data_34300 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural characterization of the Mycobacterium tuberculosis Protein Tyrosine Kinase A (PtkA) ; _BMRB_accession_number 34300 _BMRB_flat_file_name bmr34300.str _Entry_type original _Submission_date 2017-11-27 _Accession_date 2017-11-27 _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 Niesteruk A. . . 2 Jonker H. R.A. . 3 Sreeramulu S. . . 4 Richter C. . . 5 Hutchison M. . . 6 Linhard V. . . 7 Schwalbe H. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 843 "13C chemical shifts" 691 "15N chemical shifts" 167 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-15 original BMRB . stop_ _Original_release_date 2018-07-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The domain architecture of the PtkA, the first tyrosine kinase from Mycobacterium tuberculosis differs from the conventional kinase architecture. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29884774 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Niesteruk A. . . 2 Jonker H. R.A. . 3 Richter C. . . 4 Linhard V. . . 5 Sreeramulu S. . . 6 Schwalbe H. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 293 _Journal_issue 30 _Journal_ASTM JBCHA3 _Journal_ISSN 1083-351X _Journal_CSD 0071 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11823 _Page_last 11836 _Year 2018 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_2 _Saveframe_category citation _Citation_full . _Citation_title ; Structural characterization of the intrinsically disordered domain of Mycobacterium tuberculosis protein tyrosine kinase A. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29494752 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Niesteruk A. . . 2 Hutchison M. . . 3 Sreeramulu S. . . 4 Jonker H. R.A. . 5 Richter C. . . 6 Abele R. . . 7 Bock C. . . 8 Schwalbe H. . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full . _Journal_volume 592 _Journal_issue . _Journal_CSD 0165 _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1233 _Page_last 1245 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Uncharacterized protein Rv2232' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 22874.760 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 216 _Mol_residue_sequence ; GESPQLVIFDLDGTLTDSAR GIVSSFRHALNHIGAPVPEG DLATHIVGPPMHETLRAMGL GESAEEAIVAYRADYSARGW AMNSLFDGIGPLLADLRTAG VRLAVATSKAEPTARRILRH FGIEQHFEVIAGASTDGSRG SKVDVLAHALAQLRPLPERL VMVGDRSHDVDGAAAHGIDT VVVGWGYGRADFIDKTSTTV VTHAATIDELREALGV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 76 GLY 2 77 GLU 3 78 SER 4 79 PRO 5 80 GLN 6 81 LEU 7 82 VAL 8 83 ILE 9 84 PHE 10 85 ASP 11 86 LEU 12 87 ASP 13 88 GLY 14 89 THR 15 90 LEU 16 91 THR 17 92 ASP 18 93 SER 19 94 ALA 20 95 ARG 21 96 GLY 22 97 ILE 23 98 VAL 24 99 SER 25 100 SER 26 101 PHE 27 102 ARG 28 103 HIS 29 104 ALA 30 105 LEU 31 106 ASN 32 107 HIS 33 108 ILE 34 109 GLY 35 110 ALA 36 111 PRO 37 112 VAL 38 113 PRO 39 114 GLU 40 115 GLY 41 116 ASP 42 117 LEU 43 118 ALA 44 119 THR 45 120 HIS 46 121 ILE 47 122 VAL 48 123 GLY 49 124 PRO 50 125 PRO 51 126 MET 52 127 HIS 53 128 GLU 54 129 THR 55 130 LEU 56 131 ARG 57 132 ALA 58 133 MET 59 134 GLY 60 135 LEU 61 136 GLY 62 137 GLU 63 138 SER 64 139 ALA 65 140 GLU 66 141 GLU 67 142 ALA 68 143 ILE 69 144 VAL 70 145 ALA 71 146 TYR 72 147 ARG 73 148 ALA 74 149 ASP 75 150 TYR 76 151 SER 77 152 ALA 78 153 ARG 79 154 GLY 80 155 TRP 81 156 ALA 82 157 MET 83 158 ASN 84 159 SER 85 160 LEU 86 161 PHE 87 162 ASP 88 163 GLY 89 164 ILE 90 165 GLY 91 166 PRO 92 167 LEU 93 168 LEU 94 169 ALA 95 170 ASP 96 171 LEU 97 172 ARG 98 173 THR 99 174 ALA 100 175 GLY 101 176 VAL 102 177 ARG 103 178 LEU 104 179 ALA 105 180 VAL 106 181 ALA 107 182 THR 108 183 SER 109 184 LYS 110 185 ALA 111 186 GLU 112 187 PRO 113 188 THR 114 189 ALA 115 190 ARG 116 191 ARG 117 192 ILE 118 193 LEU 119 194 ARG 120 195 HIS 121 196 PHE 122 197 GLY 123 198 ILE 124 199 GLU 125 200 GLN 126 201 HIS 127 202 PHE 128 203 GLU 129 204 VAL 130 205 ILE 131 206 ALA 132 207 GLY 133 208 ALA 134 209 SER 135 210 THR 136 211 ASP 137 212 GLY 138 213 SER 139 214 ARG 140 215 GLY 141 216 SER 142 217 LYS 143 218 VAL 144 219 ASP 145 220 VAL 146 221 LEU 147 222 ALA 148 223 HIS 149 224 ALA 150 225 LEU 151 226 ALA 152 227 GLN 153 228 LEU 154 229 ARG 155 230 PRO 156 231 LEU 157 232 PRO 158 233 GLU 159 234 ARG 160 235 LEU 161 236 VAL 162 237 MET 163 238 VAL 164 239 GLY 165 240 ASP 166 241 ARG 167 242 SER 168 243 HIS 169 244 ASP 170 245 VAL 171 246 ASP 172 247 GLY 173 248 ALA 174 249 ALA 175 250 ALA 176 251 HIS 177 252 GLY 178 253 ILE 179 254 ASP 180 255 THR 181 256 VAL 182 257 VAL 183 258 VAL 184 259 GLY 185 260 TRP 186 261 GLY 187 262 TYR 188 263 GLY 189 264 ARG 190 265 ALA 191 266 ASP 192 267 PHE 193 268 ILE 194 269 ASP 195 270 LYS 196 271 THR 197 272 SER 198 273 THR 199 274 THR 200 275 VAL 201 276 VAL 202 277 THR 203 278 HIS 204 279 ALA 205 280 ALA 206 281 THR 207 282 ILE 208 283 ASP 209 284 GLU 210 285 LEU 211 286 ARG 212 287 GLU 213 288 ALA 214 289 LEU 215 290 GLY 216 291 VAL 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 _ATCC_number _Gene_mnemonic $entity_1 'Mycobacterium tuberculosis' 83332 Bacteria . Mycobacterium tuberculosis '25618 / H37Rv' 'Rv2232, MTCY427.13/MTCY427.14' 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 $entity_1 'recombinant technology' . . . . plasmid pET151/D-TOPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.2 mM [U-15N] PtkA, 50 mM HEPES, 300 mM sodium chloride, 10 mM DTT, 10 mM magnesium chloride, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM [U-15N] HEPES 50 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' DTT 10 mM 'natural abundance' 'magnesium chloride' 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.2 mM [U-13C; U-15N] PtkA, 50 mM HEPES, 300 mM sodium chloride, 10 mM DTT, 10 mM magnesium chloride, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM '[U-13C; U-15N]' HEPES 50 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' DTT 10 mM 'natural abundance' 'magnesium chloride' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address 'Goddard and Kneller' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name ARIA _Version '1.2 HJ development version' loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details cryoprobe save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details cryoprobe save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details cryoprobe save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCC(CO)NH' _Sample_label $sample_2 save_ save_3D_CC(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_2D_1H-15N_HETNOE_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HETNOE' _Sample_label $sample_1 save_ save_2D_1H-15N_T1_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N T1' _Sample_label $sample_1 save_ save_2D_1H-15N_T2_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N T2' _Sample_label $sample_1 save_ save_2D_1H-15N_IPAP-HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP-HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_IPAP-HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N IPAP-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 354 . mM pH 7.5 . pH pressure 1 . mbar temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details 'backbone and sidechain resonance assignment of the C-terminal kinase core domain (KCD, 76-291) of PtkA.' loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNHA' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(COCA)CB' '3D HNCO' '3D HCC(CO)NH' '3D CC(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '2D 1H-13C HSQC aliphatic' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY aromatic' '2D 1H-15N HETNOE' '2D 1H-15N T1' '2D 1H-15N T2' '2D 1H-15N IPAP-HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 76 1 GLY HA2 H 3.96 0.02 2 2 76 1 GLY HA3 H 3.96 0.02 2 3 76 1 GLY C C 173.92 0.10 1 4 76 1 GLY CA C 45.42 0.10 1 5 77 2 GLU H H 8.16 0.02 1 6 77 2 GLU HA H 4.38 0.02 1 7 77 2 GLU HB2 H 2.00 0.02 2 8 77 2 GLU HB3 H 1.82 0.02 2 9 77 2 GLU HG2 H 2.20 0.02 2 10 77 2 GLU HG3 H 2.18 0.02 2 11 77 2 GLU C C 176.23 0.10 1 12 77 2 GLU CA C 55.84 0.10 1 13 77 2 GLU CB C 30.64 0.10 1 14 77 2 GLU CG C 36.43 0.10 1 15 77 2 GLU N N 119.77 0.05 1 16 78 3 SER H H 8.42 0.02 1 17 78 3 SER HA H 4.60 0.02 1 18 78 3 SER HB2 H 3.91 0.02 2 19 78 3 SER HB3 H 3.78 0.02 2 20 78 3 SER CA C 57.52 0.10 1 21 78 3 SER CB C 62.59 0.10 1 22 78 3 SER N N 118.28 0.05 1 23 79 4 PRO HA H 4.12 0.02 1 24 79 4 PRO HB2 H 2.02 0.02 2 25 79 4 PRO HB3 H 1.66 0.02 2 26 79 4 PRO HG2 H 1.88 0.02 2 27 79 4 PRO HG3 H 1.88 0.02 2 28 79 4 PRO HD2 H 3.78 0.02 2 29 79 4 PRO HD3 H 3.61 0.02 2 30 79 4 PRO C C 175.67 0.10 1 31 79 4 PRO CA C 63.40 0.10 1 32 79 4 PRO CB C 31.96 0.10 1 33 79 4 PRO CG C 28.00 0.10 1 34 79 4 PRO CD C 49.97 0.10 1 35 80 5 GLN H H 8.48 0.02 1 36 80 5 GLN HA H 4.44 0.02 1 37 80 5 GLN HB2 H 2.17 0.02 2 38 80 5 GLN HB3 H 2.17 0.02 2 39 80 5 GLN HG2 H 2.36 0.02 2 40 80 5 GLN HG3 H 2.36 0.02 2 41 80 5 GLN C C 176.05 0.10 1 42 80 5 GLN CA C 56.47 0.10 1 43 80 5 GLN CB C 31.32 0.10 1 44 80 5 GLN CG C 34.99 0.10 1 45 80 5 GLN N N 118.74 0.05 1 46 81 6 LEU H H 7.68 0.02 1 47 81 6 LEU HA H 5.54 0.02 1 48 81 6 LEU HB2 H 1.54 0.02 2 49 81 6 LEU HB3 H 1.54 0.02 2 50 81 6 LEU HD1 H 0.78 0.02 2 51 81 6 LEU HD2 H 0.78 0.02 2 52 81 6 LEU C C 173.70 0.10 1 53 81 6 LEU CA C 54.33 0.10 1 54 81 6 LEU CB C 45.56 0.10 1 55 81 6 LEU CD1 C 26.37 0.10 2 56 81 6 LEU CD2 C 26.37 0.10 2 57 81 6 LEU N N 124.69 0.05 1 58 82 7 VAL H H 8.94 0.02 1 59 82 7 VAL HA H 4.61 0.02 1 60 82 7 VAL HB H 1.84 0.02 1 61 82 7 VAL HG1 H 0.10 0.02 2 62 82 7 VAL HG2 H 0.69 0.02 2 63 82 7 VAL C C 173.49 0.10 1 64 82 7 VAL CA C 60.63 0.10 1 65 82 7 VAL CB C 34.35 0.10 1 66 82 7 VAL CG1 C 23.05 0.10 2 67 82 7 VAL CG2 C 22.49 0.10 2 68 82 7 VAL N N 126.91 0.05 1 69 83 8 ILE H H 8.57 0.02 1 70 83 8 ILE HA H 4.52 0.02 1 71 83 8 ILE HB H 1.75 0.02 1 72 83 8 ILE HG12 H 1.42 0.02 2 73 83 8 ILE HG13 H 1.42 0.02 2 74 83 8 ILE HG2 H 0.63 0.02 1 75 83 8 ILE HD1 H 0.57 0.02 1 76 83 8 ILE C C 173.44 0.10 1 77 83 8 ILE CA C 59.70 0.10 1 78 83 8 ILE CB C 39.14 0.10 1 79 83 8 ILE CG1 C 28.22 0.10 1 80 83 8 ILE CG2 C 19.43 0.10 1 81 83 8 ILE CD1 C 14.45 0.10 1 82 83 8 ILE N N 126.31 0.05 1 83 84 9 PHE H H 9.50 0.02 1 84 84 9 PHE HA H 5.30 0.02 1 85 84 9 PHE HB2 H 2.91 0.02 2 86 84 9 PHE HB3 H 2.91 0.02 2 87 84 9 PHE HD1 H 7.38 0.02 3 88 84 9 PHE HD2 H 7.38 0.02 3 89 84 9 PHE HE1 H 7.12 0.02 3 90 84 9 PHE HE2 H 7.12 0.02 3 91 84 9 PHE HZ H 6.82 0.02 1 92 84 9 PHE C C 177.17 0.10 1 93 84 9 PHE CA C 57.75 0.10 1 94 84 9 PHE CB C 42.05 0.10 1 95 84 9 PHE CD1 C 132.51 0.10 3 96 84 9 PHE CD2 C 132.51 0.10 3 97 84 9 PHE CE1 C 130.33 0.10 3 98 84 9 PHE CE2 C 130.33 0.10 3 99 84 9 PHE CZ C 128.42 0.10 1 100 84 9 PHE N N 123.64 0.05 1 101 85 10 ASP H H 8.58 0.02 1 102 85 10 ASP HA H 5.22 0.02 1 103 85 10 ASP HB2 H 2.40 0.02 2 104 85 10 ASP HB3 H 2.40 0.02 2 105 85 10 ASP CA C 53.36 0.10 1 106 85 10 ASP CB C 44.34 0.10 1 107 85 10 ASP N N 120.14 0.05 1 108 86 11 LEU H H 7.04 0.02 1 109 86 11 LEU CA C 56.19 0.10 1 110 86 11 LEU N N 120.70 0.05 1 111 87 12 ASP CA C 57.43 0.10 1 112 88 13 GLY H H 9.72 0.02 1 113 88 13 GLY HA2 H 5.17 0.02 2 114 88 13 GLY HA3 H 5.17 0.02 2 115 88 13 GLY C C 180.56 0.10 1 116 88 13 GLY CA C 46.84 0.10 1 117 88 13 GLY N N 116.28 0.05 1 118 89 14 THR H H 7.24 0.02 1 119 89 14 THR HA H 4.30 0.02 1 120 89 14 THR HB H 3.77 0.02 1 121 89 14 THR HG2 H 1.29 0.02 1 122 89 14 THR C C 174.36 0.10 1 123 89 14 THR CA C 64.15 0.10 1 124 89 14 THR CB C 69.13 0.10 1 125 89 14 THR CG2 C 21.81 0.10 1 126 89 14 THR N N 111.98 0.05 1 127 90 15 LEU H H 7.70 0.02 1 128 90 15 LEU C C 177.52 0.10 1 129 90 15 LEU CA C 56.48 0.10 1 130 90 15 LEU CB C 44.39 0.10 1 131 90 15 LEU N N 115.70 0.05 1 132 91 16 THR H H 7.63 0.02 1 133 91 16 THR HA H 4.90 0.02 1 134 91 16 THR HB H 4.96 0.02 1 135 91 16 THR HG2 H 0.82 0.02 1 136 91 16 THR C C 174.16 0.10 1 137 91 16 THR CA C 57.74 0.10 1 138 91 16 THR CB C 70.57 0.10 1 139 91 16 THR CG2 C 20.42 0.10 1 140 91 16 THR N N 102.64 0.05 1 141 92 17 ASP H H 8.88 0.02 1 142 92 17 ASP HA H 4.91 0.02 1 143 92 17 ASP HB2 H 2.55 0.02 2 144 92 17 ASP HB3 H 2.55 0.02 2 145 92 17 ASP C C 175.37 0.10 1 146 92 17 ASP CA C 51.43 0.10 1 147 92 17 ASP CB C 38.15 0.10 1 148 92 17 ASP N N 128.43 0.05 1 149 93 18 SER H H 8.02 0.02 1 150 93 18 SER HA H 4.54 0.02 1 151 93 18 SER C C 178.64 0.10 1 152 93 18 SER CA C 57.12 0.10 1 153 93 18 SER CB C 64.04 0.10 1 154 93 18 SER N N 114.11 0.05 1 155 94 19 ALA H H 8.64 0.02 1 156 94 19 ALA HA H 3.78 0.02 1 157 94 19 ALA HB H 1.10 0.02 1 158 94 19 ALA C C 177.90 0.10 1 159 94 19 ALA CA C 56.20 0.10 1 160 94 19 ALA CB C 18.92 0.10 1 161 94 19 ALA N N 125.59 0.05 1 162 95 20 ARG H H 8.96 0.02 1 163 95 20 ARG HA H 4.02 0.02 1 164 95 20 ARG HB2 H 1.83 0.02 2 165 95 20 ARG HB3 H 1.70 0.02 2 166 95 20 ARG HG2 H 1.65 0.02 2 167 95 20 ARG HG3 H 1.55 0.02 2 168 95 20 ARG HD2 H 3.22 0.02 2 169 95 20 ARG HD3 H 3.22 0.02 2 170 95 20 ARG C C 179.79 0.10 1 171 95 20 ARG CA C 60.08 0.10 1 172 95 20 ARG CB C 29.53 0.10 1 173 95 20 ARG CG C 27.87 0.10 1 174 95 20 ARG CD C 43.63 0.10 1 175 95 20 ARG N N 115.26 0.05 1 176 96 21 GLY H H 7.54 0.02 1 177 96 21 GLY HA2 H 4.83 0.02 2 178 96 21 GLY HA3 H 4.36 0.02 2 179 96 21 GLY C C 175.15 0.10 1 180 96 21 GLY CA C 48.97 0.10 1 181 96 21 GLY N N 107.07 0.05 1 182 97 22 ILE H H 7.57 0.02 1 183 97 22 ILE HA H 4.10 0.02 1 184 97 22 ILE HB H 1.65 0.02 1 185 97 22 ILE HG2 H 0.87 0.02 1 186 97 22 ILE HD1 H 0.87 0.02 1 187 97 22 ILE C C 178.38 0.10 1 188 97 22 ILE CA C 65.41 0.10 1 189 97 22 ILE CB C 39.53 0.10 1 190 97 22 ILE CG2 C 16.18 0.10 1 191 97 22 ILE CD1 C 16.33 0.10 1 192 97 22 ILE N N 123.26 0.05 1 193 98 23 VAL H H 9.04 0.02 1 194 98 23 VAL HA H 3.63 0.02 1 195 98 23 VAL HB H 2.17 0.02 1 196 98 23 VAL HG1 H 0.87 0.02 2 197 98 23 VAL HG2 H 1.06 0.02 2 198 98 23 VAL C C 178.02 0.10 1 199 98 23 VAL CA C 67.07 0.10 1 200 98 23 VAL CB C 31.74 0.10 1 201 98 23 VAL CG1 C 22.69 0.10 2 202 98 23 VAL CG2 C 22.04 0.10 2 203 98 23 VAL N N 117.78 0.05 1 204 99 24 SER H H 7.89 0.02 1 205 99 24 SER HA H 4.32 0.02 1 206 99 24 SER HB2 H 4.24 0.02 2 207 99 24 SER HB3 H 4.24 0.02 2 208 99 24 SER C C 179.44 0.10 1 209 99 24 SER CA C 62.52 0.10 1 210 99 24 SER CB C 63.48 0.10 1 211 99 24 SER N N 113.72 0.05 1 212 100 25 SER H H 8.85 0.02 1 213 100 25 SER HA H 4.94 0.02 1 214 100 25 SER C C 176.30 0.10 1 215 100 25 SER CA C 63.05 0.10 1 216 100 25 SER CB C 64.76 0.10 1 217 100 25 SER N N 120.36 0.05 1 218 101 26 PHE H H 9.20 0.02 1 219 101 26 PHE HA H 4.48 0.02 1 220 101 26 PHE HB2 H 3.44 0.02 2 221 101 26 PHE HB3 H 3.23 0.02 2 222 101 26 PHE HD1 H 7.18 0.02 3 223 101 26 PHE HD2 H 7.18 0.02 3 224 101 26 PHE HE1 H 7.07 0.02 3 225 101 26 PHE HE2 H 7.07 0.02 3 226 101 26 PHE HZ H 7.06 0.02 1 227 101 26 PHE C C 176.41 0.10 1 228 101 26 PHE CA C 62.27 0.10 1 229 101 26 PHE CB C 40.46 0.10 1 230 101 26 PHE CD1 C 132.29 0.10 3 231 101 26 PHE CD2 C 132.29 0.10 3 232 101 26 PHE CE1 C 131.02 0.10 3 233 101 26 PHE CE2 C 131.02 0.10 3 234 101 26 PHE CZ C 129.48 0.10 1 235 101 26 PHE N N 125.99 0.05 1 236 102 27 ARG H H 9.02 0.02 1 237 102 27 ARG HA H 3.73 0.02 1 238 102 27 ARG HB2 H 2.11 0.02 2 239 102 27 ARG HB3 H 2.11 0.02 2 240 102 27 ARG HG2 H 1.55 0.02 2 241 102 27 ARG HG3 H 1.55 0.02 2 242 102 27 ARG HD2 H 3.32 0.02 2 243 102 27 ARG HD3 H 3.32 0.02 2 244 102 27 ARG C C 178.86 0.10 1 245 102 27 ARG CA C 60.73 0.10 1 246 102 27 ARG CB C 30.12 0.10 1 247 102 27 ARG CG C 29.39 0.10 1 248 102 27 ARG CD C 43.51 0.10 1 249 102 27 ARG N N 118.71 0.05 1 250 103 28 HIS H H 8.24 0.02 1 251 103 28 HIS HA H 4.23 0.02 1 252 103 28 HIS HB2 H 3.54 0.02 2 253 103 28 HIS HB3 H 3.12 0.02 2 254 103 28 HIS C C 177.75 0.10 1 255 103 28 HIS CA C 60.50 0.10 1 256 103 28 HIS CB C 30.34 0.10 1 257 103 28 HIS N N 119.00 0.05 1 258 104 29 ALA H H 8.47 0.02 1 259 104 29 ALA HA H 3.85 0.02 1 260 104 29 ALA HB H 1.78 0.02 1 261 104 29 ALA C C 178.82 0.10 1 262 104 29 ALA CA C 55.54 0.10 1 263 104 29 ALA CB C 18.79 0.10 1 264 104 29 ALA N N 123.44 0.05 1 265 105 30 LEU H H 7.91 0.02 1 266 105 30 LEU HA H 3.92 0.02 1 267 105 30 LEU HB2 H 1.48 0.02 2 268 105 30 LEU HB3 H 1.40 0.02 2 269 105 30 LEU HG H 1.20 0.02 1 270 105 30 LEU HD1 H 0.37 0.02 2 271 105 30 LEU HD2 H 0.37 0.02 2 272 105 30 LEU C C 179.62 0.10 1 273 105 30 LEU CA C 57.41 0.10 1 274 105 30 LEU CB C 39.61 0.10 1 275 105 30 LEU CG C 27.02 0.10 1 276 105 30 LEU CD1 C 26.67 0.10 2 277 105 30 LEU CD2 C 26.67 0.10 2 278 105 30 LEU N N 115.81 0.05 1 279 106 31 ASN H H 8.41 0.02 1 280 106 31 ASN HA H 4.45 0.02 1 281 106 31 ASN HB2 H 2.85 0.02 2 282 106 31 ASN HB3 H 2.74 0.02 2 283 106 31 ASN C C 178.71 0.10 1 284 106 31 ASN CA C 56.22 0.10 1 285 106 31 ASN CB C 38.32 0.10 1 286 106 31 ASN N N 118.25 0.05 1 287 107 32 HIS H H 8.37 0.02 1 288 107 32 HIS HA H 4.09 0.02 1 289 107 32 HIS HB2 H 3.31 0.02 2 290 107 32 HIS HB3 H 2.73 0.02 2 291 107 32 HIS C C 177.17 0.10 1 292 107 32 HIS CA C 60.12 0.10 1 293 107 32 HIS CB C 30.33 0.10 1 294 107 32 HIS N N 121.03 0.05 1 295 108 33 ILE H H 7.10 0.02 1 296 108 33 ILE HA H 4.36 0.02 1 297 108 33 ILE HB H 2.25 0.02 1 298 108 33 ILE HG2 H 1.06 0.02 1 299 108 33 ILE HD1 H 0.86 0.02 1 300 108 33 ILE C C 176.36 0.10 1 301 108 33 ILE CA C 61.21 0.10 1 302 108 33 ILE CB C 38.49 0.10 1 303 108 33 ILE CG2 C 18.51 0.10 1 304 108 33 ILE CD1 C 16.37 0.10 1 305 108 33 ILE N N 106.77 0.05 1 306 109 34 GLY H H 7.83 0.02 1 307 109 34 GLY HA2 H 3.94 0.02 2 308 109 34 GLY HA3 H 3.82 0.02 2 309 109 34 GLY C C 174.11 0.10 1 310 109 34 GLY CA C 46.51 0.10 1 311 109 34 GLY N N 112.86 0.05 1 312 110 35 ALA H H 8.16 0.02 1 313 110 35 ALA HA H 4.76 0.02 1 314 110 35 ALA HB H 1.22 0.02 1 315 110 35 ALA CA C 49.23 0.10 1 316 110 35 ALA CB C 20.18 0.10 1 317 110 35 ALA N N 124.80 0.05 1 318 111 36 PRO HA H 4.35 0.02 1 319 111 36 PRO HB2 H 2.18 0.02 2 320 111 36 PRO HB3 H 1.78 0.02 2 321 111 36 PRO HG2 H 2.04 0.02 2 322 111 36 PRO HG3 H 1.97 0.02 2 323 111 36 PRO HD2 H 3.77 0.02 2 324 111 36 PRO HD3 H 3.55 0.02 2 325 111 36 PRO C C 176.09 0.10 1 326 111 36 PRO CA C 62.05 0.10 1 327 111 36 PRO CB C 31.79 0.10 1 328 111 36 PRO CG C 27.34 0.10 1 329 111 36 PRO CD C 50.20 0.10 1 330 112 37 VAL H H 8.27 0.02 1 331 112 37 VAL HA H 4.20 0.02 1 332 112 37 VAL HB H 2.02 0.02 1 333 112 37 VAL HG1 H 1.01 0.02 2 334 112 37 VAL HG2 H 1.10 0.02 2 335 112 37 VAL CA C 59.65 0.10 1 336 112 37 VAL CB C 32.91 0.10 1 337 112 37 VAL CG1 C 21.92 0.10 2 338 112 37 VAL CG2 C 21.67 0.10 2 339 112 37 VAL N N 122.51 0.05 1 340 113 38 PRO HA H 4.43 0.02 1 341 113 38 PRO HB2 H 2.34 0.02 2 342 113 38 PRO HB3 H 1.87 0.02 2 343 113 38 PRO HG2 H 2.06 0.02 2 344 113 38 PRO HG3 H 2.06 0.02 2 345 113 38 PRO HD2 H 3.95 0.02 2 346 113 38 PRO HD3 H 3.55 0.02 2 347 113 38 PRO C C 175.51 0.10 1 348 113 38 PRO CA C 62.86 0.10 1 349 113 38 PRO CB C 32.18 0.10 1 350 113 38 PRO CG C 27.42 0.10 1 351 113 38 PRO CD C 51.10 0.10 1 352 114 39 GLU H H 8.29 0.02 1 353 114 39 GLU HA H 4.33 0.02 1 354 114 39 GLU HB2 H 2.09 0.02 2 355 114 39 GLU HB3 H 1.91 0.02 2 356 114 39 GLU HG2 H 2.34 0.02 2 357 114 39 GLU HG3 H 2.30 0.02 2 358 114 39 GLU C C 176.66 0.10 1 359 114 39 GLU CA C 56.14 0.10 1 360 114 39 GLU CB C 31.17 0.10 1 361 114 39 GLU CG C 36.50 0.10 1 362 114 39 GLU N N 119.63 0.05 1 363 115 40 GLY H H 8.35 0.02 1 364 115 40 GLY HA2 H 4.22 0.02 2 365 115 40 GLY HA3 H 3.79 0.02 2 366 115 40 GLY CA C 44.28 0.10 1 367 115 40 GLY N N 108.17 0.05 1 368 116 41 ASP HA H 4.61 0.02 1 369 116 41 ASP HB2 H 2.82 0.02 2 370 116 41 ASP HB3 H 2.60 0.02 2 371 116 41 ASP C C 176.97 0.10 1 372 116 41 ASP CA C 53.81 0.10 1 373 116 41 ASP CB C 40.53 0.10 1 374 117 42 LEU H H 8.36 0.02 1 375 117 42 LEU HA H 4.11 0.02 1 376 117 42 LEU HB2 H 1.79 0.02 2 377 117 42 LEU HB3 H 1.23 0.02 2 378 117 42 LEU HG H 1.02 0.02 1 379 117 42 LEU HD1 H 0.77 0.02 2 380 117 42 LEU HD2 H 0.77 0.02 2 381 117 42 LEU C C 178.39 0.10 1 382 117 42 LEU CA C 56.87 0.10 1 383 117 42 LEU CB C 42.75 0.10 1 384 117 42 LEU CG C 25.86 0.10 1 385 117 42 LEU CD1 C 25.72 0.10 2 386 117 42 LEU CD2 C 25.72 0.10 2 387 117 42 LEU N N 125.35 0.05 1 388 118 43 ALA H H 8.45 0.02 1 389 118 43 ALA HA H 3.63 0.02 1 390 118 43 ALA HB H 1.11 0.02 1 391 118 43 ALA C C 178.78 0.10 1 392 118 43 ALA CA C 55.63 0.10 1 393 118 43 ALA CB C 18.11 0.10 1 394 118 43 ALA N N 122.27 0.05 1 395 119 44 THR H H 7.60 0.02 1 396 119 44 THR HA H 4.10 0.02 1 397 119 44 THR HB H 4.10 0.02 1 398 119 44 THR HG2 H 1.20 0.02 1 399 119 44 THR C C 176.18 0.10 1 400 119 44 THR CA C 64.72 0.10 1 401 119 44 THR CB C 68.82 0.10 1 402 119 44 THR CG2 C 21.76 0.10 1 403 119 44 THR N N 109.09 0.05 1 404 120 45 HIS H H 7.41 0.02 1 405 120 45 HIS HA H 4.53 0.02 1 406 120 45 HIS HB2 H 3.02 0.02 2 407 120 45 HIS HB3 H 3.02 0.02 2 408 120 45 HIS HD2 H 6.77 0.02 1 409 120 45 HIS C C 177.67 0.10 1 410 120 45 HIS CA C 58.61 0.10 1 411 120 45 HIS CB C 32.08 0.10 1 412 120 45 HIS CD2 C 119.16 0.10 1 413 120 45 HIS N N 119.05 0.05 1 414 121 46 ILE H H 7.80 0.02 1 415 121 46 ILE HA H 4.33 0.02 1 416 121 46 ILE HB H 1.55 0.02 1 417 121 46 ILE HG2 H 0.16 0.02 1 418 121 46 ILE HD1 H -0.01 0.02 1 419 121 46 ILE CA C 61.34 0.10 1 420 121 46 ILE CB C 39.13 0.10 1 421 121 46 ILE CG2 C 16.52 0.10 1 422 121 46 ILE CD1 C 14.53 0.10 1 423 121 46 ILE N N 106.86 0.05 1 424 122 47 VAL H H 7.92 0.02 1 425 122 47 VAL CB C 28.78 0.10 1 426 122 47 VAL N N 122.61 0.05 1 427 126 51 MET HE H 2.07 0.02 1 428 126 51 MET CE C 16.90 0.10 1 429 127 52 HIS HA H 4.10 0.02 1 430 127 52 HIS HB2 H 3.01 0.02 2 431 127 52 HIS HB3 H 3.01 0.02 2 432 127 52 HIS C C 177.18 0.10 1 433 127 52 HIS CA C 59.47 0.10 1 434 127 52 HIS CB C 29.76 0.10 1 435 128 53 GLU H H 6.52 0.02 1 436 128 53 GLU HA H 4.02 0.02 1 437 128 53 GLU HB2 H 1.89 0.02 2 438 128 53 GLU HB3 H 1.89 0.02 2 439 128 53 GLU HG2 H 2.05 0.02 2 440 128 53 GLU HG3 H 2.05 0.02 2 441 128 53 GLU C C 179.28 0.10 1 442 128 53 GLU CA C 58.92 0.10 1 443 128 53 GLU CB C 29.22 0.10 1 444 128 53 GLU CG C 36.41 0.10 1 445 128 53 GLU N N 119.03 0.05 1 446 129 54 THR H H 7.47 0.02 1 447 129 54 THR HA H 3.76 0.02 1 448 129 54 THR HB H 4.39 0.02 1 449 129 54 THR HG2 H 1.00 0.02 1 450 129 54 THR C C 177.23 0.10 1 451 129 54 THR CA C 66.08 0.10 1 452 129 54 THR CB C 67.92 0.10 1 453 129 54 THR CG2 C 22.83 0.10 1 454 129 54 THR N N 119.66 0.05 1 455 130 55 LEU H H 8.39 0.02 1 456 130 55 LEU HA H 4.15 0.02 1 457 130 55 LEU HB2 H 1.78 0.02 2 458 130 55 LEU HB3 H 1.78 0.02 2 459 130 55 LEU HG H 0.85 0.02 1 460 130 55 LEU HD1 H 0.70 0.02 2 461 130 55 LEU HD2 H 0.70 0.02 2 462 130 55 LEU C C 179.32 0.10 1 463 130 55 LEU CA C 58.16 0.10 1 464 130 55 LEU CB C 41.91 0.10 1 465 130 55 LEU CG C 23.75 0.10 1 466 130 55 LEU CD1 C 26.72 0.10 2 467 130 55 LEU CD2 C 26.72 0.10 2 468 130 55 LEU N N 118.98 0.05 1 469 131 56 ARG H H 7.67 0.02 1 470 131 56 ARG HA H 4.05 0.02 1 471 131 56 ARG HB2 H 1.85 0.02 2 472 131 56 ARG HB3 H 1.85 0.02 2 473 131 56 ARG HG2 H 1.92 0.02 2 474 131 56 ARG HG3 H 1.92 0.02 2 475 131 56 ARG HD2 H 3.12 0.02 2 476 131 56 ARG HD3 H 3.12 0.02 2 477 131 56 ARG C C 177.70 0.10 1 478 131 56 ARG CA C 59.30 0.10 1 479 131 56 ARG CB C 30.06 0.10 1 480 131 56 ARG CG C 29.15 0.10 1 481 131 56 ARG CD C 43.54 0.10 1 482 131 56 ARG N N 117.19 0.05 1 483 132 57 ALA H H 7.77 0.02 1 484 132 57 ALA HA H 4.57 0.02 1 485 132 57 ALA HB H 1.54 0.02 1 486 132 57 ALA C C 178.35 0.10 1 487 132 57 ALA CA C 52.80 0.10 1 488 132 57 ALA CB C 18.88 0.10 1 489 132 57 ALA N N 122.67 0.05 1 490 133 58 MET H H 7.39 0.02 1 491 133 58 MET HA H 4.42 0.02 1 492 133 58 MET HB2 H 2.40 0.02 2 493 133 58 MET HB3 H 2.40 0.02 2 494 133 58 MET HG2 H 2.69 0.02 2 495 133 58 MET HG3 H 2.94 0.02 2 496 133 58 MET HE H 2.12 0.02 1 497 133 58 MET CA C 56.82 0.10 1 498 133 58 MET CB C 34.52 0.10 1 499 133 58 MET CG C 32.74 0.10 1 500 133 58 MET CE C 16.96 0.10 1 501 133 58 MET N N 116.72 0.05 1 502 134 59 GLY H H 8.36 0.02 1 503 134 59 GLY HA2 H 4.04 0.02 2 504 134 59 GLY HA3 H 4.04 0.02 2 505 134 59 GLY C C 175.82 0.10 1 506 134 59 GLY CA C 46.70 0.10 1 507 134 59 GLY N N 109.37 0.05 1 508 135 60 LEU H H 8.66 0.02 1 509 135 60 LEU HA H 4.26 0.02 1 510 135 60 LEU HB2 H 1.40 0.02 2 511 135 60 LEU HB3 H 1.40 0.02 2 512 135 60 LEU HD1 H 0.80 0.02 2 513 135 60 LEU HD2 H 0.80 0.02 2 514 135 60 LEU C C 178.04 0.10 1 515 135 60 LEU CA C 54.44 0.10 1 516 135 60 LEU CB C 42.05 0.10 1 517 135 60 LEU CD1 C 25.65 0.10 2 518 135 60 LEU CD2 C 25.65 0.10 2 519 135 60 LEU N N 118.60 0.05 1 520 136 61 GLY H H 8.66 0.02 1 521 136 61 GLY HA2 H 3.76 0.02 2 522 136 61 GLY HA3 H 3.76 0.02 2 523 136 61 GLY CA C 46.17 0.10 1 524 136 61 GLY N N 109.31 0.05 1 525 137 62 GLU HA H 4.28 0.02 1 526 137 62 GLU HB2 H 2.21 0.02 2 527 137 62 GLU HB3 H 2.10 0.02 2 528 137 62 GLU HG2 H 2.42 0.02 2 529 137 62 GLU HG3 H 2.42 0.02 2 530 137 62 GLU C C 178.67 0.10 1 531 137 62 GLU CA C 58.93 0.10 1 532 137 62 GLU CB C 29.20 0.10 1 533 137 62 GLU CG C 36.47 0.10 1 534 138 63 SER H H 8.21 0.02 1 535 138 63 SER HA H 4.63 0.02 1 536 138 63 SER HB2 H 4.12 0.02 2 537 138 63 SER HB3 H 3.95 0.02 2 538 138 63 SER C C 175.02 0.10 1 539 138 63 SER CA C 60.39 0.10 1 540 138 63 SER CB C 63.31 0.10 1 541 138 63 SER N N 114.82 0.05 1 542 139 64 ALA H H 7.80 0.02 1 543 139 64 ALA HA H 3.82 0.02 1 544 139 64 ALA HB H 1.47 0.02 1 545 139 64 ALA C C 179.00 0.10 1 546 139 64 ALA CA C 55.65 0.10 1 547 139 64 ALA CB C 19.07 0.10 1 548 139 64 ALA N N 123.47 0.05 1 549 140 65 GLU H H 7.94 0.02 1 550 140 65 GLU HA H 4.09 0.02 1 551 140 65 GLU HB2 H 2.11 0.02 2 552 140 65 GLU HB3 H 2.20 0.02 2 553 140 65 GLU HG2 H 2.51 0.02 2 554 140 65 GLU HG3 H 2.40 0.02 2 555 140 65 GLU C C 179.27 0.10 1 556 140 65 GLU CA C 58.89 0.10 1 557 140 65 GLU CB C 28.42 0.10 1 558 140 65 GLU CG C 35.92 0.10 1 559 140 65 GLU N N 114.04 0.05 1 560 141 66 GLU H H 7.53 0.02 1 561 141 66 GLU HA H 4.19 0.02 1 562 141 66 GLU HB2 H 2.24 0.02 2 563 141 66 GLU HB3 H 2.12 0.02 2 564 141 66 GLU HG2 H 2.39 0.02 2 565 141 66 GLU HG3 H 2.39 0.02 2 566 141 66 GLU C C 179.34 0.10 1 567 141 66 GLU CA C 58.77 0.10 1 568 141 66 GLU CB C 29.64 0.10 1 569 141 66 GLU CG C 36.49 0.10 1 570 141 66 GLU N N 119.13 0.05 1 571 142 67 ALA H H 8.08 0.02 1 572 142 67 ALA HA H 4.12 0.02 1 573 142 67 ALA HB H 1.44 0.02 1 574 142 67 ALA C C 178.81 0.10 1 575 142 67 ALA CA C 55.21 0.10 1 576 142 67 ALA CB C 17.96 0.10 1 577 142 67 ALA N N 122.34 0.05 1 578 143 68 ILE H H 8.33 0.02 1 579 143 68 ILE HA H 3.63 0.02 1 580 143 68 ILE HB H 1.98 0.02 1 581 143 68 ILE HG2 H 0.94 0.02 1 582 143 68 ILE HD1 H 0.90 0.02 1 583 143 68 ILE C C 177.65 0.10 1 584 143 68 ILE CA C 65.50 0.10 1 585 143 68 ILE CB C 38.08 0.10 1 586 143 68 ILE CG2 C 17.51 0.10 1 587 143 68 ILE CD1 C 14.12 0.10 1 588 143 68 ILE N N 119.41 0.05 1 589 144 69 VAL H H 7.54 0.02 1 590 144 69 VAL HA H 3.64 0.02 1 591 144 69 VAL HB H 2.18 0.02 1 592 144 69 VAL HG1 H 0.99 0.02 2 593 144 69 VAL HG2 H 1.15 0.02 2 594 144 69 VAL C C 178.99 0.10 1 595 144 69 VAL CA C 66.93 0.10 1 596 144 69 VAL CB C 31.90 0.10 1 597 144 69 VAL CG1 C 21.12 0.10 2 598 144 69 VAL CG2 C 22.79 0.10 2 599 144 69 VAL N N 120.29 0.05 1 600 145 70 ALA H H 7.97 0.02 1 601 145 70 ALA HA H 4.20 0.02 1 602 145 70 ALA HB H 1.28 0.02 1 603 145 70 ALA C C 180.31 0.10 1 604 145 70 ALA CA C 55.03 0.10 1 605 145 70 ALA CB C 18.15 0.10 1 606 145 70 ALA N N 122.38 0.05 1 607 146 71 TYR H H 9.10 0.02 1 608 146 71 TYR HA H 4.07 0.02 1 609 146 71 TYR HB2 H 3.25 0.02 2 610 146 71 TYR HB3 H 2.99 0.02 2 611 146 71 TYR HD1 H 6.85 0.02 3 612 146 71 TYR HD2 H 6.85 0.02 3 613 146 71 TYR HE1 H 7.02 0.02 3 614 146 71 TYR HE2 H 7.02 0.02 3 615 146 71 TYR C C 176.55 0.10 1 616 146 71 TYR CA C 62.33 0.10 1 617 146 71 TYR CB C 38.34 0.10 1 618 146 71 TYR CD1 C 132.56 0.10 3 619 146 71 TYR CD2 C 132.56 0.10 3 620 146 71 TYR CE1 C 118.81 0.10 3 621 146 71 TYR CE2 C 118.81 0.10 3 622 146 71 TYR N N 120.29 0.05 1 623 147 72 ARG H H 8.68 0.02 1 624 147 72 ARG HA H 3.87 0.02 1 625 147 72 ARG HB2 H 2.03 0.02 2 626 147 72 ARG HB3 H 2.03 0.02 2 627 147 72 ARG HG2 H 1.92 0.02 2 628 147 72 ARG HG3 H 1.92 0.02 2 629 147 72 ARG HD2 H 3.25 0.02 2 630 147 72 ARG HD3 H 3.25 0.02 2 631 147 72 ARG C C 179.75 0.10 1 632 147 72 ARG CA C 60.17 0.10 1 633 147 72 ARG CB C 30.26 0.10 1 634 147 72 ARG CG C 28.72 0.10 1 635 147 72 ARG CD C 44.05 0.10 1 636 147 72 ARG N N 118.67 0.05 1 637 148 73 ALA H H 8.24 0.02 1 638 148 73 ALA HA H 4.15 0.02 1 639 148 73 ALA HB H 1.51 0.02 1 640 148 73 ALA C C 180.29 0.10 1 641 148 73 ALA CA C 55.09 0.10 1 642 148 73 ALA CB C 18.18 0.10 1 643 148 73 ALA N N 121.77 0.05 1 644 149 74 ASP H H 8.10 0.02 1 645 149 74 ASP HA H 4.33 0.02 1 646 149 74 ASP HB2 H 2.35 0.02 2 647 149 74 ASP HB3 H 2.35 0.02 2 648 149 74 ASP C C 179.04 0.10 1 649 149 74 ASP CA C 57.68 0.10 1 650 149 74 ASP CB C 44.33 0.10 1 651 149 74 ASP N N 119.03 0.05 1 652 150 75 TYR H H 9.81 0.02 1 653 150 75 TYR HA H 3.94 0.02 1 654 150 75 TYR HB2 H 2.59 0.02 2 655 150 75 TYR HB3 H 2.47 0.02 2 656 150 75 TYR HD1 H 7.19 0.02 3 657 150 75 TYR HD2 H 7.19 0.02 3 658 150 75 TYR HE1 H 6.57 0.02 3 659 150 75 TYR HE2 H 6.57 0.02 3 660 150 75 TYR C C 177.81 0.10 1 661 150 75 TYR CA C 64.37 0.10 1 662 150 75 TYR CB C 37.84 0.10 1 663 150 75 TYR CD1 C 133.28 0.10 3 664 150 75 TYR CD2 C 133.28 0.10 3 665 150 75 TYR CE1 C 118.36 0.10 3 666 150 75 TYR CE2 C 118.36 0.10 3 667 150 75 TYR N N 125.14 0.05 1 668 151 76 SER H H 8.03 0.02 1 669 151 76 SER HA H 3.98 0.02 1 670 151 76 SER HB2 H 3.96 0.02 2 671 151 76 SER HB3 H 3.96 0.02 2 672 151 76 SER C C 175.28 0.10 1 673 151 76 SER CA C 61.42 0.10 1 674 151 76 SER CB C 63.17 0.10 1 675 151 76 SER N N 111.44 0.05 1 676 152 77 ALA H H 7.53 0.02 1 677 152 77 ALA HA H 4.47 0.02 1 678 152 77 ALA HB H 1.48 0.02 1 679 152 77 ALA C C 179.06 0.10 1 680 152 77 ALA CA C 54.07 0.10 1 681 152 77 ALA CB C 20.03 0.10 1 682 152 77 ALA N N 120.14 0.05 1 683 153 78 ARG H H 8.22 0.02 1 684 153 78 ARG HA H 4.37 0.02 1 685 153 78 ARG HB2 H 1.77 0.02 2 686 153 78 ARG HB3 H 1.57 0.02 2 687 153 78 ARG HG2 H 1.45 0.02 2 688 153 78 ARG HG3 H 1.45 0.02 2 689 153 78 ARG C C 176.82 0.10 1 690 153 78 ARG CA C 57.87 0.10 1 691 153 78 ARG CB C 33.91 0.10 1 692 153 78 ARG CG C 26.90 0.10 1 693 153 78 ARG N N 115.80 0.05 1 694 154 79 GLY H H 8.08 0.02 1 695 154 79 GLY HA2 H 3.85 0.02 2 696 154 79 GLY HA3 H 3.85 0.02 2 697 154 79 GLY C C 176.44 0.10 1 698 154 79 GLY CA C 48.41 0.10 1 699 154 79 GLY N N 110.26 0.05 1 700 155 80 TRP H H 8.43 0.02 1 701 155 80 TRP HA H 3.48 0.02 1 702 155 80 TRP HB2 H 2.44 0.02 2 703 155 80 TRP HB3 H 2.44 0.02 2 704 155 80 TRP HD1 H 7.08 0.02 1 705 155 80 TRP HE1 H 9.38 0.02 1 706 155 80 TRP HE3 H 7.00 0.02 1 707 155 80 TRP HZ2 H 7.20 0.02 1 708 155 80 TRP HZ3 H 6.12 0.02 1 709 155 80 TRP HH2 H 6.57 0.02 1 710 155 80 TRP CA C 58.68 0.10 1 711 155 80 TRP CB C 26.48 0.10 1 712 155 80 TRP CD1 C 127.75 0.10 1 713 155 80 TRP CE3 C 119.59 0.10 1 714 155 80 TRP CZ2 C 114.23 0.10 1 715 155 80 TRP CZ3 C 120.42 0.10 1 716 155 80 TRP CH2 C 123.87 0.10 1 717 155 80 TRP N N 121.14 0.05 1 718 155 80 TRP NE1 N 128.45 0.05 1 719 156 81 ALA HA H 3.08 0.02 1 720 156 81 ALA HB H -0.24 0.02 1 721 156 81 ALA C C 178.30 0.10 1 722 156 81 ALA CA C 51.56 0.10 1 723 156 81 ALA CB C 16.75 0.10 1 724 157 82 MET H H 7.30 0.02 1 725 157 82 MET HA H 4.27 0.02 1 726 157 82 MET HB2 H 2.37 0.02 2 727 157 82 MET HB3 H 2.37 0.02 2 728 157 82 MET HE H 2.02 0.02 1 729 157 82 MET C C 173.84 0.10 1 730 157 82 MET CA C 55.34 0.10 1 731 157 82 MET CB C 30.59 0.10 1 732 157 82 MET CE C 17.04 0.10 1 733 157 82 MET N N 121.50 0.05 1 734 158 83 ASN H H 7.24 0.02 1 735 158 83 ASN HA H 4.90 0.02 1 736 158 83 ASN HB2 H 2.62 0.02 2 737 158 83 ASN HB3 H 2.62 0.02 2 738 158 83 ASN C C 173.69 0.10 1 739 158 83 ASN CA C 51.72 0.10 1 740 158 83 ASN CB C 41.70 0.10 1 741 158 83 ASN N N 119.88 0.05 1 742 159 84 SER H H 8.15 0.02 1 743 159 84 SER HA H 4.31 0.02 1 744 159 84 SER HB2 H 3.92 0.02 2 745 159 84 SER HB3 H 3.69 0.02 2 746 159 84 SER C C 172.50 0.10 1 747 159 84 SER CA C 58.13 0.10 1 748 159 84 SER CB C 64.80 0.10 1 749 159 84 SER N N 115.69 0.05 1 750 160 85 LEU H H 8.36 0.02 1 751 160 85 LEU HA H 4.22 0.02 1 752 160 85 LEU HB2 H 1.28 0.02 2 753 160 85 LEU HB3 H 1.44 0.02 2 754 160 85 LEU HG H 0.87 0.02 1 755 160 85 LEU HD1 H 0.62 0.02 2 756 160 85 LEU HD2 H 0.62 0.02 2 757 160 85 LEU C C 178.82 0.10 1 758 160 85 LEU CA C 54.50 0.10 1 759 160 85 LEU CB C 42.51 0.10 1 760 160 85 LEU CG C 25.37 0.10 1 761 160 85 LEU CD1 C 24.05 0.10 2 762 160 85 LEU CD2 C 24.05 0.10 2 763 160 85 LEU N N 122.33 0.05 1 764 161 86 PHE H H 7.34 0.02 1 765 161 86 PHE HA H 4.25 0.02 1 766 161 86 PHE HB2 H 2.62 0.02 2 767 161 86 PHE HB3 H 2.32 0.02 2 768 161 86 PHE HD1 H 7.04 0.02 3 769 161 86 PHE HD2 H 7.04 0.02 3 770 161 86 PHE HZ H 7.04 0.02 1 771 161 86 PHE C C 176.20 0.10 1 772 161 86 PHE CA C 60.63 0.10 1 773 161 86 PHE CB C 38.98 0.10 1 774 161 86 PHE CD1 C 132.13 0.10 3 775 161 86 PHE CD2 C 132.13 0.10 3 776 161 86 PHE CZ C 128.81 0.10 1 777 161 86 PHE N N 122.22 0.05 1 778 162 87 ASP H H 8.60 0.02 1 779 162 87 ASP HA H 4.28 0.02 1 780 162 87 ASP HB2 H 2.55 0.02 2 781 162 87 ASP HB3 H 2.47 0.02 2 782 162 87 ASP C C 176.56 0.10 1 783 162 87 ASP CA C 56.04 0.10 1 784 162 87 ASP CB C 40.95 0.10 1 785 162 87 ASP N N 122.05 0.05 1 786 163 88 GLY H H 8.43 0.02 1 787 163 88 GLY HA2 H 4.16 0.02 2 788 163 88 GLY HA3 H 3.58 0.02 2 789 163 88 GLY C C 175.46 0.10 1 790 163 88 GLY CA C 45.47 0.10 1 791 163 88 GLY N N 110.24 0.05 1 792 164 89 ILE H H 7.63 0.02 1 793 164 89 ILE HA H 3.79 0.02 1 794 164 89 ILE HB H 2.31 0.02 1 795 164 89 ILE HG12 H 1.94 0.02 2 796 164 89 ILE HG13 H 1.48 0.02 2 797 164 89 ILE HG2 H 0.92 0.02 1 798 164 89 ILE HD1 H 0.81 0.02 1 799 164 89 ILE C C 177.02 0.10 1 800 164 89 ILE CA C 61.23 0.10 1 801 164 89 ILE CB C 35.45 0.10 1 802 164 89 ILE CG1 C 27.50 0.10 1 803 164 89 ILE CG2 C 19.11 0.10 1 804 164 89 ILE CD1 C 7.82 0.10 1 805 164 89 ILE N N 123.34 0.05 1 806 165 90 GLY H H 9.26 0.02 1 807 165 90 GLY HA2 H 4.16 0.02 2 808 165 90 GLY HA3 H 3.61 0.02 2 809 165 90 GLY CA C 48.56 0.10 1 810 165 90 GLY N N 107.12 0.05 1 811 166 91 PRO HA H 4.23 0.02 1 812 166 91 PRO HB2 H 2.37 0.02 2 813 166 91 PRO HB3 H 2.37 0.02 2 814 166 91 PRO HG2 H 1.86 0.02 2 815 166 91 PRO HG3 H 1.86 0.02 2 816 166 91 PRO HD2 H 3.62 0.02 2 817 166 91 PRO HD3 H 3.33 0.02 2 818 166 91 PRO C C 177.77 0.10 1 819 166 91 PRO CA C 64.71 0.10 1 820 166 91 PRO CB C 31.64 0.10 1 821 166 91 PRO CG C 27.86 0.10 1 822 166 91 PRO CD C 51.20 0.10 1 823 167 92 LEU H H 7.03 0.02 1 824 167 92 LEU HA H 3.96 0.02 1 825 167 92 LEU HB2 H 2.22 0.02 2 826 167 92 LEU HB3 H 2.22 0.02 2 827 167 92 LEU HG H 1.50 0.02 1 828 167 92 LEU HD1 H 0.95 0.02 2 829 167 92 LEU HD2 H 0.95 0.02 2 830 167 92 LEU C C 177.69 0.10 1 831 167 92 LEU CA C 58.77 0.10 1 832 167 92 LEU CB C 41.66 0.10 1 833 167 92 LEU CG C 27.36 0.10 1 834 167 92 LEU CD1 C 27.27 0.10 2 835 167 92 LEU CD2 C 27.27 0.10 2 836 167 92 LEU N N 116.98 0.05 1 837 168 93 LEU H H 8.00 0.02 1 838 168 93 LEU HA H 3.68 0.02 1 839 168 93 LEU HD1 H 0.85 0.02 2 840 168 93 LEU HD2 H 0.85 0.02 2 841 168 93 LEU C C 178.16 0.10 1 842 168 93 LEU CA C 57.73 0.10 1 843 168 93 LEU CB C 41.47 0.10 1 844 168 93 LEU CD1 C 28.54 0.10 2 845 168 93 LEU CD2 C 28.54 0.10 2 846 168 93 LEU N N 116.93 0.05 1 847 169 94 ALA H H 7.42 0.02 1 848 169 94 ALA HA H 3.59 0.02 1 849 169 94 ALA HB H 1.42 0.02 1 850 169 94 ALA C C 180.51 0.10 1 851 169 94 ALA CA C 55.06 0.10 1 852 169 94 ALA CB C 17.90 0.10 1 853 169 94 ALA N N 118.67 0.05 1 854 170 95 ASP H H 8.42 0.02 1 855 170 95 ASP HA H 4.39 0.02 1 856 170 95 ASP HB2 H 2.84 0.02 2 857 170 95 ASP HB3 H 2.61 0.02 2 858 170 95 ASP C C 180.17 0.10 1 859 170 95 ASP CA C 57.42 0.10 1 860 170 95 ASP CB C 39.42 0.10 1 861 170 95 ASP N N 119.92 0.05 1 862 171 96 LEU H H 8.58 0.02 1 863 171 96 LEU HA H 3.98 0.02 1 864 171 96 LEU HB2 H 2.18 0.02 2 865 171 96 LEU HB3 H 2.18 0.02 2 866 171 96 LEU HG H 1.30 0.02 1 867 171 96 LEU HD1 H 1.02 0.02 2 868 171 96 LEU HD2 H 0.90 0.02 2 869 171 96 LEU C C 178.48 0.10 1 870 171 96 LEU CA C 58.35 0.10 1 871 171 96 LEU CB C 42.22 0.10 1 872 171 96 LEU CD1 C 27.15 0.10 2 873 171 96 LEU CD2 C 24.43 0.10 2 874 171 96 LEU N N 123.24 0.05 1 875 172 97 ARG H H 7.91 0.02 1 876 172 97 ARG HA H 4.30 0.02 1 877 172 97 ARG HB2 H 1.94 0.02 2 878 172 97 ARG HB3 H 1.94 0.02 2 879 172 97 ARG C C 182.01 0.10 1 880 172 97 ARG CA C 57.63 0.10 1 881 172 97 ARG CB C 27.56 0.10 1 882 172 97 ARG N N 118.21 0.05 1 883 173 98 THR H H 8.82 0.02 1 884 173 98 THR HA H 3.94 0.02 1 885 173 98 THR HB H 4.31 0.02 1 886 173 98 THR HG2 H 1.28 0.02 1 887 173 98 THR C C 175.50 0.10 1 888 173 98 THR CA C 66.70 0.10 1 889 173 98 THR CB C 68.40 0.10 1 890 173 98 THR CG2 C 22.36 0.10 1 891 173 98 THR N N 121.51 0.05 1 892 174 99 ALA H H 7.55 0.02 1 893 174 99 ALA HA H 4.36 0.02 1 894 174 99 ALA HB H 1.56 0.02 1 895 174 99 ALA C C 177.35 0.10 1 896 174 99 ALA CA C 52.63 0.10 1 897 174 99 ALA CB C 18.72 0.10 1 898 174 99 ALA N N 121.81 0.05 1 899 175 100 GLY H H 8.00 0.02 1 900 175 100 GLY HA2 H 4.20 0.02 2 901 175 100 GLY HA3 H 3.74 0.02 2 902 175 100 GLY C C 174.37 0.10 1 903 175 100 GLY CA C 45.43 0.10 1 904 175 100 GLY N N 107.39 0.05 1 905 176 101 VAL H H 8.11 0.02 1 906 176 101 VAL HA H 3.64 0.02 1 907 176 101 VAL HB H 1.80 0.02 1 908 176 101 VAL HG1 H 0.83 0.02 2 909 176 101 VAL HG2 H 0.99 0.02 2 910 176 101 VAL C C 176.05 0.10 1 911 176 101 VAL CA C 63.52 0.10 1 912 176 101 VAL CB C 32.18 0.10 1 913 176 101 VAL CG1 C 21.79 0.10 2 914 176 101 VAL CG2 C 22.01 0.10 2 915 176 101 VAL N N 124.11 0.05 1 916 177 102 ARG H H 7.74 0.02 1 917 177 102 ARG HA H 4.36 0.02 1 918 177 102 ARG HB2 H 2.06 0.02 2 919 177 102 ARG HB3 H 2.06 0.02 2 920 177 102 ARG C C 175.07 0.10 1 921 177 102 ARG CA C 56.70 0.10 1 922 177 102 ARG CB C 33.75 0.10 1 923 177 102 ARG N N 128.50 0.05 1 924 178 103 LEU H H 9.36 0.02 1 925 178 103 LEU HA H 5.89 0.02 1 926 178 103 LEU HB2 H 2.13 0.02 2 927 178 103 LEU HB3 H 2.13 0.02 2 928 178 103 LEU HD1 H 0.75 0.02 2 929 178 103 LEU HD2 H 0.75 0.02 2 930 178 103 LEU C C 176.30 0.10 1 931 178 103 LEU CA C 53.34 0.10 1 932 178 103 LEU CB C 46.41 0.10 1 933 178 103 LEU CD1 C 26.41 0.10 2 934 178 103 LEU CD2 C 26.41 0.10 2 935 178 103 LEU N N 121.33 0.05 1 936 179 104 ALA H H 9.06 0.02 1 937 179 104 ALA HA H 5.69 0.02 1 938 179 104 ALA HB H 1.39 0.02 1 939 179 104 ALA C C 175.10 0.10 1 940 179 104 ALA CA C 50.30 0.10 1 941 179 104 ALA CB C 24.74 0.10 1 942 179 104 ALA N N 121.95 0.05 1 943 180 105 VAL H H 8.18 0.02 1 944 180 105 VAL HA H 5.36 0.02 1 945 180 105 VAL HB H 1.38 0.02 1 946 180 105 VAL HG1 H 0.00 0.02 2 947 180 105 VAL HG2 H 0.68 0.02 2 948 180 105 VAL C C 173.88 0.10 1 949 180 105 VAL CA C 59.98 0.10 1 950 180 105 VAL CB C 35.97 0.10 1 951 180 105 VAL CG1 C 21.43 0.10 2 952 180 105 VAL CG2 C 21.72 0.10 2 953 180 105 VAL N N 120.17 0.05 1 954 181 106 ALA H H 8.36 0.02 1 955 181 106 ALA HA H 5.32 0.02 1 956 181 106 ALA HB H 0.96 0.02 1 957 181 106 ALA CA C 50.26 0.10 1 958 181 106 ALA CB C 21.02 0.10 1 959 181 106 ALA N N 127.98 0.05 1 960 182 107 THR H H 8.83 0.02 1 961 182 107 THR HA H 5.16 0.02 1 962 182 107 THR HB H 3.96 0.02 1 963 182 107 THR CA C 58.53 0.10 1 964 182 107 THR CB C 70.25 0.10 1 965 182 107 THR N N 116.92 0.05 1 966 184 109 LYS CA C 56.60 0.10 1 967 184 109 LYS CB C 34.39 0.10 1 968 185 110 ALA H H 8.59 0.02 1 969 185 110 ALA HA H 4.34 0.02 1 970 185 110 ALA HB H 1.55 0.02 1 971 185 110 ALA C C 179.49 0.10 1 972 185 110 ALA CA C 52.80 0.10 1 973 185 110 ALA CB C 19.29 0.10 1 974 185 110 ALA N N 124.33 0.05 1 975 186 111 GLU H H 9.14 0.02 1 976 186 111 GLU HA H 3.76 0.02 1 977 186 111 GLU HB2 H 2.21 0.02 2 978 186 111 GLU HB3 H 2.21 0.02 2 979 186 111 GLU CA C 62.30 0.10 1 980 186 111 GLU CB C 27.88 0.10 1 981 186 111 GLU N N 124.32 0.05 1 982 187 112 PRO HA H 4.28 0.02 1 983 187 112 PRO HB2 H 2.34 0.02 2 984 187 112 PRO HB3 H 1.88 0.02 2 985 187 112 PRO HG2 H 2.08 0.02 2 986 187 112 PRO HG3 H 2.04 0.02 2 987 187 112 PRO HD2 H 3.92 0.02 2 988 187 112 PRO HD3 H 3.71 0.02 2 989 187 112 PRO CA C 66.11 0.10 1 990 187 112 PRO CB C 30.70 0.10 1 991 187 112 PRO CG C 28.65 0.10 1 992 187 112 PRO CD C 50.27 0.10 1 993 189 114 ALA HA H 3.83 0.02 1 994 189 114 ALA HB H 1.26 0.02 1 995 189 114 ALA CA C 55.65 0.10 1 996 189 114 ALA CB C 18.78 0.10 1 997 190 115 ARG H H 8.53 0.02 1 998 190 115 ARG HA H 3.71 0.02 1 999 190 115 ARG HB2 H 1.69 0.02 2 1000 190 115 ARG HB3 H 1.69 0.02 2 1001 190 115 ARG C C 177.18 0.10 1 1002 190 115 ARG CA C 61.57 0.10 1 1003 190 115 ARG CB C 29.79 0.10 1 1004 190 115 ARG CG C 30.71 0.10 1 1005 190 115 ARG N N 115.46 0.05 1 1006 191 116 ARG H H 7.62 0.02 1 1007 191 116 ARG HA H 3.72 0.02 1 1008 191 116 ARG CA C 59.81 0.10 1 1009 191 116 ARG N N 119.38 0.05 1 1010 192 117 ILE H H 7.93 0.02 1 1011 192 117 ILE HA H 3.63 0.02 1 1012 192 117 ILE HB H 2.10 0.02 1 1013 192 117 ILE C C 176.97 0.10 1 1014 192 117 ILE CA C 66.17 0.10 1 1015 192 117 ILE CB C 39.64 0.10 1 1016 192 117 ILE N N 120.57 0.05 1 1017 193 118 LEU H H 8.27 0.02 1 1018 193 118 LEU HA H 4.07 0.02 1 1019 193 118 LEU C C 179.12 0.10 1 1020 193 118 LEU CA C 58.05 0.10 1 1021 193 118 LEU CB C 41.37 0.10 1 1022 193 118 LEU N N 117.80 0.05 1 1023 194 119 ARG H H 8.90 0.02 1 1024 194 119 ARG HA H 4.25 0.02 1 1025 194 119 ARG HB2 H 1.86 0.02 2 1026 194 119 ARG HB3 H 1.86 0.02 2 1027 194 119 ARG C C 180.17 0.10 1 1028 194 119 ARG CA C 59.45 0.10 1 1029 194 119 ARG CB C 30.50 0.10 1 1030 194 119 ARG CG C 27.17 0.10 1 1031 194 119 ARG N N 121.29 0.05 1 1032 195 120 HIS H H 8.33 0.02 1 1033 195 120 HIS HA H 4.67 0.02 1 1034 195 120 HIS HB2 H 3.24 0.02 2 1035 195 120 HIS HB3 H 3.24 0.02 2 1036 195 120 HIS C C 177.45 0.10 1 1037 195 120 HIS CA C 59.84 0.10 1 1038 195 120 HIS CB C 31.36 0.10 1 1039 195 120 HIS N N 123.29 0.05 1 1040 196 121 PHE H H 7.58 0.02 1 1041 196 121 PHE HA H 4.70 0.02 1 1042 196 121 PHE HB2 H 2.62 0.02 2 1043 196 121 PHE HB3 H 3.71 0.02 2 1044 196 121 PHE HD1 H 7.37 0.02 3 1045 196 121 PHE HD2 H 7.37 0.02 3 1046 196 121 PHE HE1 H 7.32 0.02 3 1047 196 121 PHE HE2 H 7.32 0.02 3 1048 196 121 PHE HZ H 6.90 0.02 1 1049 196 121 PHE C C 175.35 0.10 1 1050 196 121 PHE CA C 58.26 0.10 1 1051 196 121 PHE CB C 39.82 0.10 1 1052 196 121 PHE CD1 C 131.93 0.10 3 1053 196 121 PHE CD2 C 131.93 0.10 3 1054 196 121 PHE CE1 C 130.96 0.10 3 1055 196 121 PHE CE2 C 130.96 0.10 3 1056 196 121 PHE CZ C 128.78 0.10 1 1057 196 121 PHE N N 112.52 0.05 1 1058 197 122 GLY H H 8.01 0.02 1 1059 197 122 GLY HA2 H 4.11 0.02 2 1060 197 122 GLY HA3 H 4.05 0.02 2 1061 197 122 GLY C C 175.50 0.10 1 1062 197 122 GLY CA C 47.22 0.10 1 1063 197 122 GLY N N 108.44 0.05 1 1064 198 123 ILE H H 8.07 0.02 1 1065 198 123 ILE HA H 4.65 0.02 1 1066 198 123 ILE HB H 2.40 0.02 1 1067 198 123 ILE HG12 H 1.49 0.02 2 1068 198 123 ILE HG13 H 1.13 0.02 2 1069 198 123 ILE HG2 H 1.03 0.02 1 1070 198 123 ILE HD1 H 0.88 0.02 1 1071 198 123 ILE C C 175.55 0.10 1 1072 198 123 ILE CA C 60.62 0.10 1 1073 198 123 ILE CB C 40.13 0.10 1 1074 198 123 ILE CG1 C 27.68 0.10 1 1075 198 123 ILE CG2 C 17.42 0.10 1 1076 198 123 ILE CD1 C 15.12 0.10 1 1077 198 123 ILE N N 106.86 0.05 1 1078 199 124 GLU H H 7.32 0.02 1 1079 199 124 GLU HA H 3.75 0.02 1 1080 199 124 GLU HB2 H 2.22 0.02 2 1081 199 124 GLU HB3 H 2.22 0.02 2 1082 199 124 GLU HG2 H 2.14 0.02 2 1083 199 124 GLU HG3 H 2.14 0.02 2 1084 199 124 GLU C C 177.45 0.10 1 1085 199 124 GLU CA C 60.44 0.10 1 1086 199 124 GLU CB C 29.87 0.10 1 1087 199 124 GLU CG C 35.24 0.10 1 1088 199 124 GLU N N 124.55 0.05 1 1089 200 125 GLN H H 9.05 0.02 1 1090 200 125 GLN HA H 4.17 0.02 1 1091 200 125 GLN HB2 H 2.03 0.02 2 1092 200 125 GLN HB3 H 1.95 0.02 2 1093 200 125 GLN HG2 H 2.02 0.02 2 1094 200 125 GLN HG3 H 2.02 0.02 2 1095 200 125 GLN C C 176.05 0.10 1 1096 200 125 GLN CA C 57.02 0.10 1 1097 200 125 GLN CB C 26.83 0.10 1 1098 200 125 GLN CG C 31.85 0.10 1 1099 200 125 GLN N N 114.15 0.05 1 1100 201 126 HIS H H 7.09 0.02 1 1101 201 126 HIS HA H 4.54 0.02 1 1102 201 126 HIS C C 174.79 0.10 1 1103 201 126 HIS CA C 56.46 0.10 1 1104 201 126 HIS CB C 30.78 0.10 1 1105 201 126 HIS N N 118.02 0.05 1 1106 202 127 PHE H H 7.30 0.02 1 1107 202 127 PHE HA H 4.51 0.02 1 1108 202 127 PHE HB2 H 2.93 0.02 2 1109 202 127 PHE HB3 H 2.79 0.02 2 1110 202 127 PHE HD1 H 7.15 0.02 3 1111 202 127 PHE HD2 H 7.15 0.02 3 1112 202 127 PHE HE1 H 7.08 0.02 3 1113 202 127 PHE HE2 H 7.08 0.02 3 1114 202 127 PHE HZ H 6.81 0.02 1 1115 202 127 PHE C C 175.14 0.10 1 1116 202 127 PHE CA C 57.96 0.10 1 1117 202 127 PHE CB C 40.72 0.10 1 1118 202 127 PHE CD1 C 132.91 0.10 3 1119 202 127 PHE CD2 C 132.91 0.10 3 1120 202 127 PHE CE1 C 131.08 0.10 3 1121 202 127 PHE CE2 C 131.08 0.10 3 1122 202 127 PHE CZ C 129.65 0.10 1 1123 202 127 PHE N N 114.06 0.05 1 1124 203 128 GLU H H 9.23 0.02 1 1125 203 128 GLU HA H 4.23 0.02 1 1126 203 128 GLU HB2 H 2.45 0.02 2 1127 203 128 GLU HB3 H 2.03 0.02 2 1128 203 128 GLU HG2 H 2.46 0.02 2 1129 203 128 GLU HG3 H 2.33 0.02 2 1130 203 128 GLU C C 176.98 0.10 1 1131 203 128 GLU CA C 58.72 0.10 1 1132 203 128 GLU CB C 31.30 0.10 1 1133 203 128 GLU CG C 36.46 0.10 1 1134 203 128 GLU N N 126.07 0.05 1 1135 204 129 VAL H H 7.02 0.02 1 1136 204 129 VAL HA H 4.35 0.02 1 1137 204 129 VAL HB H 1.67 0.02 1 1138 204 129 VAL HG1 H 0.86 0.02 2 1139 204 129 VAL HG2 H 0.90 0.02 2 1140 204 129 VAL C C 174.09 0.10 1 1141 204 129 VAL CA C 60.66 0.10 1 1142 204 129 VAL CB C 38.36 0.10 1 1143 204 129 VAL CG1 C 20.84 0.10 2 1144 204 129 VAL CG2 C 23.31 0.10 2 1145 204 129 VAL N N 114.62 0.05 1 1146 205 130 ILE H H 8.66 0.02 1 1147 205 130 ILE HA H 4.13 0.02 1 1148 205 130 ILE HB H 1.64 0.02 1 1149 205 130 ILE HG12 H 1.48 0.02 2 1150 205 130 ILE HG13 H 1.48 0.02 2 1151 205 130 ILE HG2 H 0.50 0.02 1 1152 205 130 ILE HD1 H 0.94 0.02 1 1153 205 130 ILE C C 172.48 0.10 1 1154 205 130 ILE CA C 61.25 0.10 1 1155 205 130 ILE CB C 39.30 0.10 1 1156 205 130 ILE CG1 C 27.60 0.10 1 1157 205 130 ILE CG2 C 16.67 0.10 1 1158 205 130 ILE CD1 C 15.64 0.10 1 1159 205 130 ILE N N 128.51 0.05 1 1160 206 131 ALA H H 8.86 0.02 1 1161 206 131 ALA HA H 4.89 0.02 1 1162 206 131 ALA HB H 1.32 0.02 1 1163 206 131 ALA C C 174.71 0.10 1 1164 206 131 ALA CA C 50.17 0.10 1 1165 206 131 ALA CB C 21.42 0.10 1 1166 206 131 ALA N N 131.21 0.05 1 1167 207 132 GLY H H 9.36 0.02 1 1168 207 132 GLY HA2 H 3.76 0.02 2 1169 207 132 GLY HA3 H 3.76 0.02 2 1170 207 132 GLY C C 174.28 0.10 1 1171 207 132 GLY CA C 44.00 0.10 1 1172 207 132 GLY N N 110.68 0.05 1 1173 208 133 ALA H H 7.94 0.02 1 1174 208 133 ALA HA H 4.40 0.02 1 1175 208 133 ALA HB H 1.38 0.02 1 1176 208 133 ALA C C 178.60 0.10 1 1177 208 133 ALA CA C 51.79 0.10 1 1178 208 133 ALA CB C 20.18 0.10 1 1179 208 133 ALA N N 122.52 0.05 1 1180 209 134 SER H H 8.45 0.02 1 1181 209 134 SER HA H 4.70 0.02 1 1182 209 134 SER CA C 57.81 0.10 1 1183 209 134 SER CB C 64.27 0.10 1 1184 209 134 SER N N 114.87 0.05 1 1185 212 137 GLY HA2 H 3.94 0.02 2 1186 212 137 GLY HA3 H 3.66 0.02 2 1187 212 137 GLY C C 174.45 0.10 1 1188 212 137 GLY CA C 45.33 0.10 1 1189 213 138 SER H H 8.12 0.02 1 1190 213 138 SER HA H 4.20 0.02 1 1191 213 138 SER HB2 H 3.90 0.02 2 1192 213 138 SER HB3 H 3.83 0.02 2 1193 213 138 SER CA C 59.91 0.10 1 1194 213 138 SER CB C 63.55 0.10 1 1195 213 138 SER N N 116.52 0.05 1 1196 220 145 VAL H H 8.77 0.02 1 1197 220 145 VAL HA H 3.72 0.02 1 1198 220 145 VAL HB H 1.87 0.02 1 1199 220 145 VAL HG1 H 0.92 0.02 2 1200 220 145 VAL HG2 H 0.92 0.02 2 1201 220 145 VAL C C 178.65 0.10 1 1202 220 145 VAL CA C 67.04 0.10 1 1203 220 145 VAL CB C 31.72 0.10 1 1204 220 145 VAL CG1 C 21.74 0.10 2 1205 220 145 VAL CG2 C 21.74 0.10 2 1206 220 145 VAL N N 123.11 0.05 1 1207 221 146 LEU H H 8.47 0.02 1 1208 221 146 LEU HA H 3.83 0.02 1 1209 221 146 LEU HB2 H 1.82 0.02 2 1210 221 146 LEU HB3 H 1.82 0.02 2 1211 221 146 LEU HG H 0.95 0.02 1 1212 221 146 LEU HD1 H 0.76 0.02 2 1213 221 146 LEU HD2 H 0.76 0.02 2 1214 221 146 LEU C C 178.08 0.10 1 1215 221 146 LEU CA C 57.98 0.10 1 1216 221 146 LEU CB C 41.91 0.10 1 1217 221 146 LEU CG C 25.88 0.10 1 1218 221 146 LEU CD1 C 24.91 0.10 2 1219 221 146 LEU CD2 C 24.91 0.10 2 1220 221 146 LEU N N 120.09 0.05 1 1221 222 147 ALA H H 7.70 0.02 1 1222 222 147 ALA HA H 3.68 0.02 1 1223 222 147 ALA HB H 1.72 0.02 1 1224 222 147 ALA C C 180.19 0.10 1 1225 222 147 ALA CA C 55.61 0.10 1 1226 222 147 ALA CB C 18.24 0.10 1 1227 222 147 ALA N N 120.26 0.05 1 1228 223 148 HIS H H 7.63 0.02 1 1229 223 148 HIS HA H 4.60 0.02 1 1230 223 148 HIS HB2 H 3.42 0.02 2 1231 223 148 HIS HB3 H 3.16 0.02 2 1232 223 148 HIS C C 177.76 0.10 1 1233 223 148 HIS CA C 58.55 0.10 1 1234 223 148 HIS CB C 31.63 0.10 1 1235 223 148 HIS N N 119.23 0.05 1 1236 224 149 ALA H H 8.40 0.02 1 1237 224 149 ALA HA H 3.72 0.02 1 1238 224 149 ALA HB H 1.26 0.02 1 1239 224 149 ALA C C 179.17 0.10 1 1240 224 149 ALA CA C 55.38 0.10 1 1241 224 149 ALA CB C 16.91 0.10 1 1242 224 149 ALA N N 121.51 0.05 1 1243 225 150 LEU H H 8.75 0.02 1 1244 225 150 LEU HA H 3.73 0.02 1 1245 225 150 LEU HB2 H 1.69 0.02 2 1246 225 150 LEU HB3 H 1.28 0.02 2 1247 225 150 LEU HD1 H 0.40 0.02 2 1248 225 150 LEU HD2 H 0.60 0.02 2 1249 225 150 LEU C C 179.30 0.10 1 1250 225 150 LEU CA C 58.20 0.10 1 1251 225 150 LEU CB C 41.01 0.10 1 1252 225 150 LEU CD1 C 25.27 0.10 2 1253 225 150 LEU CD2 C 22.45 0.10 2 1254 225 150 LEU N N 115.62 0.05 1 1255 226 151 ALA H H 7.71 0.02 1 1256 226 151 ALA HA H 4.06 0.02 1 1257 226 151 ALA HB H 1.55 0.02 1 1258 226 151 ALA C C 180.24 0.10 1 1259 226 151 ALA CA C 54.99 0.10 1 1260 226 151 ALA CB C 18.17 0.10 1 1261 226 151 ALA N N 119.19 0.05 1 1262 227 152 GLN H H 7.30 0.02 1 1263 227 152 GLN HA H 4.20 0.02 1 1264 227 152 GLN HB2 H 2.37 0.02 2 1265 227 152 GLN HB3 H 2.02 0.02 2 1266 227 152 GLN HG2 H 2.39 0.02 2 1267 227 152 GLN HG3 H 2.14 0.02 2 1268 227 152 GLN C C 176.80 0.10 1 1269 227 152 GLN CA C 57.05 0.10 1 1270 227 152 GLN CB C 31.62 0.10 1 1271 227 152 GLN CG C 34.94 0.10 1 1272 227 152 GLN N N 114.72 0.05 1 1273 228 153 LEU H H 7.56 0.02 1 1274 228 153 LEU HA H 4.10 0.02 1 1275 228 153 LEU HB2 H 1.61 0.02 2 1276 228 153 LEU HB3 H 1.41 0.02 2 1277 228 153 LEU HG H 0.78 0.02 1 1278 228 153 LEU HD1 H 0.55 0.02 2 1279 228 153 LEU HD2 H 0.55 0.02 2 1280 228 153 LEU C C 175.60 0.10 1 1281 228 153 LEU CA C 54.63 0.10 1 1282 228 153 LEU CB C 44.16 0.10 1 1283 228 153 LEU CG C 27.02 0.10 1 1284 228 153 LEU CD1 C 25.79 0.10 2 1285 228 153 LEU CD2 C 25.79 0.10 2 1286 228 153 LEU N N 119.65 0.05 1 1287 229 154 ARG H H 7.08 0.02 1 1288 229 154 ARG HA H 4.03 0.02 1 1289 229 154 ARG HB2 H 1.76 0.02 2 1290 229 154 ARG HB3 H 1.76 0.02 2 1291 229 154 ARG HG2 H 1.67 0.02 2 1292 229 154 ARG HG3 H 2.03 0.02 2 1293 229 154 ARG HD2 H 3.23 0.02 2 1294 229 154 ARG HD3 H 3.23 0.02 2 1295 229 154 ARG CA C 55.95 0.10 1 1296 229 154 ARG CB C 29.58 0.10 1 1297 229 154 ARG CG C 27.88 0.10 1 1298 229 154 ARG CD C 43.62 0.10 1 1299 229 154 ARG N N 118.98 0.05 1 1300 230 155 PRO HA H 4.51 0.02 1 1301 230 155 PRO HB2 H 2.36 0.02 2 1302 230 155 PRO HB3 H 2.05 0.02 2 1303 230 155 PRO HG2 H 2.06 0.02 2 1304 230 155 PRO HG3 H 1.93 0.02 2 1305 230 155 PRO HD2 H 3.63 0.02 2 1306 230 155 PRO HD3 H 3.54 0.02 2 1307 230 155 PRO CA C 62.10 0.10 1 1308 230 155 PRO CB C 34.02 0.10 1 1309 230 155 PRO CG C 25.01 0.10 1 1310 230 155 PRO CD C 50.77 0.10 1 1311 231 156 LEU H H 8.90 0.02 1 1312 231 156 LEU HA H 4.36 0.02 1 1313 231 156 LEU HB2 H 1.75 0.02 2 1314 231 156 LEU HB3 H 1.43 0.02 2 1315 231 156 LEU HD1 H 0.94 0.02 2 1316 231 156 LEU HD2 H 0.73 0.02 2 1317 231 156 LEU CA C 52.52 0.10 1 1318 231 156 LEU CB C 41.01 0.10 1 1319 231 156 LEU CD1 C 25.88 0.10 2 1320 231 156 LEU CD2 C 23.21 0.10 2 1321 231 156 LEU N N 125.84 0.05 1 1322 232 157 PRO HA H 4.78 0.02 1 1323 232 157 PRO HB2 H 2.24 0.02 2 1324 232 157 PRO HB3 H 2.24 0.02 2 1325 232 157 PRO C C 174.00 0.10 1 1326 232 157 PRO CA C 62.00 0.10 1 1327 232 157 PRO CB C 31.06 0.10 1 1328 233 158 GLU H H 8.17 0.02 1 1329 233 158 GLU HA H 4.01 0.02 1 1330 233 158 GLU HB2 H 2.11 0.02 2 1331 233 158 GLU HB3 H 2.08 0.02 2 1332 233 158 GLU HG2 H 2.37 0.02 2 1333 233 158 GLU HG3 H 2.29 0.02 2 1334 233 158 GLU C C 177.86 0.10 1 1335 233 158 GLU CA C 59.35 0.10 1 1336 233 158 GLU CB C 30.74 0.10 1 1337 233 158 GLU CG C 37.02 0.10 1 1338 233 158 GLU N N 116.85 0.05 1 1339 234 159 ARG H H 8.29 0.02 1 1340 234 159 ARG HA H 4.76 0.02 1 1341 234 159 ARG HB2 H 1.91 0.02 2 1342 234 159 ARG HB3 H 1.91 0.02 2 1343 234 159 ARG HG2 H 1.57 0.02 2 1344 234 159 ARG HG3 H 1.40 0.02 2 1345 234 159 ARG C C 174.34 0.10 1 1346 234 159 ARG CA C 55.54 0.10 1 1347 234 159 ARG CB C 31.10 0.10 1 1348 234 159 ARG CG C 26.84 0.10 1 1349 234 159 ARG N N 116.32 0.05 1 1350 235 160 LEU H H 8.53 0.02 1 1351 235 160 LEU HA H 5.60 0.02 1 1352 235 160 LEU HB2 H 1.64 0.02 2 1353 235 160 LEU HB3 H 1.43 0.02 2 1354 235 160 LEU HG H 1.64 0.02 1 1355 235 160 LEU HD1 H 0.78 0.02 2 1356 235 160 LEU HD2 H 0.86 0.02 2 1357 235 160 LEU C C 175.25 0.10 1 1358 235 160 LEU CA C 54.40 0.10 1 1359 235 160 LEU CB C 45.84 0.10 1 1360 235 160 LEU CG C 28.45 0.10 1 1361 235 160 LEU CD1 C 27.01 0.10 2 1362 235 160 LEU CD2 C 26.59 0.10 2 1363 235 160 LEU N N 126.84 0.05 1 1364 236 161 VAL H H 7.89 0.02 1 1365 236 161 VAL HA H 4.51 0.02 1 1366 236 161 VAL HB H 1.86 0.02 1 1367 236 161 VAL HG1 H 0.70 0.02 2 1368 236 161 VAL HG2 H 0.83 0.02 2 1369 236 161 VAL C C 170.99 0.10 1 1370 236 161 VAL CA C 60.98 0.10 1 1371 236 161 VAL CB C 36.84 0.10 1 1372 236 161 VAL CG1 C 21.54 0.10 2 1373 236 161 VAL CG2 C 21.75 0.10 2 1374 236 161 VAL N N 117.58 0.05 1 1375 237 162 MET H H 8.35 0.02 1 1376 237 162 MET HA H 5.36 0.02 1 1377 237 162 MET HB2 H 2.34 0.02 2 1378 237 162 MET HB3 H 2.34 0.02 2 1379 237 162 MET HG2 H 2.67 0.02 2 1380 237 162 MET HG3 H 2.67 0.02 2 1381 237 162 MET HE H 2.06 0.02 1 1382 237 162 MET C C 173.73 0.10 1 1383 237 162 MET CA C 52.90 0.10 1 1384 237 162 MET CB C 34.71 0.10 1 1385 237 162 MET CG C 32.85 0.10 1 1386 237 162 MET CE C 19.34 0.10 1 1387 237 162 MET N N 125.84 0.05 1 1388 238 163 VAL H H 9.28 0.02 1 1389 238 163 VAL HA H 5.14 0.02 1 1390 238 163 VAL HB H 1.66 0.02 1 1391 238 163 VAL HG1 H 0.42 0.02 2 1392 238 163 VAL HG2 H 0.83 0.02 2 1393 238 163 VAL C C 175.20 0.10 1 1394 238 163 VAL CA C 60.38 0.10 1 1395 238 163 VAL CB C 33.62 0.10 1 1396 238 163 VAL CG1 C 21.60 0.10 2 1397 238 163 VAL CG2 C 22.41 0.10 2 1398 238 163 VAL N N 127.76 0.05 1 1399 239 164 GLY H H 8.34 0.02 1 1400 239 164 GLY HA2 H 3.60 0.02 2 1401 239 164 GLY HA3 H 3.60 0.02 2 1402 239 164 GLY C C 171.36 0.10 1 1403 239 164 GLY CA C 45.80 0.10 1 1404 239 164 GLY N N 111.06 0.05 1 1405 240 165 ASP H H 8.11 0.02 1 1406 240 165 ASP HA H 4.87 0.02 1 1407 240 165 ASP HB2 H 2.45 0.02 2 1408 240 165 ASP HB3 H 2.45 0.02 2 1409 240 165 ASP C C 175.68 0.10 1 1410 240 165 ASP CA C 53.38 0.10 1 1411 240 165 ASP CB C 41.83 0.10 1 1412 240 165 ASP N N 113.76 0.05 1 1413 241 166 ARG H H 8.94 0.02 1 1414 241 166 ARG CA C 52.81 0.10 1 1415 241 166 ARG CB C 34.15 0.10 1 1416 241 166 ARG N N 117.70 0.05 1 1417 243 168 HIS CA C 59.48 0.10 1 1418 244 169 ASP H H 7.60 0.02 1 1419 244 169 ASP HA H 4.34 0.02 1 1420 244 169 ASP HB2 H 2.89 0.02 2 1421 244 169 ASP HB3 H 2.89 0.02 2 1422 244 169 ASP C C 176.22 0.10 1 1423 244 169 ASP CA C 58.78 0.10 1 1424 244 169 ASP CB C 41.85 0.10 1 1425 244 169 ASP N N 117.99 0.05 1 1426 245 170 VAL H H 6.84 0.02 1 1427 245 170 VAL HA H 3.93 0.02 1 1428 245 170 VAL HB H 2.30 0.02 1 1429 245 170 VAL HG1 H 0.87 0.02 2 1430 245 170 VAL HG2 H 0.87 0.02 2 1431 245 170 VAL CA C 64.61 0.10 1 1432 245 170 VAL CB C 31.80 0.10 1 1433 245 170 VAL CG1 C 22.59 0.10 2 1434 245 170 VAL CG2 C 22.59 0.10 2 1435 245 170 VAL N N 118.67 0.05 1 1436 246 171 ASP H H 8.71 0.02 1 1437 246 171 ASP HA H 4.31 0.02 1 1438 246 171 ASP HB2 H 2.61 0.02 2 1439 246 171 ASP HB3 H 2.61 0.02 2 1440 246 171 ASP C C 179.58 0.10 1 1441 246 171 ASP CA C 57.04 0.10 1 1442 246 171 ASP CB C 40.27 0.10 1 1443 246 171 ASP N N 119.71 0.05 1 1444 247 172 GLY H H 7.99 0.02 1 1445 247 172 GLY HA2 H 3.78 0.02 2 1446 247 172 GLY HA3 H 3.38 0.02 2 1447 247 172 GLY C C 173.89 0.10 1 1448 247 172 GLY CA C 47.15 0.10 1 1449 247 172 GLY N N 108.55 0.05 1 1450 248 173 ALA H H 8.00 0.02 1 1451 248 173 ALA HA H 3.97 0.02 1 1452 248 173 ALA HB H 1.28 0.02 1 1453 248 173 ALA C C 181.18 0.10 1 1454 248 173 ALA CA C 55.43 0.10 1 1455 248 173 ALA CB C 17.61 0.10 1 1456 248 173 ALA N N 122.36 0.05 1 1457 249 174 ALA H H 8.72 0.02 1 1458 249 174 ALA HA H 4.07 0.02 1 1459 249 174 ALA HB H 1.54 0.02 1 1460 249 174 ALA C C 181.51 0.10 1 1461 249 174 ALA CA C 55.31 0.10 1 1462 249 174 ALA CB C 18.23 0.10 1 1463 249 174 ALA N N 122.13 0.05 1 1464 250 175 ALA H H 7.38 0.02 1 1465 250 175 ALA HA H 4.04 0.02 1 1466 250 175 ALA HB H 1.32 0.02 1 1467 250 175 ALA C C 178.08 0.10 1 1468 250 175 ALA CA C 54.42 0.10 1 1469 250 175 ALA CB C 18.37 0.10 1 1470 250 175 ALA N N 121.01 0.05 1 1471 251 176 HIS H H 7.36 0.02 1 1472 251 176 HIS HA H 4.63 0.02 1 1473 251 176 HIS HB2 H 3.31 0.02 2 1474 251 176 HIS HB3 H 2.62 0.02 2 1475 251 176 HIS C C 175.35 0.10 1 1476 251 176 HIS CA C 55.67 0.10 1 1477 251 176 HIS CB C 32.99 0.10 1 1478 251 176 HIS N N 115.09 0.05 1 1479 252 177 GLY H H 7.98 0.02 1 1480 252 177 GLY HA2 H 4.04 0.02 2 1481 252 177 GLY HA3 H 3.76 0.02 2 1482 252 177 GLY C C 173.99 0.10 1 1483 252 177 GLY CA C 46.41 0.10 1 1484 252 177 GLY N N 109.01 0.05 1 1485 253 178 ILE H H 7.95 0.02 1 1486 253 178 ILE HA H 4.25 0.02 1 1487 253 178 ILE HB H 1.51 0.02 1 1488 253 178 ILE HG2 H 0.94 0.02 1 1489 253 178 ILE HD1 H 0.73 0.02 1 1490 253 178 ILE C C 174.49 0.10 1 1491 253 178 ILE CA C 60.55 0.10 1 1492 253 178 ILE CB C 40.34 0.10 1 1493 253 178 ILE CG2 C 17.23 0.10 1 1494 253 178 ILE CD1 C 15.08 0.10 1 1495 253 178 ILE N N 122.41 0.05 1 1496 254 179 ASP H H 8.97 0.02 1 1497 254 179 ASP HA H 4.74 0.02 1 1498 254 179 ASP HB2 H 2.85 0.02 2 1499 254 179 ASP HB3 H 2.54 0.02 2 1500 254 179 ASP CA C 55.00 0.10 1 1501 254 179 ASP CB C 42.22 0.10 1 1502 254 179 ASP N N 129.48 0.05 1 1503 255 180 THR HA H 5.43 0.02 1 1504 255 180 THR HB H 3.48 0.02 1 1505 255 180 THR C C 174.26 0.10 1 1506 255 180 THR CA C 61.81 0.10 1 1507 255 180 THR CB C 71.57 0.10 1 1508 256 181 VAL H H 9.28 0.02 1 1509 256 181 VAL HA H 4.35 0.02 1 1510 256 181 VAL CB C 32.91 0.10 1 1511 256 181 VAL N N 128.06 0.05 1 1512 260 185 TRP HE1 H 10.04 0.02 1 1513 260 185 TRP HE3 H 7.34 0.02 1 1514 260 185 TRP HZ2 H 7.01 0.02 1 1515 260 185 TRP HZ3 H 6.49 0.02 1 1516 260 185 TRP HH2 H 6.86 0.02 1 1517 260 185 TRP CE3 C 119.44 0.10 1 1518 260 185 TRP CZ2 C 112.72 0.10 1 1519 260 185 TRP CZ3 C 121.45 0.10 1 1520 260 185 TRP CH2 C 123.07 0.10 1 1521 260 185 TRP NE1 N 132.44 0.05 1 1522 261 186 GLY CA C 45.66 0.10 1 1523 262 187 TYR H H 8.98 0.02 1 1524 262 187 TYR HA H 5.21 0.02 1 1525 262 187 TYR HB2 H 3.52 0.02 2 1526 262 187 TYR HB3 H 2.60 0.02 2 1527 262 187 TYR HD1 H 7.14 0.02 3 1528 262 187 TYR HD2 H 7.14 0.02 3 1529 262 187 TYR HE1 H 6.98 0.02 3 1530 262 187 TYR HE2 H 6.98 0.02 3 1531 262 187 TYR CA C 56.03 0.10 1 1532 262 187 TYR CB C 38.55 0.10 1 1533 262 187 TYR CD1 C 133.03 0.10 3 1534 262 187 TYR CD2 C 133.03 0.10 3 1535 262 187 TYR CE1 C 118.44 0.10 3 1536 262 187 TYR CE2 C 118.44 0.10 3 1537 262 187 TYR N N 121.77 0.05 1 1538 263 188 GLY H H 7.91 0.02 1 1539 263 188 GLY C C 176.19 0.10 1 1540 263 188 GLY CA C 45.88 0.10 1 1541 263 188 GLY N N 106.87 0.05 1 1542 264 189 ARG H H 8.36 0.02 1 1543 264 189 ARG HA H 4.11 0.02 1 1544 264 189 ARG HB2 H 2.00 0.02 2 1545 264 189 ARG HB3 H 1.87 0.02 2 1546 264 189 ARG HG2 H 1.73 0.02 2 1547 264 189 ARG HG3 H 1.67 0.02 2 1548 264 189 ARG HD2 H 3.29 0.02 2 1549 264 189 ARG HD3 H 3.29 0.02 2 1550 264 189 ARG C C 178.24 0.10 1 1551 264 189 ARG CA C 59.74 0.10 1 1552 264 189 ARG CB C 29.76 0.10 1 1553 264 189 ARG CG C 27.16 0.10 1 1554 264 189 ARG CD C 43.39 0.10 1 1555 264 189 ARG N N 121.26 0.05 1 1556 265 190 ALA H H 8.66 0.02 1 1557 265 190 ALA HA H 4.40 0.02 1 1558 265 190 ALA HB H 1.41 0.02 1 1559 265 190 ALA C C 178.04 0.10 1 1560 265 190 ALA CA C 52.38 0.10 1 1561 265 190 ALA CB C 18.60 0.10 1 1562 265 190 ALA N N 119.63 0.05 1 1563 266 191 ASP H H 7.95 0.02 1 1564 266 191 ASP HA H 4.16 0.02 1 1565 266 191 ASP HB2 H 2.62 0.02 2 1566 266 191 ASP HB3 H 2.62 0.02 2 1567 266 191 ASP CA C 55.62 0.10 1 1568 266 191 ASP CB C 40.20 0.10 1 1569 266 191 ASP N N 119.18 0.05 1 1570 267 192 PHE HD1 H 7.36 0.02 3 1571 267 192 PHE HD2 H 7.36 0.02 3 1572 267 192 PHE HE1 H 7.25 0.02 3 1573 267 192 PHE HE2 H 7.25 0.02 3 1574 267 192 PHE HZ H 6.91 0.02 1 1575 267 192 PHE CD1 C 132.60 0.10 3 1576 267 192 PHE CD2 C 132.60 0.10 3 1577 267 192 PHE CE1 C 131.39 0.10 3 1578 267 192 PHE CE2 C 131.39 0.10 3 1579 267 192 PHE CZ C 129.42 0.10 1 1580 279 204 ALA HA H 4.82 0.02 1 1581 279 204 ALA HB H 1.03 0.02 1 1582 279 204 ALA C C 174.79 0.10 1 1583 279 204 ALA CA C 49.94 0.10 1 1584 279 204 ALA CB C 19.16 0.10 1 1585 280 205 ALA H H 9.32 0.02 1 1586 280 205 ALA HA H 4.22 0.02 1 1587 280 205 ALA HB H 1.61 0.02 1 1588 280 205 ALA C C 177.92 0.10 1 1589 280 205 ALA CA C 54.55 0.10 1 1590 280 205 ALA CB C 20.51 0.10 1 1591 280 205 ALA N N 126.77 0.05 1 1592 281 206 THR H H 7.29 0.02 1 1593 281 206 THR HA H 4.96 0.02 1 1594 281 206 THR HB H 4.65 0.02 1 1595 281 206 THR HG2 H 1.26 0.02 1 1596 281 206 THR C C 176.17 0.10 1 1597 281 206 THR CA C 58.38 0.10 1 1598 281 206 THR CB C 73.82 0.10 1 1599 281 206 THR CG2 C 21.64 0.10 1 1600 281 206 THR N N 102.80 0.05 1 1601 282 207 ILE H H 9.10 0.02 1 1602 282 207 ILE HA H 3.97 0.02 1 1603 282 207 ILE HB H 1.70 0.02 1 1604 282 207 ILE HG12 H 1.32 0.02 2 1605 282 207 ILE HG13 H 1.13 0.02 2 1606 282 207 ILE HG2 H 0.87 0.02 1 1607 282 207 ILE HD1 H 0.57 0.02 1 1608 282 207 ILE C C 176.97 0.10 1 1609 282 207 ILE CA C 61.89 0.10 1 1610 282 207 ILE CB C 36.88 0.10 1 1611 282 207 ILE CG1 C 28.67 0.10 1 1612 282 207 ILE CG2 C 18.40 0.10 1 1613 282 207 ILE CD1 C 12.92 0.10 1 1614 282 207 ILE N N 123.60 0.05 1 1615 283 208 ASP H H 8.02 0.02 1 1616 283 208 ASP HA H 4.37 0.02 1 1617 283 208 ASP HB2 H 2.67 0.02 2 1618 283 208 ASP HB3 H 2.54 0.02 2 1619 283 208 ASP C C 179.13 0.10 1 1620 283 208 ASP CA C 57.93 0.10 1 1621 283 208 ASP CB C 40.31 0.10 1 1622 283 208 ASP N N 121.03 0.05 1 1623 284 209 GLU H H 7.78 0.02 1 1624 284 209 GLU HA H 4.22 0.02 1 1625 284 209 GLU HB2 H 2.22 0.02 2 1626 284 209 GLU HB3 H 2.22 0.02 2 1627 284 209 GLU HG2 H 2.55 0.02 2 1628 284 209 GLU HG3 H 2.44 0.02 2 1629 284 209 GLU C C 179.92 0.10 1 1630 284 209 GLU CA C 59.47 0.10 1 1631 284 209 GLU CB C 30.59 0.10 1 1632 284 209 GLU CG C 37.14 0.10 1 1633 284 209 GLU N N 119.78 0.05 1 1634 285 210 LEU H H 8.22 0.02 1 1635 285 210 LEU HA H 4.07 0.02 1 1636 285 210 LEU HB2 H 2.40 0.02 2 1637 285 210 LEU HB3 H 2.40 0.02 2 1638 285 210 LEU HD1 H 1.21 0.02 2 1639 285 210 LEU HD2 H 1.21 0.02 2 1640 285 210 LEU C C 177.36 0.10 1 1641 285 210 LEU CA C 57.95 0.10 1 1642 285 210 LEU CB C 41.27 0.10 1 1643 285 210 LEU CD1 C 26.96 0.10 2 1644 285 210 LEU CD2 C 26.96 0.10 2 1645 285 210 LEU N N 122.82 0.05 1 1646 286 211 ARG H H 8.82 0.02 1 1647 286 211 ARG HA H 3.56 0.02 1 1648 286 211 ARG HB2 H 1.93 0.02 2 1649 286 211 ARG HB3 H 1.86 0.02 2 1650 286 211 ARG C C 178.02 0.10 1 1651 286 211 ARG CA C 60.93 0.10 1 1652 286 211 ARG CB C 30.13 0.10 1 1653 286 211 ARG N N 118.69 0.05 1 1654 287 212 GLU H H 7.57 0.02 1 1655 287 212 GLU HA H 4.11 0.02 1 1656 287 212 GLU HB2 H 2.13 0.02 2 1657 287 212 GLU HB3 H 2.08 0.02 2 1658 287 212 GLU HG2 H 2.38 0.02 2 1659 287 212 GLU HG3 H 2.26 0.02 2 1660 287 212 GLU C C 179.86 0.10 1 1661 287 212 GLU CA C 59.21 0.10 1 1662 287 212 GLU CB C 29.56 0.10 1 1663 287 212 GLU CG C 36.25 0.10 1 1664 287 212 GLU N N 116.70 0.05 1 1665 288 213 ALA H H 7.81 0.02 1 1666 288 213 ALA HA H 4.14 0.02 1 1667 288 213 ALA HB H 1.47 0.02 1 1668 288 213 ALA C C 179.04 0.10 1 1669 288 213 ALA CA C 54.63 0.10 1 1670 288 213 ALA CB C 17.78 0.10 1 1671 288 213 ALA N N 121.42 0.05 1 1672 289 214 LEU H H 7.85 0.02 1 1673 289 214 LEU HA H 4.25 0.02 1 1674 289 214 LEU HB2 H 1.72 0.02 2 1675 289 214 LEU HB3 H 1.69 0.02 2 1676 289 214 LEU HG H 0.90 0.02 1 1677 289 214 LEU HD1 H 0.60 0.02 2 1678 289 214 LEU HD2 H 0.60 0.02 2 1679 289 214 LEU C C 175.73 0.10 1 1680 289 214 LEU CA C 54.12 0.10 1 1681 289 214 LEU CB C 41.97 0.10 1 1682 289 214 LEU CG C 26.79 0.10 1 1683 289 214 LEU CD1 C 21.92 0.10 2 1684 289 214 LEU CD2 C 21.92 0.10 2 1685 289 214 LEU N N 113.75 0.05 1 1686 290 215 GLY H H 7.72 0.02 1 1687 290 215 GLY HA2 H 4.03 0.02 2 1688 290 215 GLY HA3 H 3.88 0.02 2 1689 290 215 GLY C C 174.62 0.10 1 1690 290 215 GLY CA C 46.47 0.10 1 1691 290 215 GLY N N 106.79 0.05 1 1692 291 216 VAL H H 7.78 0.02 1 1693 291 216 VAL HA H 4.36 0.02 1 1694 291 216 VAL HB H 2.25 0.02 1 1695 291 216 VAL HG1 H 0.72 0.02 2 1696 291 216 VAL HG2 H 0.72 0.02 2 1697 291 216 VAL CA C 61.20 0.10 1 1698 291 216 VAL CB C 33.63 0.10 1 1699 291 216 VAL CG1 C 19.58 0.10 2 1700 291 216 VAL CG2 C 22.12 0.10 2 1701 291 216 VAL N N 118.73 0.05 1 stop_ save_