 35.05 0.02 1 1132 255 255 ARG N N 119.54 0.02 1 1133 256 256 ARG H H 8.97 0.015 1 1134 256 256 ARG C C 175.37 0.02 1 1135 256 256 ARG CA C 56.03 0.02 1 1136 256 256 ARG CB C 32.95 0.02 1 1137 256 256 ARG N N 121.54 0.02 1 1138 257 257 GLY H H 8.75 0.015 1 1139 257 257 GLY C C 172.88 0.02 1 1140 257 257 GLY CA C 45.42 0.02 1 1141 257 257 GLY N N 111.76 0.02 1 1142 258 258 LEU H H 7.38 0.015 1 1143 258 258 LEU CA C 56.67 0.02 1 1144 258 258 LEU CB C 42.66 0.02 1 1145 258 258 LEU N N 124.67 0.02 1 stop_ save_