data_5468 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N and Cb chemical shift assignments for 6-phosphogluconolactonase from Trypanosoma brucei ; _BMRB_accession_number 5468 _BMRB_flat_file_name bmr5468.str _Entry_type original _Submission_date 2002-07-22 _Accession_date 2002-07-22 _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 Miclet Emeric . . 2 Duffieux Francis . . 3 Lallemand Jean-Yves . . 4 Stoven Veronique . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 466 "13C chemical shifts" 748 "15N chemical shifts" 240 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-22 original author 'original release' 2003-01-06 update author 'addition of HA assignment' 2003-03-18 update BMRB 'entry citation updated and temperature values updated to Kelvin' stop_ _Original_release_date 2002-07-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Backbone HN, N, Ca, C', and Cb assignment of the 6-phosphogluconolactonase, a 266-residue enzyme of the pentose-phosphate pathway from human parasite Trypanosoma brucei. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miclet Emeric . . 2 Duffieux Francis . . 3 Lallemand Jean-Yves . . 4 Stoven Veronique . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 25 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 249 _Page_last 250 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_system_6PGL _Saveframe_category molecular_system _Mol_system_name 6-phosphogluconolactonase _Abbreviation_common 6PGL _Enzyme_commission_number 3.1.1.31 loop_ _Mol_system_component_name _Mol_label 6PGL $6PGL stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'other bound and free' loop_ _Biological_function hydrolase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_6PGL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 6-phosphogluconolactonase _Abbreviation_common 6PGL _Molecular_mass 28645 _Mol_thiol_state 'other bound and free' _Details ; The protein contains a Peroxisome-Targeting Signal 1 (PTS1) at the C-terminus (AKF). ; ############################## # Polymer residue sequence # ############################## _Residue_count 266 _Mol_residue_sequence ; MSFKPTISVHATPQELSAAG CRKIVEIIEASGSQQWPLSI ALAGGSTPKMTYARLHDEHL NLLREKRALRFFMGDERMVP ADSTDSNYNMAREVLLHDIP DDLVFPFDTSAVTPSAEATS ADAMRVAEAYGKQLASLLPL KSVGEAGPKVPVFDVVLLGL GSDGHTASIFPGSQAEKETD GKVVVSVGFPSETMKPKVWR VTLSPATIMQARNVIVLATG AEKKWVVDGILADTAHKAPV ARFLRGCEGNVSFLLDKEIA ENLAKF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 PHE 4 LYS 5 PRO 6 THR 7 ILE 8 SER 9 VAL 10 HIS 11 ALA 12 THR 13 PRO 14 GLN 15 GLU 16 LEU 17 SER 18 ALA 19 ALA 20 GLY 21 CYS 22 ARG 23 LYS 24 ILE 25 VAL 26 GLU 27 ILE 28 ILE 29 GLU 30 ALA 31 SER 32 GLY 33 SER 34 GLN 35 GLN 36 TRP 37 PRO 38 LEU 39 SER 40 ILE 41 ALA 42 LEU 43 ALA 44 GLY 45 GLY 46 SER 47 THR 48 PRO 49 LYS 50 MET 51 THR 52 TYR 53 ALA 54 ARG 55 LEU 56 HIS 57 ASP 58 GLU 59 HIS 60 LEU 61 ASN 62 LEU 63 LEU 64 ARG 65 GLU 66 LYS 67 ARG 68 ALA 69 LEU 70 ARG 71 PHE 72 PHE 73 MET 74 GLY 75 ASP 76 GLU 77 ARG 78 MET 79 VAL 80 PRO 81 ALA 82 ASP 83 SER 84 THR 85 ASP 86 SER 87 ASN 88 TYR 89 ASN 90 MET 91 ALA 92 ARG 93 GLU 94 VAL 95 LEU 96 LEU 97 HIS 98 ASP 99 ILE 100 PRO 101 ASP 102 ASP 103 LEU 104 VAL 105 PHE 106 PRO 107 PHE 108 ASP 109 THR 110 SER 111 ALA 112 VAL 113 THR 114 PRO 115 SER 116 ALA 117 GLU 118 ALA 119 THR 120 SER 121 ALA 122 ASP 123 ALA 124 MET 125 ARG 126 VAL 127 ALA 128 GLU 129 ALA 130 TYR 131 GLY 132 LYS 133 GLN 134 LEU 135 ALA 136 SER 137 LEU 138 LEU 139 PRO 140 LEU 141 LYS 142 SER 143 VAL 144 GLY 145 GLU 146 ALA 147 GLY 148 PRO 149 LYS 150 VAL 151 PRO 152 VAL 153 PHE 154 ASP 155 VAL 156 VAL 157 LEU 158 LEU 159 GLY 160 LEU 161 GLY 162 SER 163 ASP 164 GLY 165 HIS 166 THR 167 ALA 168 SER 169 ILE 170 PHE 171 PRO 172 GLY 173 SER 174 GLN 175 ALA 176 GLU 177 LYS 178 GLU 179 THR 180 ASP 181 GLY 182 LYS 183 VAL 184 VAL 185 VAL 186 SER 187 VAL 188 GLY 189 PHE 190 PRO 191 SER 192 GLU 193 THR 194 MET 195 LYS 196 PRO 197 LYS 198 VAL 199 TRP 200 ARG 201 VAL 202 THR 203 LEU 204 SER 205 PRO 206 ALA 207 THR 208 ILE 209 MET 210 GLN 211 ALA 212 ARG 213 ASN 214 VAL 215 ILE 216 VAL 217 LEU 218 ALA 219 THR 220 GLY 221 ALA 222 GLU 223 LYS 224 LYS 225 TRP 226 VAL 227 VAL 228 ASP 229 GLY 230 ILE 231 LEU 232 ALA 233 ASP 234 THR 235 ALA 236 HIS 237 LYS 238 ALA 239 PRO 240 VAL 241 ALA 242 ARG 243 PHE 244 LEU 245 ARG 246 GLY 247 CYS 248 GLU 249 GLY 250 ASN 251 VAL 252 SER 253 PHE 254 LEU 255 LEU 256 ASP 257 LYS 258 GLU 259 ILE 260 ALA 261 GLU 262 ASN 263 LEU 264 ALA 265 LYS 266 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $6PGL 'African trypanosome' 5702 Eukaryota . Trypanosoma brucei 427 pgl stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $6PGL 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3)pLysS plamid . 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 $6PGL 1.4 mM '[U-100% 15N; U-100% 13C; U-80% 2H]' 'Na phosphate buffer' 50 mM . NaCl 200 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $6PGL 1.4 mM '[U-100% 15N; U-100% 13C]' 'Na phosphate buffer' 50 mM . NaCl 200 mM . stop_ save_ ############################ # Computer software used # ############################ save_Gifa _Saveframe_category software _Name Gifa _Version 4.3 loop_ _Task 'Fourrier Transform' 'NMR data processing' apodization 'linear prediction' phasing stop_ _Details . save_ save_xeasy _Saveframe_category software _Name xeasy _Version 1.3 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1N-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1N-15N HSQC' _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label . save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ save_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_CBCACOHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACOHA _Sample_label . save_ ####################### # Sample conditions # ####################### save_Experiment-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.25 0.01 M pH 6.0 0.1 n/a temperature 298 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1N-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Experiment-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 6PGL _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET C C 175.0 0.10 1 2 . 1 MET CA C 58.070 0.10 1 3 . 2 SER H H 8.13 0.03 1 4 . 2 SER CA C 62.430 0.10 1 5 . 2 SER N N 120.978 0.15 1 6 . 5 PRO HA H 4.57 0.03 1 7 . 5 PRO C C 176.18 0.10 1 8 . 5 PRO CA C 62.434 0.10 1 9 . 5 PRO CB C 32.002 0.10 1 10 . 6 THR H H 8.373 0.03 1 11 . 6 THR HA H 4.44 0.03 1 12 . 6 THR C C 174.076 0.10 1 13 . 6 THR CA C 62.931 0.10 1 14 . 6 THR CB C 69.403 0.10 1 15 . 6 THR N N 114.608 0.15 1 16 . 7 ILE H H 8.842 0.03 1 17 . 7 ILE HA H 4.95 0.03 1 18 . 7 ILE C C 175.078 0.10 1 19 . 7 ILE CA C 60.677 0.10 1 20 . 7 ILE CB C 40.001 0.10 1 21 . 7 ILE N N 127.654 0.15 1 22 . 8 SER H H 9.014 0.03 1 23 . 8 SER HA H 4.52 0.03 1 24 . 8 SER C C 171.41 0.10 1 25 . 8 SER CA C 57.285 0.10 1 26 . 8 SER CB C 65.27 0.10 1 27 . 8 SER N N 122.48 0.15 1 28 . 9 VAL H H 7.979 0.03 1 29 . 9 VAL HA H 4.45 0.03 1 30 . 9 VAL C C 174.945 0.10 1 31 . 9 VAL CA C 61.237 0.10 1 32 . 9 VAL CB C 33.229 0.10 1 33 . 9 VAL N N 121.806 0.15 1 34 . 10 HIS H H 8.758 0.03 1 35 . 10 HIS HA H 4.68 0.03 1 36 . 10 HIS C C 175.361 0.10 1 37 . 10 HIS CA C 55.211 0.10 1 38 . 10 HIS CB C 32.872 0.10 1 39 . 10 HIS N N 124.955 0.15 1 40 . 11 ALA H H 8.903 0.03 1 41 . 11 ALA HA H 4.13 0.03 1 42 . 11 ALA C C 178.027 0.10 1 43 . 11 ALA CA C 55.604 0.10 1 44 . 11 ALA CB C 19.705 0.10 1 45 . 11 ALA N N 121.581 0.15 1 46 . 12 THR H H 7.207 0.03 1 47 . 12 THR HA H 5.19 0.03 1 48 . 12 THR C C 173.716 0.10 1 49 . 12 THR CA C 58.07 0.10 1 50 . 12 THR CB C 71.129 0.10 1 51 . 12 THR N N 102.615 0.15 1 52 . 13 PRO HA H 4.4 0.03 1 53 . 13 PRO C C 177.59 0.10 1 54 . 13 PRO CA C 65.105 0.10 1 55 . 13 PRO CB C 31.94 0.10 1 56 . 14 GLN H H 8.549 0.03 1 57 . 14 GLN HA H 3.98 0.03 1 58 . 14 GLN C C 179.112 0.10 1 59 . 14 GLN CA C 60.096 0.10 1 60 . 14 GLN CB C 27.135 0.10 1 61 . 14 GLN N N 116.857 0.15 1 62 . 15 GLU H H 7.945 0.03 1 63 . 15 GLU HA H 4.32 0.03 1 64 . 15 GLU C C 178.973 0.10 1 65 . 15 GLU CA C 59.179 0.10 1 66 . 15 GLU CB C 30.497 0.10 1 67 . 15 GLU N N 120.146 0.15 1 68 . 16 LEU H H 8.182 0.03 1 69 . 16 LEU HA H 3.29 0.03 1 70 . 16 LEU C C 178.538 0.10 1 71 . 16 LEU CA C 59.135 0.10 1 72 . 16 LEU CB C 42.835 0.10 1 73 . 16 LEU N N 122.256 0.15 1 74 . 17 SER H H 8.408 0.03 1 75 . 17 SER HA H 4.1 0.03 1 76 . 17 SER C C 177.366 0.10 1 77 . 17 SER CA C 61.237 0.10 1 78 . 17 SER CB C 63.171 0.10 1 79 . 17 SER N N 113.708 0.15 1 80 . 18 ALA H H 7.601 0.03 1 81 . 18 ALA HA H 4.17 0.03 1 82 . 18 ALA C C 178.973 0.10 1 83 . 18 ALA CA C 55.633 0.10 1 84 . 18 ALA CB C 17.27 0.10 1 85 . 18 ALA N N 125.56 0.15 1 86 . 19 ALA H H 7.869 0.03 1 87 . 19 ALA HA H 3.97 0.03 1 88 . 19 ALA C C 180.996 0.10 1 89 . 19 ALA CA C 54.903 0.10 1 90 . 19 ALA CB C 18.099 0.10 1 91 . 19 ALA N N 120.906 0.15 1 92 . 20 GLY H H 8.7 0.03 1 93 . 20 GLY HA2 H 3.3 0.03 1 94 . 20 GLY HA3 H 3.3 0.03 1 95 . 20 GLY C C 173.603 0.10 1 96 . 20 GLY CA C 47.28 0.10 1 97 . 20 GLY N N 107.255 0.15 1 98 . 21 CYS H H 7.807 0.03 1 99 . 21 CYS C C 174.794 0.10 1 100 . 21 CYS CA C 60.004 0.10 1 101 . 21 CYS CB C 39.141 0.10 1 102 . 21 CYS N N 119.63 0.15 1 103 . 22 ARG H H 8.551 0.03 1 104 . 22 ARG HA H 3.781 0.03 1 105 . 22 ARG C C 178.216 0.10 1 106 . 22 ARG CA C 59.752 0.10 1 107 . 22 ARG CB C 29.624 0.10 1 108 . 22 ARG N N 118.432 0.15 1 109 . 23 LYS H H 8.065 0.03 1 110 . 23 LYS HA H 4.08 0.03 1 111 . 23 LYS C C 178.046 0.10 1 112 . 23 LYS CA C 57.874 0.10 1 113 . 23 LYS CB C 30.868 0.10 1 114 . 23 LYS N N 117.825 0.15 1 115 . 24 ILE H H 7.397 0.03 1 116 . 24 ILE HA H 3.35 0.03 1 117 . 24 ILE C C 177.25 0.10 1 118 . 24 ILE CA C 66.314 0.10 1 119 . 24 ILE CB C 37.848 0.10 1 120 . 24 ILE N N 116.736 0.15 1 121 . 25 VAL H H 7.935 0.03 1 122 . 25 VAL C C 177.328 0.10 1 123 . 25 VAL CA C 67.03 0.10 1 124 . 25 VAL CB C 32.654 0.10 1 125 . 25 VAL N N 118.035 0.15 1 126 . 26 GLU H H 8.584 0.03 1 127 . 26 GLU HA H 3.98 0.03 1 128 . 26 GLU C C 180.04 0.10 1 129 . 26 GLU CA C 59.582 0.10 1 130 . 26 GLU CB C 29.208 0.10 1 131 . 26 GLU N N 119.448 0.15 1 132 . 27 ILE H H 7.665 0.03 1 133 . 27 ILE HA H 3.68 0.03 1 134 . 27 ILE C C 179.183 0.10 1 135 . 27 ILE CA C 65.529 0.10 1 136 . 27 ILE CB C 38.119 0.10 1 137 . 27 ILE N N 120.088 0.15 1 138 . 28 ILE H H 8.021 0.03 1 139 . 28 ILE HA H 3.5 0.03 1 140 . 28 ILE C C 179.349 0.10 1 141 . 28 ILE CA C 66.322 0.10 1 142 . 28 ILE CB C 38.227 0.10 1 143 . 28 ILE N N 121.177 0.15 1 144 . 29 GLU H H 8.814 0.03 1 145 . 29 GLU C C 178.969 0.10 1 146 . 29 GLU CA C 59.5 0.10 1 147 . 29 GLU CB C 29.572 0.10 1 148 . 29 GLU N N 117.252 0.15 1 149 . 30 ALA H H 8.302 0.03 1 150 . 30 ALA HA H 4.22 0.03 1 151 . 30 ALA C C 179.805 0.10 1 152 . 30 ALA CA C 54.123 0.10 1 153 . 30 ALA CB C 18.153 0.10 1 154 . 30 ALA N N 120.006 0.15 1 155 . 31 SER H H 7.835 0.03 1 156 . 31 SER HA H 4.31 0.03 1 157 . 31 SER C C 175.02 0.10 1 158 . 31 SER CA C 61.489 0.10 1 159 . 31 SER CB C 64.658 0.10 1 160 . 31 SER N N 112.808 0.15 1 161 . 32 GLY H H 7.523 0.03 1 162 . 32 GLY HA2 H 3.68 0.03 2 163 . 32 GLY HA3 H 4.10 0.03 2 164 . 32 GLY C C 173.248 0.10 1 165 . 32 GLY CA C 44.711 0.10 1 166 . 32 GLY N N 106.05 0.15 1 167 . 33 SER H H 7.807 0.03 1 168 . 33 SER C C 176.7 0.10 1 169 . 33 SER CA C 59.95 0.10 1 170 . 33 SER CB C 61.875 0.10 1 171 . 33 SER N N 113.708 0.15 1 172 . 34 GLN H H 8.374 0.03 1 173 . 34 GLN HA H 4.09 0.03 1 174 . 34 GLN C C 176.829 0.10 1 175 . 34 GLN CA C 57.776 0.10 1 176 . 34 GLN CB C 27.514 0.10 1 177 . 34 GLN N N 120.006 0.15 1 178 . 35 GLN H H 7.716 0.03 1 179 . 35 GLN HA H 4.37 0.03 1 180 . 35 GLN C C 175.046 0.10 1 181 . 35 GLN CA C 55.432 0.10 1 182 . 35 GLN CB C 29.678 0.10 1 183 . 35 GLN N N 115.189 0.15 1 184 . 36 TRP H H 7.11 0.03 1 185 . 36 TRP C C 175.523 0.10 1 186 . 36 TRP CA C 54.172 0.10 1 187 . 36 TRP CB C 28.217 0.10 1 188 . 36 TRP N N 119.314 0.15 1 189 . 37 PRO HA H 4.6 0.03 1 190 . 37 PRO C C 177.828 0.10 1 191 . 37 PRO CA C 61.875 0.10 1 192 . 37 PRO CB C 33.12 0.10 1 193 . 38 LEU H H 9.082 0.03 1 194 . 38 LEU C C 175.956 0.10 1 195 . 38 LEU CA C 54.09 0.10 1 196 . 38 LEU CB C 41.545 0.10 1 197 . 38 LEU N N 124.505 0.15 1 198 . 39 SER H H 10.291 0.03 1 199 . 39 SER HA H 5.3 0.03 1 200 . 39 SER C C 173.981 0.10 1 201 . 39 SER CA C 57.454 0.10 1 202 . 39 SER CB C 65.818 0.10 1 203 . 39 SER N N 116.279 0.15 1 204 . 40 ILE H H 8.964 0.03 1 205 . 40 ILE C C 171.823 0.10 1 206 . 40 ILE CA C 56.865 0.10 1 207 . 40 ILE CB C 42.061 0.10 1 208 . 40 ILE N N 120.919 0.15 1 209 . 41 ALA H H 8.338 0.03 1 210 . 41 ALA HA H 4.7 0.03 1 211 . 41 ALA C C 176.302 0.10 1 212 . 41 ALA CA C 49.298 0.10 1 213 . 41 ALA CB C 18.463 0.10 1 214 . 41 ALA N N 127.365 0.15 1 215 . 42 LEU H H 9.186 0.03 1 216 . 42 LEU HA H 4.2 0.03 1 217 . 42 LEU C C 176.893 0.10 1 218 . 42 LEU CA C 55.852 0.10 1 219 . 42 LEU CB C 41.781 0.10 1 220 . 42 LEU N N 120.146 0.15 1 221 . 43 ALA H H 6.786 0.03 1 222 . 43 ALA HA H 5.06 0.03 1 223 . 43 ALA C C 179.255 0.10 1 224 . 43 ALA CA C 50.892 0.10 1 225 . 43 ALA CB C 21.946 0.10 1 226 . 43 ALA N N 121.806 0.15 1 227 . 44 GLY H H 9.387 0.03 1 228 . 44 GLY HA2 H 4.31 0.03 2 229 . 44 GLY HA3 H 4.15 0.03 2 230 . 44 GLY C C 172.922 0.10 1 231 . 44 GLY CA C 43.3 0.10 1 232 . 44 GLY N N 108.984 0.15 1 233 . 45 GLY H H 7.759 0.03 1 234 . 45 GLY HA2 H 3.94 0.03 1 235 . 45 GLY HA3 H 3.94 0.03 1 236 . 45 GLY C C 174.633 0.10 1 237 . 45 GLY CA C 44.085 0.10 1 238 . 45 GLY N N 103.646 0.15 1 239 . 46 SER H H 8.577 0.03 1 240 . 46 SER CA C 62.011 0.10 1 241 . 46 SER CB C 62.561 0.10 1 242 . 46 SER N N 114.383 0.15 1 243 . 47 THR C C 174.8 0.10 1 244 . 47 THR CA C 62.6 0.10 1 245 . 47 THR CB C 69.3 0.10 1 246 . 48 PRO HA H 4.4 0.03 1 247 . 48 PRO C C 174.65 0.10 1 248 . 48 PRO CA C 62.43 0.10 1 249 . 49 LYS H H 7.39 0.03 1 250 . 49 LYS C C 174.5 0.10 1 251 . 49 LYS CA C 54.17 0.10 1 252 . 49 LYS CB C 34.05 0.10 1 253 . 49 LYS N N 120.2 0.15 1 254 . 51 THR HA H 4.2 0.03 1 255 . 51 THR CA C 60.074 0.10 1 256 . 51 THR CB C 63.73 0.10 1 257 . 52 TYR H H 8.749 0.03 1 258 . 52 TYR C C 175.86 0.10 1 259 . 52 TYR CA C 57.339 0.10 1 260 . 52 TYR CB C 29.642 0.10 1 261 . 52 TYR N N 117.532 0.15 1 262 . 53 ALA H H 8.222 0.03 1 263 . 53 ALA HA H 4.14 0.03 1 264 . 53 ALA C C 179.54 0.10 1 265 . 53 ALA CA C 55.403 0.10 1 266 . 53 ALA CB C 17.966 0.10 1 267 . 53 ALA N N 120.919 0.15 1 268 . 54 ARG H H 7.547 0.03 1 269 . 54 ARG HA H 3.95 0.03 1 270 . 54 ARG C C 178.63 0.10 1 271 . 54 ARG CA C 58.967 0.10 1 272 . 54 ARG CB C 29.704 0.10 1 273 . 54 ARG N N 115.705 0.15 1 274 . 55 LEU H H 8.169 0.03 1 275 . 55 LEU HA H 4.03 0.03 1 276 . 55 LEU C C 178.137 0.10 1 277 . 55 LEU CA C 58.799 0.10 1 278 . 55 LEU CB C 42.126 0.10 1 279 . 55 LEU N N 118.614 0.15 1 280 . 56 HIS H H 8.49 0.03 1 281 . 56 HIS CA C 60.7 0.10 1 282 . 56 HIS CB C 26.7 0.10 1 283 . 56 HIS N N 114.25 0.15 1 284 . 57 ASP H H 8.65 0.03 1 285 . 57 ASP C C 178.48 0.10 1 286 . 57 ASP CA C 56.7 0.10 1 287 . 57 ASP CB C 40.2 0.10 1 288 . 57 ASP N N 114.79 0.15 1 289 . 58 GLU H H 8.22 0.03 1 290 . 58 GLU CA C 57.2 0.03 1 291 . 58 GLU CB C 31.32 0.10 1 292 . 58 GLU N N 114.27 0.15 1 293 . 59 HIS H H 7.65 0.03 1 294 . 59 HIS C C 175.47 0.10 1 295 . 59 HIS CA C 55.35 0.10 1 296 . 59 HIS CB C 30.003 0.10 1 297 . 59 HIS N N 114.79 0.15 1 298 . 60 LEU H H 7.5 0.03 1 299 . 60 LEU C C 178.85 0.10 1 300 . 60 LEU CA C 58.5 0.10 1 301 . 60 LEU CB C 39.6 0.10 1 302 . 60 LEU N N 119.94 0.15 1 303 . 61 ASN CB C 57.35 0.10 1 304 . 62 LEU H H 7.486 0.03 1 305 . 62 LEU C C 175.651 0.10 1 306 . 62 LEU CA C 57.15 0.10 1 307 . 62 LEU CB C 42.447 0.10 1 308 . 62 LEU N N 120.681 0.15 1 309 . 63 LEU H H 7.277 0.03 1 310 . 63 LEU HA H 4.463 0.03 1 311 . 63 LEU C C 178.522 0.10 1 312 . 63 LEU CA C 55.576 0.10 1 313 . 63 LEU CB C 42.069 0.10 1 314 . 63 LEU N N 112.411 0.15 1 315 . 64 ARG H H 9.094 0.03 1 316 . 64 ARG HA H 4.27 0.03 1 317 . 64 ARG C C 175.549 0.10 1 318 . 64 ARG CA C 58.491 0.10 1 319 . 64 ARG CB C 30.929 0.10 1 320 . 64 ARG N N 116.632 0.15 1 321 . 65 GLU H H 8.053 0.03 1 322 . 65 GLU HA H 4.037 0.03 1 323 . 65 GLU C C 178.949 0.10 1 324 . 65 GLU CA C 59.051 0.10 1 325 . 65 GLU CB C 29.301 0.10 1 326 . 65 GLU N N 116.407 0.15 1 327 . 66 LYS H H 7.833 0.03 1 328 . 66 LYS HA H 4.35 0.03 1 329 . 66 LYS C C 175.854 0.10 1 330 . 66 LYS CA C 56.697 0.10 1 331 . 66 LYS CB C 31.294 0.10 1 332 . 66 LYS N N 113.258 0.15 1 333 . 67 ARG H H 6.479 0.03 1 334 . 67 ARG HA H 3.68 0.03 1 335 . 67 ARG C C 175.475 0.10 1 336 . 67 ARG CA C 56.849 0.10 1 337 . 67 ARG CB C 27.022 0.10 1 338 . 67 ARG N N 109.209 0.15 1 339 . 68 ALA H H 7.239 0.03 1 340 . 68 ALA HA H 3.408 0.03 1 341 . 68 ALA C C 176.874 0.10 1 342 . 68 ALA CA C 55.295 0.10 1 343 . 68 ALA CB C 19.457 0.10 1 344 . 68 ALA N N 115.057 0.15 1 345 . 69 LEU H H 8.331 0.03 1 346 . 69 LEU HA H 5.0 0.03 1 347 . 69 LEU C C 174.964 0.10 1 348 . 69 LEU CA C 52.801 0.10 1 349 . 69 LEU CB C 44.921 0.10 1 350 . 69 LEU N N 111.896 0.15 1 351 . 70 ARG H H 8.844 0.03 1 352 . 70 ARG HA H 4.78 0.03 1 353 . 70 ARG C C 174.34 0.10 1 354 . 70 ARG CA C 54.966 0.10 1 355 . 70 ARG CB C 32.625 0.10 1 356 . 70 ARG N N 117.825 0.15 1 357 . 71 PHE H H 9.27 0.03 1 358 . 71 PHE HA H 4.87 0.03 1 359 . 71 PHE C C 173.017 0.10 1 360 . 71 PHE CA C 59.107 0.10 1 361 . 71 PHE CB C 41.416 0.10 1 362 . 71 PHE N N 120.919 0.15 1 363 . 72 PHE H H 9.409 0.03 1 364 . 72 PHE HA H 5.05 0.03 1 365 . 72 PHE C C 174.156 0.10 1 366 . 72 PHE CA C 55.66 0.10 1 367 . 72 PHE CB C 40.821 0.10 1 368 . 72 PHE N N 120.346 0.15 1 369 . 73 MET H H 8.445 0.03 1 370 . 73 MET HA H 4.44 0.03 1 371 . 73 MET C C 174.771 0.10 1 372 . 73 MET CA C 52.241 0.10 1 373 . 73 MET CB C 31.339 0.10 1 374 . 73 MET N N 117.31 0.15 1 375 . 74 GLY H H 9.175 0.03 1 376 . 74 GLY HA2 H 4.80 0.03 1 377 . 74 GLY HA3 H 4.80 0.03 1 378 . 74 GLY C C 172.956 0.10 1 379 . 74 GLY CA C 45.064 0.10 1 380 . 74 GLY N N 105.16 0.15 1 381 . 75 ASP H H 7.78 0.03 1 382 . 75 ASP HA H 5.587 0.03 1 383 . 75 ASP C C 172.898 0.10 1 384 . 75 ASP CA C 53.782 0.10 1 385 . 75 ASP CB C 43.356 0.10 1 386 . 75 ASP N N 111.638 0.15 1 387 . 76 GLU H H 8.662 0.03 1 388 . 76 GLU C C 173.366 0.10 1 389 . 76 GLU CA C 54.847 0.10 1 390 . 76 GLU CB C 34.456 0.10 1 391 . 76 GLU N N 116.407 0.15 1 392 . 77 ARG H H 11.409 0.03 1 393 . 77 ARG C C 176.79 0.10 1 394 . 77 ARG CA C 57.313 0.10 1 395 . 77 ARG CB C 32.133 0.10 1 396 . 77 ARG N N 128.329 0.15 1 397 . 78 MET H H 8.292 0.03 1 398 . 78 MET HA H 4.46 0.03 1 399 . 78 MET C C 172.952 0.10 1 400 . 78 MET CA C 53.081 0.10 1 401 . 78 MET CB C 28.217 0.10 1 402 . 78 MET N N 120.231 0.15 1 403 . 79 VAL H H 8.268 0.03 1 404 . 79 VAL HA H 4.75 0.03 1 405 . 79 VAL C C 172.929 0.10 1 406 . 79 VAL CA C 58.154 0.10 1 407 . 79 VAL CB C 32.394 0.10 1 408 . 79 VAL N N 115.705 0.15 1 409 . 80 PRO HA H 4.35 0.03 1 410 . 80 PRO C C 176.92 0.10 1 411 . 80 PRO CA C 62.993 0.10 1 412 . 80 PRO CB C 32.189 0.10 1 413 . 81 ALA H H 8.645 0.03 1 414 . 81 ALA HA H 4.25 0.03 1 415 . 81 ALA C C 176.761 0.10 1 416 . 81 ALA CA C 54.371 0.10 1 417 . 81 ALA CB C 18.478 0.10 1 418 . 81 ALA N N 121.693 0.15 1 419 . 82 ASP H H 7.848 0.03 1 420 . 82 ASP HA H 4.559 0.03 1 421 . 82 ASP C C 176.293 0.10 1 422 . 82 ASP CA C 52.773 0.10 1 423 . 82 ASP CB C 40.047 0.10 1 424 . 82 ASP N N 110.784 0.15 1 425 . 83 SER H H 7.765 0.03 1 426 . 83 SER HA H 4.43 0.03 1 427 . 83 SER C C 177.171 0.10 1 428 . 83 SER CA C 57.669 0.10 1 429 . 83 SER CB C 63.913 0.10 1 430 . 83 SER N N 113.443 0.15 1 431 . 84 THR H H 8.574 0.03 1 432 . 84 THR HA H 4.3 0.03 1 433 . 84 THR C C 175.949 0.10 1 434 . 84 THR CA C 64.628 0.10 1 435 . 84 THR CB C 68.1 0.10 1 436 . 84 THR N N 118.432 0.15 1 437 . 85 ASP H H 8.441 0.03 1 438 . 85 ASP HA H 4.75 0.03 1 439 . 85 ASP C C 175.04 0.10 1 440 . 85 ASP CA C 54.86 0.10 1 441 . 85 ASP CB C 41.868 0.10 1 442 . 85 ASP N N 118.341 0.15 1 443 . 86 SER H H 7.328 0.03 1 444 . 86 SER HA H 4.5 0.03 1 445 . 86 SER C C 177.309 0.10 1 446 . 86 SER CA C 57.037 0.10 1 447 . 86 SER CB C 63.594 0.10 1 448 . 86 SER N N 113.958 0.15 1 449 . 87 ASN H H 12.675 0.03 1 450 . 87 ASN HA H 4.67 0.03 1 451 . 87 ASN C C 178.67 0.10 1 452 . 87 ASN CA C 56.23 0.10 1 453 . 87 ASN CB C 37.169 0.10 1 454 . 87 ASN N N 136.5 0.15 1 455 . 88 TYR H H 10.352 0.03 1 456 . 88 TYR HA H 4.261 0.03 1 457 . 88 TYR C C 176.779 0.10 1 458 . 88 TYR CA C 61.31 0.10 1 459 . 88 TYR CB C 38.386 0.10 1 460 . 88 TYR N N 125.502 0.15 1 461 . 89 ASN H H 7.833 0.03 1 462 . 89 ASN HA H 3.888 0.03 1 463 . 89 ASN C C 177.592 0.10 1 464 . 89 ASN CA C 57.313 0.10 1 465 . 89 ASN CB C 39.882 0.10 1 466 . 89 ASN N N 116.632 0.15 1 467 . 90 MET H H 7.415 0.03 1 468 . 90 MET HA H 4.074 0.03 1 469 . 90 MET C C 177.952 0.10 1 470 . 90 MET CA C 59.191 0.10 1 471 . 90 MET CB C 31.085 0.10 1 472 . 90 MET N N 117.825 0.15 1 473 . 91 ALA H H 8.281 0.03 1 474 . 91 ALA HA H 3.9 0.03 1 475 . 91 ALA C C 181.28 0.10 1 476 . 91 ALA CA C 54.735 0.10 1 477 . 91 ALA CB C 16.9 0.10 1 478 . 91 ALA N N 120.231 0.15 1 479 . 92 ARG H H 9.433 0.03 1 480 . 92 ARG C C 177.223 0.10 1 481 . 92 ARG CA C 59.836 0.10 1 482 . 92 ARG CB C 28.587 0.10 1 483 . 92 ARG N N 121.806 0.15 1 484 . 93 GLU H H 7.916 0.03 1 485 . 93 GLU HA H 3.73 0.03 1 486 . 93 GLU C C 178.0 0.10 1 487 . 93 GLU CA C 59.752 0.10 1 488 . 93 GLU CB C 29.516 0.10 1 489 . 93 GLU N N 118.881 0.15 1 490 . 94 VAL H H 7.015 0.03 1 491 . 94 VAL HA H 4.29 0.03 1 492 . 94 VAL C C 175.267 0.10 1 493 . 94 VAL CA C 61.489 0.10 1 494 . 94 VAL CB C 33.081 0.10 1 495 . 94 VAL N N 104.26 0.15 1 496 . 95 LEU H H 7.5 0.03 1 497 . 95 LEU C C 175.135 0.10 1 498 . 95 LEU CA C 57.678 0.10 1 499 . 95 LEU CB C 44.514 0.10 1 500 . 95 LEU N N 117.532 0.15 1 501 . 96 LEU H H 8.379 0.03 1 502 . 96 LEU HA H 3.93 0.03 1 503 . 96 LEU C C 177.668 0.10 1 504 . 96 LEU CA C 56.949 0.10 1 505 . 96 LEU CB C 40.453 0.10 1 506 . 96 LEU N N 112.358 0.15 1 507 . 97 HIS H H 8.663 0.03 1 508 . 97 HIS HA H 4.5 0.03 1 509 . 97 HIS C C 174.945 0.10 1 510 . 97 HIS CA C 58.118 0.10 1 511 . 97 HIS CB C 26.81 0.10 1 512 . 97 HIS N N 114.383 0.15 1 513 . 98 ASP H H 6.727 0.03 1 514 . 98 ASP C C 174.321 0.10 1 515 . 98 ASP CA C 53.446 0.10 1 516 . 98 ASP CB C 43.205 0.10 1 517 . 98 ASP N N 116.407 0.15 1 518 . 99 ILE H H 7.442 0.03 1 519 . 99 ILE C C 173.981 0.10 1 520 . 99 ILE CA C 54.847 0.10 1 521 . 99 ILE CB C 36.903 0.10 1 522 . 99 ILE N N 120.681 0.15 1 523 . 100 PRO HA H 4.44 0.03 1 524 . 100 PRO C C 177.138 0.10 1 525 . 100 PRO CA C 63.925 0.10 1 526 . 100 PRO CB C 32.127 0.10 1 527 . 101 ASP H H 8.369 0.03 1 528 . 101 ASP HA H 4.1 0.03 1 529 . 101 ASP C C 177.158 0.10 1 530 . 101 ASP CA C 57.622 0.10 1 531 . 101 ASP CB C 40.967 0.10 1 532 . 101 ASP N N 120.661 0.15 1 533 . 102 ASP H H 8.39 0.03 1 534 . 102 ASP HA H 4.314 0.03 1 535 . 102 ASP C C 175.437 0.10 1 536 . 102 ASP CA C 54.567 0.10 1 537 . 102 ASP CB C 38.856 0.10 1 538 . 102 ASP N N 113.258 0.15 1 539 . 103 LEU H H 7.862 0.03 1 540 . 103 LEU HA H 4.65 0.03 1 541 . 103 LEU C C 174.567 0.10 1 542 . 103 LEU CA C 54.118 0.10 1 543 . 103 LEU CB C 41.985 0.10 1 544 . 103 LEU N N 116.407 0.15 1 545 . 104 VAL H H 7.006 0.03 1 546 . 104 VAL HA H 4.46 0.03 1 547 . 104 VAL C C 174.132 0.10 1 548 . 104 VAL CA C 62.655 0.10 1 549 . 104 VAL CB C 33.859 0.10 1 550 . 104 VAL N N 118.432 0.15 1 551 . 105 PHE H H 8.607 0.03 1 552 . 105 PHE HA H 4.48 0.03 1 553 . 105 PHE C C 172.809 0.10 1 554 . 105 PHE CA C 55.604 0.10 1 555 . 105 PHE CB C 40.191 0.10 1 556 . 105 PHE N N 123.755 0.15 1 557 . 106 PRO HA H 3.9 0.03 1 558 . 106 PRO C C 178.47 0.10 1 559 . 106 PRO CA C 61.875 0.10 1 560 . 106 PRO CB C 30.822 0.10 1 561 . 107 PHE H H 8.14 0.03 1 562 . 107 PHE HA H 4.0 0.03 1 563 . 107 PHE C C 176.401 0.10 1 564 . 107 PHE CA C 59.64 0.10 1 565 . 107 PHE CB C 39.231 0.10 1 566 . 107 PHE N N 116.407 0.15 1 567 . 108 ASP H H 9.05 0.03 1 568 . 108 ASP HA H 4.958 0.03 1 569 . 108 ASP C C 176.666 0.10 1 570 . 108 ASP CA C 53.165 0.10 1 571 . 108 ASP CB C 39.448 0.10 1 572 . 108 ASP N N 118.881 0.15 1 573 . 109 THR H H 8.048 0.03 1 574 . 109 THR HA H 4.3 0.03 1 575 . 109 THR C C 175.872 0.10 1 576 . 109 THR CA C 60.817 0.10 1 577 . 109 THR CB C 68.01 0.10 1 578 . 109 THR N N 114.216 0.15 1 579 . 110 SER H H 8.328 0.03 1 580 . 110 SER HA H 4.41 0.03 1 581 . 110 SER C C 175.04 0.10 1 582 . 110 SER CA C 61.953 0.10 1 583 . 110 SER CB C 63.076 0.10 1 584 . 110 SER N N 116.794 0.15 1 585 . 111 ALA H H 8.399 0.03 1 586 . 111 ALA HA H 4.372 0.03 1 587 . 111 ALA C C 177.762 0.10 1 588 . 111 ALA CA C 52.437 0.10 1 589 . 111 ALA CB C 18.339 0.10 1 590 . 111 ALA N N 122.256 0.15 1 591 . 112 VAL H H 7.751 0.03 1 592 . 112 VAL HA H 3.978 0.03 1 593 . 112 VAL C C 175.439 0.10 1 594 . 112 VAL CA C 62.919 0.10 1 595 . 112 VAL CB C 31.037 0.10 1 596 . 112 VAL N N 119.057 0.15 1 597 . 113 THR H H 8.523 0.03 1 598 . 113 THR HA H 4.95 0.03 1 599 . 113 THR C C 173.786 0.10 1 600 . 113 THR CA C 59.191 0.10 1 601 . 113 THR CB C 69.433 0.10 1 602 . 113 THR N N 119.106 0.15 1 603 . 114 PRO HA H 4.41 0.03 1 604 . 114 PRO C C 177.3 0.10 1 605 . 114 PRO CA C 59.391 0.10 1 606 . 114 PRO CB C 31.816 0.10 1 607 . 115 SER H H 7.844 0.03 1 608 . 115 SER HA H 4.34 0.03 1 609 . 115 SER C C 173.453 0.10 1 610 . 115 SER CA C 59.258 0.10 1 611 . 115 SER CB C 63.712 0.10 1 612 . 115 SER N N 110.109 0.15 1 613 . 116 ALA H H 7.61 0.03 1 614 . 116 ALA HA H 4.54 0.03 1 615 . 116 ALA C C 176.174 0.10 1 616 . 116 ALA CA C 51.876 0.10 1 617 . 116 ALA CB C 20.592 0.10 1 618 . 116 ALA N N 122.982 0.15 1 619 . 117 GLU H H 8.454 0.03 1 620 . 117 GLU HA H 4.383 0.03 1 621 . 117 GLU C C 176.723 0.10 1 622 . 117 GLU CA C 56.304 0.10 1 623 . 117 GLU CB C 30.278 0.10 1 624 . 117 GLU N N 120.146 0.15 1 625 . 118 ALA H H 8.878 0.03 1 626 . 118 ALA HA H 4.61 0.03 1 627 . 118 ALA C C 178.141 0.10 1 628 . 118 ALA CA C 52.234 0.10 1 629 . 118 ALA CB C 19.767 0.10 1 630 . 118 ALA N N 125.302 0.15 1 631 . 119 THR H H 9.084 0.03 1 632 . 119 THR HA H 4.53 0.03 1 633 . 119 THR C C 175.324 0.10 1 634 . 119 THR CA C 60.057 0.10 1 635 . 119 THR CB C 72.49 0.10 1 636 . 119 THR N N 112.154 0.15 1 637 . 120 SER H H 8.119 0.03 1 638 . 120 SER HA H 3.98 0.03 1 639 . 120 SER C C 176.206 0.10 1 640 . 120 SER CA C 61.066 0.10 1 641 . 120 SER N N 113.385 0.15 1 642 . 121 ALA H H 7.454 0.03 1 643 . 121 ALA HA H 3.95 0.03 1 644 . 121 ALA C C 180.792 0.10 1 645 . 121 ALA CA C 54.915 0.10 1 646 . 121 ALA CB C 18.054 0.10 1 647 . 121 ALA N N 122.013 0.15 1 648 . 122 ASP H H 7.393 0.03 1 649 . 122 ASP HA H 4.25 0.03 1 650 . 122 ASP C C 178.457 0.10 1 651 . 122 ASP CA C 57.369 0.10 1 652 . 122 ASP CB C 41.072 0.10 1 653 . 122 ASP N N 117.757 0.15 1 654 . 123 ALA H H 7.861 0.03 1 655 . 123 ALA HA H 4.133 0.03 1 656 . 123 ALA C C 178.254 0.10 1 657 . 123 ALA CA C 54.875 0.10 1 658 . 123 ALA CB C 17.864 0.10 1 659 . 123 ALA N N 121.581 0.15 1 660 . 124 MET H H 8.627 0.03 1 661 . 124 MET HA H 4.04 0.03 1 662 . 124 MET C C 178.67 0.10 1 663 . 124 MET CA C 58.403 0.10 1 664 . 124 MET CB C 31.734 0.10 1 665 . 124 MET N N 116.536 0.15 1 666 . 125 ARG H H 7.547 0.03 1 667 . 125 ARG HA H 4.181 0.03 1 668 . 125 ARG C C 179.824 0.10 1 669 . 125 ARG CA C 59.811 0.10 1 670 . 125 ARG CB C 30.003 0.10 1 671 . 125 ARG N N 118.656 0.15 1 672 . 126 VAL H H 7.592 0.03 1 673 . 126 VAL HA H 4.0 0.03 1 674 . 126 VAL C C 178.784 0.10 1 675 . 126 VAL CA C 66.317 0.10 1 676 . 126 VAL CB C 31.681 0.10 1 677 . 126 VAL N N 121.435 0.15 1 678 . 127 ALA H H 8.883 0.03 1 679 . 127 ALA HA H 4.0 0.03 1 680 . 127 ALA C C 179.691 0.10 1 681 . 127 ALA CA C 55.843 0.10 1 682 . 127 ALA CB C 18.315 0.10 1 683 . 127 ALA N N 122.724 0.15 1 684 . 128 GLU H H 8.506 0.03 1 685 . 128 GLU HA H 4.133 0.03 1 686 . 128 GLU C C 179.937 0.10 1 687 . 128 GLU CA C 59.285 0.10 1 688 . 128 GLU CB C 29.445 0.10 1 689 . 128 GLU N N 117.31 0.15 1 690 . 129 ALA H H 7.848 0.03 1 691 . 129 ALA HA H 4.22 0.03 1 692 . 129 ALA C C 180.939 0.10 1 693 . 129 ALA CA C 55.211 0.10 1 694 . 129 ALA CB C 18.261 0.10 1 695 . 129 ALA N N 120.404 0.15 1 696 . 130 TYR H H 8.586 0.03 1 697 . 130 TYR HA H 4.537 0.03 1 698 . 130 TYR C C 179.067 0.10 1 699 . 130 TYR CA C 61.883 0.10 1 700 . 130 TYR CB C 39.553 0.10 1 701 . 130 TYR N N 120.919 0.15 1 702 . 131 GLY H H 8.914 0.03 1 703 . 131 GLY HA2 H 3.95 0.03 2 704 . 131 GLY HA3 H 4.11 0.03 2 705 . 131 GLY C C 176.401 0.10 1 706 . 131 GLY CA C 47.803 0.10 1 707 . 131 GLY N N 104.161 0.15 1 708 . 132 LYS H H 7.75 0.03 1 709 . 132 LYS HA H 4.058 0.03 1 710 . 132 LYS C C 179.426 0.10 1 711 . 132 LYS CA C 59.53 0.10 1 712 . 132 LYS CB C 32.123 0.10 1 713 . 132 LYS N N 120.146 0.15 1 714 . 133 GLN H H 7.612 0.03 1 715 . 133 GLN HA H 4.04 0.03 1 716 . 133 GLN C C 179.49 0.10 1 717 . 133 GLN CA C 59.247 0.10 1 718 . 133 GLN CB C 28.65 0.10 1 719 . 133 GLN N N 119.556 0.15 1 720 . 134 LEU H H 8.627 0.03 1 721 . 134 LEU HA H 3.392 0.03 1 722 . 134 LEU C C 178.387 0.10 1 723 . 134 LEU CA C 58.126 0.10 1 724 . 134 LEU CB C 41.385 0.10 1 725 . 134 LEU N N 117.982 0.15 1 726 . 135 ALA H H 7.595 0.03 1 727 . 135 ALA HA H 3.936 0.03 1 728 . 135 ALA C C 177.818 0.10 1 729 . 135 ALA CA C 53.754 0.10 1 730 . 135 ALA CB C 17.937 0.10 1 731 . 135 ALA N N 115.507 0.15 1 732 . 136 SER H H 7.417 0.03 1 733 . 136 SER HA H 4.4 0.03 1 734 . 136 SER C C 174.737 0.10 1 735 . 136 SER CA C 59.53 0.10 1 736 . 136 SER CB C 64.787 0.10 1 737 . 136 SER N N 110.865 0.15 1 738 . 137 LEU H H 7.167 0.03 1 739 . 137 LEU HA H 4.394 0.03 1 740 . 137 LEU C C 176.212 0.10 1 741 . 137 LEU CA C 55.968 0.10 1 742 . 137 LEU CB C 45.525 0.10 1 743 . 137 LEU N N 119.331 0.15 1 744 . 138 LEU H H 7.537 0.03 1 745 . 138 LEU HA H 4.46 0.03 1 746 . 138 LEU C C 173.147 0.10 1 747 . 138 LEU CA C 53.081 0.10 1 748 . 138 LEU CB C 40.499 0.10 1 749 . 138 LEU N N 120.456 0.15 1 750 . 139 PRO C C 175.26 0.10 1 751 . 139 PRO CA C 62.313 0.10 1 752 . 139 PRO CB C 31.322 0.10 1 753 . 140 LEU H H 8.002 0.03 1 754 . 140 LEU HA H 4.83 0.03 1 755 . 140 LEU C C 177.684 0.10 1 756 . 140 LEU CA C 53.109 0.10 1 757 . 140 LEU CB C 44.879 0.10 1 758 . 140 LEU N N 117.307 0.15 1 759 . 141 LYS H H 8.841 0.03 1 760 . 141 LYS HA H 4.548 0.03 1 761 . 141 LYS C C 175.305 0.10 1 762 . 141 LYS CA C 54.819 0.10 1 763 . 141 LYS CB C 36.581 0.10 1 764 . 141 LYS N N 122.705 0.15 1 765 . 142 SER H H 8.632 0.03 1 766 . 142 SER HA H 4.43 0.03 1 767 . 142 SER C C 174.227 0.10 1 768 . 142 SER CA C 59.247 0.10 1 769 . 142 SER CB C 64.136 0.10 1 770 . 142 SER N N 120.456 0.15 1 771 . 143 VAL H H 8.292 0.03 1 772 . 143 VAL HA H 3.898 0.03 1 773 . 143 VAL C C 176.401 0.10 1 774 . 143 VAL CA C 62.655 0.10 1 775 . 143 VAL CB C 30.868 0.10 1 776 . 143 VAL N N 124.271 0.15 1 777 . 144 GLY H H 8.071 0.03 1 778 . 144 GLY HA2 H 3.73 0.03 2 779 . 144 GLY HA3 H 4.10 0.03 2 780 . 144 GLY C C 173.962 0.10 1 781 . 144 GLY CA C 44.361 0.10 1 782 . 144 GLY N N 113.443 0.15 1 783 . 145 GLU H H 8.441 0.03 1 784 . 145 GLU HA H 3.99 0.03 1 785 . 145 GLU C C 177.37 0.10 1 786 . 145 GLU CA C 58.201 0.10 1 787 . 145 GLU CB C 28.9 0.10 1 788 . 145 GLU N N 120.456 0.15 1 789 . 146 ALA H H 8.756 0.03 1 790 . 146 ALA HA H 4.26 0.03 1 791 . 146 ALA C C 177.4 0.10 1 792 . 146 ALA CA C 52.417 0.10 1 793 . 146 ALA CB C 18.153 0.10 1 794 . 146 ALA N N 123.38 0.15 1 795 . 147 GLY H H 7.449 0.03 1 796 . 147 GLY HA2 H 4.10 0.03 1 797 . 147 GLY HA3 H 4.10 0.03 1 798 . 147 GLY C C 171.605 0.10 1 799 . 147 GLY CA C 44.841 0.10 1 800 . 147 GLY N N 105.16 0.15 1 801 . 148 PRO HA H 4.3 0.03 1 802 . 148 PRO C C 175.046 0.10 1 803 . 148 PRO CA C 62.747 0.10 1 804 . 148 PRO CB C 31.757 0.10 1 805 . 149 LYS H H 8.161 0.03 1 806 . 149 LYS HA H 4.63 0.03 1 807 . 149 LYS C C 176.742 0.10 1 808 . 149 LYS CA C 55.422 0.10 1 809 . 149 LYS CB C 33.952 0.10 1 810 . 149 LYS N N 117.052 0.15 1 811 . 150 VAL H H 8.725 0.03 1 812 . 150 VAL HA H 4.617 0.03 1 813 . 150 VAL C C 172.53 0.10 1 814 . 150 VAL CA C 57.818 0.10 1 815 . 150 VAL CB C 34.115 0.10 1 816 . 150 VAL N N 119.556 0.15 1 817 . 151 PRO HA H 4.67 0.03 1 818 . 151 PRO C C 175.474 0.10 1 819 . 151 PRO CA C 61.754 0.10 1 820 . 151 PRO CB C 32.129 0.10 1 821 . 152 VAL H H 8.343 0.03 1 822 . 152 VAL C C 174.992 0.10 1 823 . 152 VAL CA C 61.658 0.10 1 824 . 152 VAL CB C 32.708 0.10 1 825 . 152 VAL N N 121.356 0.15 1 826 . 153 PHE H H 8.41 0.03 1 827 . 153 PHE C C 176.95 0.10 1 828 . 153 PHE CA C 58.006 0.10 1 829 . 153 PHE CB C 41.094 0.10 1 830 . 153 PHE N N 124.271 0.15 1 831 . 154 ASP H H 8.849 0.03 1 832 . 154 ASP HA H 4.6 0.03 1 833 . 154 ASP C C 177.025 0.10 1 834 . 154 ASP CA C 59.179 0.10 1 835 . 154 ASP CB C 42.106 0.10 1 836 . 154 ASP N N 120.146 0.15 1 837 . 155 VAL H H 8.62 0.03 1 838 . 155 VAL HA H 5.01 0.03 1 839 . 155 VAL C C 174.208 0.10 1 840 . 155 VAL CA C 60.935 0.10 1 841 . 155 VAL CB C 35.649 0.10 1 842 . 155 VAL N N 115.763 0.15 1 843 . 156 VAL H H 8.716 0.03 1 844 . 156 VAL HA H 5.26 0.03 1 845 . 156 VAL C C 173.452 0.10 1 846 . 156 VAL CA C 61.989 0.10 1 847 . 156 VAL CB C 34.453 0.10 1 848 . 156 VAL N N 125.502 0.15 1 849 . 157 LEU H H 8.148 0.03 1 850 . 157 LEU HA H 5.28 0.03 1 851 . 157 LEU C C 174.284 0.10 1 852 . 157 LEU CA C 53.138 0.10 1 853 . 157 LEU CB C 44.016 0.10 1 854 . 157 LEU N N 126.791 0.15 1 855 . 158 LEU H H 9.073 0.03 1 856 . 158 LEU HA H 4.78 0.03 1 857 . 158 LEU C C 175.721 0.10 1 858 . 158 LEU CA C 53.28 0.10 1 859 . 158 LEU CB C 46.393 0.10 1 860 . 158 LEU N N 120.44 0.15 1 861 . 159 GLY H H 8.745 0.03 1 862 . 159 GLY HA2 H 4.95 0.03 1 863 . 159 GLY HA3 H 4.95 0.03 1 864 . 159 GLY C C 173.055 0.10 1 865 . 159 GLY CA C 42.403 0.10 1 866 . 159 GLY N N 105.45 0.15 1 867 . 160 LEU H H 7.996 0.03 1 868 . 160 LEU HA H 4.31 0.03 1 869 . 160 LEU C C 176.553 0.10 1 870 . 160 LEU CA C 52.801 0.10 1 871 . 160 LEU CB C 45.694 0.10 1 872 . 160 LEU N N 114.216 0.15 1 873 . 161 GLY H H 7.843 0.03 1 874 . 161 GLY C C 175.796 0.10 1 875 . 161 GLY CA C 43.104 0.10 1 876 . 161 GLY N N 103.81 0.15 1 877 . 162 SER H H 9.544 0.03 1 878 . 162 SER C C 173.571 0.10 1 879 . 162 SER CA C 61.399 0.10 1 880 . 162 SER CB C 63.549 0.10 1 881 . 162 SER N N 116.407 0.15 1 882 . 163 ASP H H 8.669 0.03 1 883 . 163 ASP HA H 5.12 0.03 1 884 . 163 ASP C C 178.235 0.10 1 885 . 163 ASP CA C 53.894 0.10 1 886 . 163 ASP CB C 41.072 0.10 1 887 . 163 ASP N N 117.307 0.15 1 888 . 164 GLY H H 8.38 0.03 1 889 . 164 GLY HA2 H 3.90 0.03 1 890 . 164 GLY HA3 H 3.90 0.03 1 891 . 164 GLY C C 171.845 0.10 1 892 . 164 GLY CA C 45.486 0.10 1 893 . 164 GLY N N 108.534 0.15 1 894 . 165 HIS H H 7.963 0.03 1 895 . 165 HIS HA H 4.54 0.03 1 896 . 165 HIS C C 171.882 0.10 1 897 . 165 HIS CA C 55.856 0.10 1 898 . 165 HIS CB C 28.379 0.10 1 899 . 165 HIS N N 115.057 0.15 1 900 . 166 THR H H 6.845 0.03 1 901 . 166 THR HA H 4.42 0.03 1 902 . 166 THR C C 171.391 0.10 1 903 . 166 THR CA C 60.088 0.10 1 904 . 166 THR CB C 69.405 0.10 1 905 . 166 THR N N 110.109 0.15 1 906 . 167 ALA H H 8.474 0.03 1 907 . 167 ALA HA H 4.28 0.03 1 908 . 167 ALA C C 176.817 0.10 1 909 . 167 ALA CA C 54.539 0.10 1 910 . 167 ALA CB C 15.796 0.10 1 911 . 167 ALA N N 132.378 0.15 1 912 . 168 SER H H 7.428 0.03 1 913 . 168 SER HA H 4.2 0.03 1 914 . 168 SER C C 176.874 0.10 1 915 . 168 SER CA C 59.303 0.10 1 916 . 168 SER CB C 64.902 0.10 1 917 . 168 SER N N 118.881 0.15 1 918 . 169 ILE H H 8.516 0.03 1 919 . 169 ILE HA H 3.7 0.03 1 920 . 169 ILE C C 173.976 0.10 1 921 . 169 ILE CA C 60.2 0.10 1 922 . 169 ILE CB C 36.194 0.10 1 923 . 169 ILE N N 120.861 0.15 1 924 . 170 PHE H H 6.845 0.03 1 925 . 170 PHE C C 174.903 0.10 1 926 . 170 PHE CA C 57.033 0.10 1 927 . 170 PHE CB C 39.665 0.10 1 928 . 170 PHE N N 119.556 0.15 1 929 . 171 PRO HA H 4.43 0.03 1 930 . 171 PRO C C 178.279 0.10 1 931 . 171 PRO CA C 64.114 0.10 1 932 . 171 PRO CB C 30.825 0.10 1 933 . 172 GLY H H 9.52 0.03 1 934 . 172 GLY C C 174.303 0.10 1 935 . 172 GLY CA C 45.942 0.10 1 936 . 172 GLY N N 114.474 0.15 1 937 . 173 SER H H 7.93 0.03 1 938 . 173 SER HA H 4.82 0.03 1 939 . 173 SER C C 175.834 0.10 1 940 . 173 SER CA C 58.171 0.10 1 941 . 173 SER CB C 66.796 0.10 1 942 . 173 SER N N 113.24 0.15 1 943 . 174 GLN H H 9.606 0.03 1 944 . 174 GLN C C 178.969 0.10 1 945 . 174 GLN CA C 59.091 0.10 1 946 . 174 GLN CB C 27.351 0.10 1 947 . 174 GLN N N 122.48 0.15 1 948 . 175 ALA H H 7.904 0.03 1 949 . 175 ALA HA H 4.04 0.03 1 950 . 175 ALA C C 178.557 0.10 1 951 . 175 ALA CA C 55.295 0.10 1 952 . 175 ALA CB C 19.335 0.10 1 953 . 175 ALA N N 116.279 0.15 1 954 . 176 GLU H H 7.532 0.03 1 955 . 176 GLU HA H 3.34 0.03 1 956 . 176 GLU C C 175.891 0.10 1 957 . 176 GLU CA C 58.92 0.10 1 958 . 176 GLU CB C 29.223 0.10 1 959 . 176 GLU N N 114.474 0.15 1 960 . 177 LYS H H 7.309 0.03 1 961 . 177 LYS HA H 4.29 0.03 1 962 . 177 LYS C C 178.254 0.10 1 963 . 177 LYS CA C 55.884 0.10 1 964 . 177 LYS CB C 32.5 0.10 1 965 . 177 LYS N N 111.638 0.15 1 966 . 178 GLU H H 7.536 0.03 1 967 . 178 GLU C C 176.345 0.10 1 968 . 178 GLU CA C 54.707 0.10 1 969 . 178 GLU CB C 26.696 0.10 1 970 . 178 GLU N N 119.781 0.15 1 971 . 179 THR H H 8.059 0.03 1 972 . 179 THR HA H 4.51 0.03 1 973 . 179 THR C C 175.38 0.10 1 974 . 179 THR CA C 61.957 0.10 1 975 . 179 THR CB C 69.605 0.10 1 976 . 179 THR N N 108.544 0.15 1 977 . 180 ASP H H 8.118 0.03 1 978 . 180 ASP HA H 4.5 0.03 1 979 . 180 ASP C C 176.477 0.10 1 980 . 180 ASP CA C 54.511 0.10 1 981 . 180 ASP CB C 41.347 0.10 1 982 . 180 ASP N N 120.006 0.15 1 983 . 181 GLY H H 7.974 0.03 1 984 . 181 GLY C C 172.733 0.10 1 985 . 181 GLY CA C 45.099 0.10 1 986 . 181 GLY N N 105.966 0.15 1 987 . 182 LYS H H 7.976 0.03 1 988 . 182 LYS HA H 3.8 0.03 1 989 . 182 LYS C C 176.571 0.10 1 990 . 182 LYS CA C 59.601 0.10 1 991 . 182 LYS CB C 32.104 0.10 1 992 . 182 LYS N N 117.51 0.15 1 993 . 183 VAL H H 7.998 0.03 1 994 . 183 VAL C C 176.553 0.10 1 995 . 183 VAL CA C 61.813 0.10 1 996 . 183 VAL CB C 33.869 0.10 1 997 . 183 VAL N N 115.247 0.15 1 998 . 184 VAL H H 8.901 0.03 1 999 . 184 VAL HA H 3.77 0.03 1 1000 . 184 VAL C C 176.042 0.10 1 1001 . 184 VAL CA C 64.573 0.10 1 1002 . 184 VAL CB C 33.141 0.10 1 1003 . 184 VAL N N 128.654 0.15 1 1004 . 185 VAL H H 7.955 0.03 1 1005 . 185 VAL HA H 4.68 0.03 1 1006 . 185 VAL C C 173.868 0.10 1 1007 . 185 VAL CA C 61.11 0.10 1 1008 . 185 VAL CB C 33.249 0.10 1 1009 . 185 VAL N N 120.006 0.15 1 1010 . 186 SER H H 9.514 0.03 1 1011 . 186 SER HA H 4.75 0.03 1 1012 . 186 SER C C 173.735 0.10 1 1013 . 186 SER CA C 55.015 0.10 1 1014 . 186 SER CB C 64.787 0.10 1 1015 . 186 SER N N 119.781 0.15 1 1016 . 187 VAL H H 8.977 0.03 1 1017 . 187 VAL HA H 5.63 0.03 1 1018 . 187 VAL C C 174.813 0.10 1 1019 . 187 VAL CA C 58.939 0.10 1 1020 . 187 VAL CB C 36.68 0.10 1 1021 . 187 VAL N N 111.683 0.15 1 1022 . 188 GLY H H 8.227 0.03 1 1023 . 188 GLY HA2 H 3.86 0.03 2 1024 . 188 GLY HA3 H 4.52 0.03 2 1025 . 188 GLY C C 169.122 0.10 1 1026 . 188 GLY CA C 46.162 0.10 1 1027 . 188 GLY N N 102.236 0.15 1 1028 . 189 PHE H H 8.043 0.03 1 1029 . 189 PHE C C 171.845 0.10 1 1030 . 189 PHE CA C 54.567 0.10 1 1031 . 189 PHE CB C 41.545 0.10 1 1032 . 189 PHE N N 122.208 0.15 1 1033 . 192 GLU H H 8.328 0.03 1 1034 . 192 GLU C C 170.053 0.10 1 1035 . 192 GLU CA C 55.844 0.10 1 1036 . 192 GLU CB C 32.688 0.10 1 1037 . 192 GLU N N 120.214 0.15 1 1038 . 193 THR H H 8.337 0.03 1 1039 . 193 THR HA H 4.14 0.03 1 1040 . 193 THR C C 173.43 0.10 1 1041 . 193 THR CA C 58.463 0.10 1 1042 . 193 THR CB C 64.305 0.10 1 1043 . 193 THR N N 115.732 0.15 1 1044 . 194 MET H H 8.312 0.03 1 1045 . 194 MET HA H 4.82 0.03 1 1046 . 194 MET C C 174.071 0.10 1 1047 . 194 MET CA C 57.367 0.10 1 1048 . 194 MET CB C 39.395 0.10 1 1049 . 194 MET N N 123.38 0.15 1 1050 . 195 LYS H H 8.768 0.03 1 1051 . 195 LYS C C 172.501 0.10 1 1052 . 195 LYS CA C 53.193 0.10 1 1053 . 195 LYS CB C 32.384 0.10 1 1054 . 195 LYS N N 127.654 0.15 1 1055 . 196 PRO HA H 4.77 0.03 1 1056 . 197 LYS H H 8.324 0.03 1 1057 . 197 LYS HA H 3.6 0.03 1 1058 . 197 LYS C C 173.215 0.10 1 1059 . 197 LYS CA C 55.031 0.10 1 1060 . 197 LYS CB C 29.148 0.10 1 1061 . 197 LYS N N 119.331 0.15 1 1062 . 198 VAL H H 7.028 0.03 1 1063 . 198 VAL HA H 4.70 0.03 1 1064 . 198 VAL C C 174.381 0.10 1 1065 . 198 VAL CA C 58.378 0.10 1 1066 . 198 VAL CB C 34.944 0.10 1 1067 . 198 VAL N N 116.279 0.15 1 1068 . 199 TRP H H 8.9 0.03 1 1069 . 199 TRP HA H 4.3 0.03 1 1070 . 199 TRP C C 174.492 0.10 1 1071 . 199 TRP CA C 61.375 0.10 1 1072 . 199 TRP CB C 30.925 0.10 1 1073 . 199 TRP N N 121.131 0.15 1 1074 . 200 ARG H H 8.829 0.03 1 1075 . 200 ARG C C 176.122 0.10 1 1076 . 200 ARG CA C 52.156 0.10 1 1077 . 200 ARG CB C 33.208 0.10 1 1078 . 200 ARG N N 115.282 0.15 1 1079 . 201 VAL H H 8.173 0.03 1 1080 . 201 VAL HA H 5.13 0.03 1 1081 . 201 VAL C C 175.569 0.10 1 1082 . 201 VAL CA C 58.855 0.10 1 1083 . 201 VAL CB C 33.951 0.10 1 1084 . 201 VAL N N 110.607 0.15 1 1085 . 202 THR H H 8.451 0.03 1 1086 . 202 THR C C 171.788 0.10 1 1087 . 202 THR CA C 59.331 0.10 1 1088 . 202 THR CB C 70.19 0.10 1 1089 . 202 THR N N 113.958 0.15 1 1090 . 203 LEU H H 9.202 0.03 1 1091 . 203 LEU C C 176.628 0.10 1 1092 . 203 LEU CA C 57.145 0.10 1 1093 . 203 LEU CB C 41.932 0.10 1 1094 . 203 LEU N N 127.365 0.15 1 1095 . 204 SER H H 8.157 0.03 1 1096 . 204 SER HA H 4.4 0.03 1 1097 . 204 SER C C 172.582 0.10 1 1098 . 204 SER CA C 56.108 0.10 1 1099 . 204 SER CB C 63.617 0.10 1 1100 . 204 SER N N 114.383 0.15 1 1101 . 205 PRO HA H 3.4 0.03 1 1102 . 205 PRO C C 177.709 0.10 1 1103 . 205 PRO CA C 66.16 0.10 1 1104 . 205 PRO CB C 30.949 0.10 1 1105 . 206 ALA H H 7.411 0.03 1 1106 . 206 ALA HA H 3.9 0.03 1 1107 . 206 ALA C C 178.636 0.10 1 1108 . 206 ALA CA C 55.27 0.10 1 1109 . 206 ALA CB C 18.839 0.10 1 1110 . 206 ALA N N 113.385 0.15 1 1111 . 207 THR H H 7.587 0.03 1 1112 . 207 THR HA H 4.22 0.03 1 1113 . 207 THR C C 177.994 0.10 1 1114 . 207 THR CA C 66.59 0.10 1 1115 . 207 THR CB C 68.111 0.10 1 1116 . 207 THR N N 114.158 0.15 1 1117 . 208 ILE H H 7.861 0.03 1 1118 . 208 ILE HA H 3.32 0.03 1 1119 . 208 ILE C C 177.179 0.10 1 1120 . 208 ILE CA C 66.93 0.10 1 1121 . 208 ILE CB C 38.389 0.10 1 1122 . 208 ILE N N 122.013 0.15 1 1123 . 209 MET H H 8.446 0.03 1 1124 . 209 MET HA H 4.44 0.03 1 1125 . 209 MET C C 175.911 0.10 1 1126 . 209 MET CA C 59.276 0.10 1 1127 . 209 MET CB C 34.115 0.10 1 1128 . 209 MET N N 113.127 0.15 1 1129 . 210 GLN H H 7.197 0.03 1 1130 . 210 GLN HA H 4.41 0.03 1 1131 . 210 GLN C C 175.196 0.10 1 1132 . 210 GLN CA C 53.623 0.10 1 1133 . 210 GLN CB C 28.11 0.10 1 1134 . 210 GLN N N 112.869 0.15 1 1135 . 211 ALA H H 7.242 0.03 1 1136 . 211 ALA HA H 4.51 0.03 1 1137 . 211 ALA C C 179.052 0.10 1 1138 . 211 ALA CA C 52.605 0.10 1 1139 . 211 ALA CB C 20.251 0.10 1 1140 . 211 ALA N N 119.83 0.15 1 1141 . 212 ARG H H 8.897 0.03 1 1142 . 212 ARG HA H 4.01 0.03 1 1143 . 212 ARG C C 177.84 0.10 1 1144 . 212 ARG CA C 59.437 0.10 1 1145 . 212 ARG CB C 29.732 0.10 1 1146 . 212 ARG N N 116.736 0.15 1 1147 . 213 ASN H H 7.139 0.03 1 1148 . 213 ASN HA H 4.537 0.03 1 1149 . 213 ASN C C 172.62 0.10 1 1150 . 213 ASN CA C 52.964 0.10 1 1151 . 213 ASN CB C 42.687 0.10 1 1152 . 213 ASN N N 113.033 0.15 1 1153 . 214 VAL H H 9.159 0.03 1 1154 . 214 VAL HA H 4.8 0.03 1 1155 . 214 VAL C C 174.019 0.10 1 1156 . 214 VAL CA C 61.426 0.10 1 1157 . 214 VAL CB C 34.518 0.10 1 1158 . 214 VAL N N 123.755 0.15 1 1159 . 215 ILE H H 8.841 0.03 1 1160 . 215 ILE HA H 4.51 0.03 1 1161 . 215 ILE C C 173.074 0.10 1 1162 . 215 ILE CA C 60.06 0.10 1 1163 . 215 ILE CB C 39.688 0.10 1 1164 . 215 ILE N N 127.307 0.15 1 1165 . 216 VAL H H 8.86 0.03 1 1166 . 216 VAL C C 174.359 0.10 1 1167 . 216 VAL CA C 60.162 0.10 1 1168 . 216 VAL CB C 32.197 0.10 1 1169 . 216 VAL N N 126.529 0.15 1 1170 . 217 LEU H H 8.785 0.03 1 1171 . 217 LEU HA H 5.24 0.03 1 1172 . 217 LEU C C 176.099 0.10 1 1173 . 217 LEU CA C 53.754 0.10 1 1174 . 217 LEU CB C 43.092 0.10 1 1175 . 217 LEU N N 125.302 0.15 1 1176 . 218 ALA H H 8.53 0.03 1 1177 . 218 ALA HA H 4.68 0.03 1 1178 . 218 ALA C C 172.979 0.10 1 1179 . 218 ALA CA C 52.543 0.10 1 1180 . 218 ALA CB C 21.946 0.10 1 1181 . 218 ALA N N 121.95 0.15 1 1182 . 219 THR H H 8.006 0.03 1 1183 . 219 THR HA H 4.7 0.03 1 1184 . 219 THR C C 173.887 0.10 1 1185 . 219 THR CA C 59.163 0.10 1 1186 . 219 THR CB C 71.812 0.10 1 1187 . 219 THR N N 108.544 0.15 1 1188 . 220 GLY H H 8.751 0.03 1 1189 . 220 GLY C C 174.548 0.10 1 1190 . 220 GLY CA C 45.122 0.10 1 1191 . 220 GLY N N 108.984 0.15 1 1192 . 221 ALA H H 8.961 0.03 1 1193 . 221 ALA HA H 3.76 0.03 1 1194 . 221 ALA C C 180.069 0.10 1 1195 . 221 ALA CA C 55.211 0.10 1 1196 . 221 ALA CB C 18.532 0.10 1 1197 . 221 ALA N N 126.304 0.15 1 1198 . 222 GLU H H 9.852 0.03 1 1199 . 222 GLU HA H 4.49 0.03 1 1200 . 222 GLU C C 176.462 0.10 1 1201 . 222 GLU CA C 58.285 0.10 1 1202 . 222 GLU CB C 27.622 0.10 1 1203 . 222 GLU N N 117.082 0.15 1 1204 . 223 LYS H H 7.78 0.03 1 1205 . 223 LYS HA H 4.73 0.03 1 1206 . 223 LYS C C 176.694 0.10 1 1207 . 223 LYS CA C 55.688 0.10 1 1208 . 223 LYS CB C 32.812 0.10 1 1209 . 223 LYS N N 115.507 0.15 1 1210 . 224 LYS H H 7.807 0.03 1 1211 . 224 LYS HA H 3.91 0.03 1 1212 . 224 LYS C C 178.126 0.10 1 1213 . 224 LYS CA C 60.845 0.10 1 1214 . 224 LYS CB C 32.004 0.10 1 1215 . 224 LYS N N 123.697 0.15 1 1216 . 225 TRP H H 8.74 0.03 1 1217 . 225 TRP HA H 4.45 0.03 1 1218 . 225 TRP C C 177.928 0.10 1 1219 . 225 TRP CA C 59.079 0.10 1 1220 . 225 TRP CB C 26.323 0.10 1 1221 . 225 TRP N N 114.383 0.15 1 1222 . 226 VAL H H 6.514 0.03 1 1223 . 226 VAL C C 176.732 0.10 1 1224 . 226 VAL CA C 65.219 0.10 1 1225 . 226 VAL CB C 30.219 0.10 1 1226 . 226 VAL N N 122.031 0.15 1 1227 . 227 VAL H H 6.787 0.03 1 1228 . 227 VAL HA H 3.16 0.03 1 1229 . 227 VAL C C 178.215 0.10 1 1230 . 227 VAL CA C 66.909 0.10 1 1231 . 227 VAL CB C 31.085 0.10 1 1232 . 227 VAL N N 116.407 0.15 1 1233 . 228 ASP H H 8.598 0.03 1 1234 . 228 ASP HA H 4.18 0.03 1 1235 . 228 ASP C C 178.481 0.10 1 1236 . 228 ASP CA C 57.775 0.10 1 1237 . 228 ASP CB C 40.337 0.10 1 1238 . 228 ASP N N 119.315 0.15 1 1239 . 229 GLY H H 7.791 0.03 1 1240 . 229 GLY HA2 H 3.92 0.03 2 1241 . 229 GLY HA3 H 4.11 0.03 2 1242 . 229 GLY C C 174.756 0.10 1 1243 . 229 GLY CA C 46.103 0.10 1 1244 . 229 GLY N N 103.346 0.15 1 1245 . 230 ILE H H 7.777 0.03 1 1246 . 230 ILE HA H 3.68 0.03 1 1247 . 230 ILE C C 175.966 0.10 1 1248 . 230 ILE CA C 64.993 0.10 1 1249 . 230 ILE CB C 38.944 0.10 1 1250 . 230 ILE N N 120.681 0.15 1 1251 . 231 LEU H H 7.609 0.03 1 1252 . 231 LEU HA H 3.92 0.03 1 1253 . 231 LEU C C 178.16 0.10 1 1254 . 231 LEU CA C 56.781 0.10 1 1255 . 231 LEU CB C 41.582 0.10 1 1256 . 231 LEU N N 115.282 0.15 1 1257 . 232 ALA H H 7.902 0.03 1 1258 . 232 ALA HA H 4.20 0.03 1 1259 . 232 ALA C C 178.065 0.10 1 1260 . 232 ALA CA C 52.773 0.10 1 1261 . 232 ALA CB C 19.506 0.10 1 1262 . 232 ALA N N 119.63 0.15 1 1263 . 233 ASP H H 8.842 0.03 1 1264 . 233 ASP HA H 4.28 0.03 1 1265 . 233 ASP C C 176.877 0.10 1 1266 . 233 ASP CA C 57.81 0.10 1 1267 . 233 ASP CB C 40.824 0.10 1 1268 . 233 ASP N N 121.356 0.15 1 1269 . 234 THR H H 7.759 0.03 1 1270 . 234 THR HA H 4.24 0.03 1 1271 . 234 THR C C 172.597 0.10 1 1272 . 234 THR CA C 60.957 0.10 1 1273 . 234 THR CB C 70.75 0.10 1 1274 . 234 THR N N 110.54 0.15 1 1275 . 235 ALA H H 8.509 0.03 1 1276 . 235 ALA HA H 4.55 0.03 1 1277 . 235 ALA C C 176.472 0.10 1 1278 . 235 ALA CA C 51.277 0.10 1 1279 . 235 ALA CB C 19.668 0.10 1 1280 . 235 ALA N N 125.405 0.15 1 1281 . 237 LYS HA H 4.25 0.03 1 1282 . 237 LYS C C 173.0 0.10 1 1283 . 237 LYS CA C 55.792 0.10 1 1284 . 237 LYS CB C 31.632 0.10 1 1285 . 238 ALA H H 8.583 0.03 1 1286 . 238 ALA C C 176.092 0.10 1 1287 . 238 ALA CA C 49.859 0.10 1 1288 . 238 ALA CB C 19.289 0.10 1 1289 . 238 ALA N N 125.405 0.15 1 1290 . 239 PRO HA H 5.28 0.03 1 1291 . 239 PRO C C 178.424 0.10 1 1292 . 239 PRO CA C 61.195 0.10 1 1293 . 239 PRO CB C 32.626 0.10 1 1294 . 240 VAL H H 9.594 0.03 1 1295 . 240 VAL HA H 4.22 0.03 1 1296 . 240 VAL C C 178.557 0.10 1 1297 . 240 VAL CA C 65.897 0.10 1 1298 . 240 VAL CB C 31.617 0.10 1 1299 . 240 VAL N N 124.055 0.15 1 1300 . 241 ALA H H 7.489 0.03 1 1301 . 241 ALA HA H 3.68 0.03 1 1302 . 241 ALA C C 175.059 0.10 1 1303 . 241 ALA CA C 53.642 0.10 1 1304 . 241 ALA CB C 18.261 0.10 1 1305 . 241 ALA N N 113.7 0.15 1 1306 . 242 ARG H H 7.851 0.03 1 1307 . 242 ARG C C 176.042 0.10 1 1308 . 242 ARG CA C 59.249 0.10 1 1309 . 242 ARG CB C 29.397 0.10 1 1310 . 242 ARG N N 119.115 0.15 1 1311 . 243 PHE H H 7.743 0.03 1 1312 . 243 PHE HA H 4.5 0.03 1 1313 . 243 PHE C C 176.212 0.10 1 1314 . 243 PHE CA C 60.032 0.10 1 1315 . 243 PHE CB C 36.301 0.10 1 1316 . 243 PHE N N 116.16 0.15 1 1317 . 244 LEU H H 7.149 0.03 1 1318 . 244 LEU HA H 3.7 0.03 1 1319 . 244 LEU C C 177.101 0.10 1 1320 . 244 LEU CA C 56.164 0.10 1 1321 . 244 LEU CB C 41.61 0.10 1 1322 . 244 LEU N N 120.603 0.15 1 1323 . 245 ARG H H 7.455 0.03 1 1324 . 245 ARG HA H 4.01 0.03 1 1325 . 245 ARG C C 177.271 0.10 1 1326 . 245 ARG CA C 58.242 0.10 1 1327 . 245 ARG CB C 30.273 0.10 1 1328 . 245 ARG N N 114.99 0.15 1 1329 . 246 GLY H H 8.149 0.03 1 1330 . 246 GLY HA2 H 4.13 0.03 2 1331 . 246 GLY HA3 H 4.28 0.03 2 1332 . 246 GLY C C 174.548 0.10 1 1333 . 246 GLY CA C 44.676 0.10 1 1334 . 246 GLY N N 103.13 0.15 1 1335 . 247 CYS H H 7.502 0.03 1 1336 . 247 CYS HA H 4.23 0.03 1 1337 . 247 CYS C C 175.91 0.10 1 1338 . 247 CYS CA C 62.891 0.10 1 1339 . 247 CYS CB C 27.838 0.10 1 1340 . 247 CYS N N 117.307 0.15 1 1341 . 248 GLU H H 9.046 0.03 1 1342 . 248 GLU HA H 4.37 0.03 1 1343 . 248 GLU C C 178.008 0.10 1 1344 . 248 GLU CA C 57.089 0.10 1 1345 . 248 GLU CB C 30.134 0.10 1 1346 . 248 GLU N N 121.806 0.15 1 1347 . 249 GLY H H 8.203 0.03 1 1348 . 249 GLY HA2 H 4.36 0.03 1 1349 . 249 GLY HA3 H 4.36 0.03 1 1350 . 249 GLY C C 172.544 0.10 1 1351 . 249 GLY CA C 43.739 0.10 1 1352 . 249 GLY N N 106.997 0.15 1 1353 . 250 ASN H H 7.836 0.03 1 1354 . 250 ASN HA H 4.70 0.03 1 1355 . 250 ASN C C 175.172 0.10 1 1356 . 250 ASN CA C 53.494 0.10 1 1357 . 250 ASN CB C 39.285 0.10 1 1358 . 250 ASN N N 115.505 0.15 1 1359 . 251 VAL H H 9.104 0.03 1 1360 . 251 VAL HA H 4.93 0.03 1 1361 . 251 VAL C C 175.324 0.10 1 1362 . 251 VAL CA C 61.77 0.10 1 1363 . 251 VAL CB C 32.842 0.10 1 1364 . 251 VAL N N 126.979 0.15 1 1365 . 252 SER H H 8.827 0.03 1 1366 . 252 SER HA H 5.51 0.03 1 1367 . 252 SER C C 172.015 0.10 1 1368 . 252 SER CA C 57.341 0.10 1 1369 . 252 SER CB C 65.551 0.10 1 1370 . 252 SER N N 121.95 0.15 1 1371 . 253 PHE H H 9.224 0.03 1 1372 . 253 PHE HA H 5.05 0.03 1 1373 . 253 PHE C C 173.225 0.10 1 1374 . 253 PHE CA C 56.239 0.10 1 1375 . 253 PHE CB C 40.804 0.10 1 1376 . 253 PHE N N 120.661 0.15 1 1377 . 254 LEU H H 9.458 0.03 1 1378 . 254 LEU HA H 5.1 0.03 1 1379 . 254 LEU C C 173.433 0.10 1 1380 . 254 LEU CA C 55.66 0.10 1 1381 . 254 LEU CB C 41.416 0.10 1 1382 . 254 LEU N N 126.849 0.15 1 1383 . 255 LEU H H 8.489 0.03 1 1384 . 255 LEU HA H 5.7 0.03 1 1385 . 255 LEU C C 177.176 0.10 1 1386 . 255 LEU CA C 52.789 0.10 1 1387 . 255 LEU CB C 45.145 0.10 1 1388 . 255 LEU N N 120.146 0.15 1 1389 . 256 ASP H H 7.22 0.03 1 1390 . 256 ASP HA H 5.67 0.03 1 1391 . 256 ASP C C 176.25 0.10 1 1392 . 256 ASP CA C 51.879 0.10 1 1393 . 256 ASP CB C 41.96 0.10 1 1394 . 256 ASP N N 117.252 0.15 1 1395 . 257 LYS H H 7.43 0.03 1 1396 . 257 LYS HA H 3.69 0.03 1 1397 . 257 LYS C C 178.5 0.10 1 1398 . 257 LYS CA C 59.39 0.10 1 1399 . 257 LYS CB C 32.221 0.10 1 1400 . 257 LYS N N 115.763 0.15 1 1401 . 258 GLU H H 7.631 0.03 1 1402 . 258 GLU HA H 4.03 0.03 1 1403 . 258 GLU C C 179.136 0.10 1 1404 . 258 GLU CA C 59.677 0.10 1 1405 . 258 GLU CB C 29.624 0.10 1 1406 . 258 GLU N N 115.209 0.15 1 1407 . 259 ILE H H 8.007 0.03 1 1408 . 259 ILE HA H 3.69 0.03 1 1409 . 259 ILE C C 175.284 0.10 1 1410 . 259 ILE CA C 64.153 0.10 1 1411 . 259 ILE CB C 37.361 0.10 1 1412 . 259 ILE N N 117.252 0.15 1 1413 . 260 ALA H H 7.232 0.03 1 1414 . 260 ALA HA H 4.17 0.03 1 1415 . 260 ALA C C 178.303 0.10 1 1416 . 260 ALA CA C 52.044 0.10 1 1417 . 260 ALA CB C 20.858 0.10 1 1418 . 260 ALA N N 117.982 0.15 1 1419 . 261 GLU H H 7.355 0.03 1 1420 . 261 GLU HA H 3.94 0.03 1 1421 . 261 GLU C C 176.912 0.10 1 1422 . 261 GLU CA C 59.023 0.10 1 1423 . 261 GLU CB C 29.948 0.10 1 1424 . 261 GLU N N 117.825 0.15 1 1425 . 262 ASN H H 8.688 0.03 1 1426 . 262 ASN HA H 4.71 0.03 1 1427 . 262 ASN C C 175.513 0.10 1 1428 . 262 ASN CA C 53.698 0.10 1 1429 . 262 ASN CB C 38.443 0.10 1 1430 . 262 ASN N N 114.732 0.15 1 1431 . 263 LEU H H 7.585 0.03 1 1432 . 263 LEU HA H 4.15 0.03 1 1433 . 263 LEU C C 177.139 0.10 1 1434 . 263 LEU CA C 55.8 0.10 1 1435 . 263 LEU CB C 41.744 0.10 1 1436 . 263 LEU N N 120.006 0.15 1 1437 . 264 ALA H H 8.334 0.03 1 1438 . 264 ALA HA H 4.12 0.03 1 1439 . 264 ALA C C 177.047 0.10 1 1440 . 264 ALA CA C 52.613 0.10 1 1441 . 264 ALA CB C 18.648 0.10 1 1442 . 264 ALA N N 122.982 0.15 1 1443 . 265 LYS H H 7.885 0.03 1 1444 . 265 LYS HA H 4.14 0.03 1 1445 . 265 LYS C C 175.305 0.10 1 1446 . 265 LYS CA C 56.124 0.10 1 1447 . 265 LYS CB C 32.388 0.10 1 1448 . 265 LYS N N 118.207 0.15 1 1449 . 266 PHE H H 7.544 0.03 1 1450 . 266 PHE HA H 4.431 0.03 1 1451 . 266 PHE C C 180.202 0.10 1 1452 . 266 PHE CA C 58.888 0.10 1 1453 . 266 PHE CB C 40.239 0.10 1 1454 . 266 PHE N N 124.786 0.15 1 stop_ save_