data_17446 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H 15N 13C Backbone Assignment of Sap97 N terminal region and PDZ1 domain ; _BMRB_accession_number 17446 _BMRB_flat_file_name bmr17446.str _Entry_type original _Submission_date 2011-02-07 _Accession_date 2011-02-07 _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 Phelan Marie M. . 2 Tully Mark D. . 3 Leyland Mark . . 4 Lian Lu-Yun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 606 "13C chemical shifts" 567 "15N chemical shifts" 181 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-10-30 update BMRB 'complete entry, etc.' 2012-08-14 original author 'original release' stop_ _Original_release_date 2011-02-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational characterization of synapse-associated protein 97 by nuclear magnetic resonance and small-angle X-ray scattering shows compact and elongated forms ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22242544 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tully Mark D. . 2 Grossmann J. Gunter . 3 Phelan Marie . . 4 Pandelaneni Sravan . . 5 Leyland Mark . . 6 Lian Lu-Yun . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 51 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 899 _Page_last 908 _Year 2012 _Details . loop_ _Keyword PDZ SAP97 SAP97NPDZ1 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SAP97NPDZ1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SAP97NPDZ1 $SAP97NPDZ1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SAP97NPDZ1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SAP97NPDZ1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'scaffolding protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 214 _Mol_residue_sequence ; SMSKQCEPVQPGNPWESGSL SSAAVTSESLPGGLSPPVEK YRYQDEEVLPSERISPQVPN EVLGPELVHVSEKSLSEIEN VHGFVSHSHISPIKANPPPV LVNTDSLETPTYVNGTDADY EYEEITLERGNSGLGFSIAG GTDNPHIGDDSSIFITKIIT GGAAAQDGRLRVNDCILRVN EADVRDVTHSKAVEALKEAG SIVRLYVKRRKPAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 68 SER 2 69 MET 3 70 SER 4 71 LYS 5 72 GLN 6 73 CYS 7 74 GLU 8 75 PRO 9 76 VAL 10 77 GLN 11 78 PRO 12 79 GLY 13 80 ASN 14 81 PRO 15 82 TRP 16 83 GLU 17 84 SER 18 85 GLY 19 86 SER 20 87 LEU 21 88 SER 22 89 SER 23 90 ALA 24 91 ALA 25 92 VAL 26 93 THR 27 94 SER 28 95 GLU 29 96 SER 30 97 LEU 31 98 PRO 32 99 GLY 33 100 GLY 34 101 LEU 35 102 SER 36 103 PRO 37 104 PRO 38 105 VAL 39 106 GLU 40 107 LYS 41 108 TYR 42 109 ARG 43 110 TYR 44 111 GLN 45 112 ASP 46 113 GLU 47 114 GLU 48 115 VAL 49 116 LEU 50 117 PRO 51 118 SER 52 119 GLU 53 120 ARG 54 121 ILE 55 122 SER 56 123 PRO 57 124 GLN 58 125 VAL 59 126 PRO 60 127 ASN 61 128 GLU 62 129 VAL 63 130 LEU 64 131 GLY 65 132 PRO 66 133 GLU 67 134 LEU 68 135 VAL 69 136 HIS 70 137 VAL 71 138 SER 72 139 GLU 73 140 LYS 74 141 SER 75 142 LEU 76 143 SER 77 144 GLU 78 145 ILE 79 146 GLU 80 147 ASN 81 148 VAL 82 149 HIS 83 150 GLY 84 151 PHE 85 152 VAL 86 153 SER 87 154 HIS 88 155 SER 89 156 HIS 90 157 ILE 91 158 SER 92 159 PRO 93 160 ILE 94 161 LYS 95 162 ALA 96 163 ASN 97 164 PRO 98 165 PRO 99 166 PRO 100 167 VAL 101 168 LEU 102 169 VAL 103 170 ASN 104 171 THR 105 172 ASP 106 173 SER 107 174 LEU 108 175 GLU 109 176 THR 110 177 PRO 111 178 THR 112 179 TYR 113 180 VAL 114 181 ASN 115 182 GLY 116 183 THR 117 184 ASP 118 185 ALA 119 186 ASP 120 187 TYR 121 188 GLU 122 189 TYR 123 190 GLU 124 191 GLU 125 192 ILE 126 193 THR 127 194 LEU 128 195 GLU 129 196 ARG 130 197 GLY 131 198 ASN 132 199 SER 133 200 GLY 134 201 LEU 135 202 GLY 136 203 PHE 137 204 SER 138 205 ILE 139 206 ALA 140 207 GLY 141 208 GLY 142 209 THR 143 210 ASP 144 211 ASN 145 212 PRO 146 213 HIS 147 214 ILE 148 215 GLY 149 216 ASP 150 217 ASP 151 218 SER 152 219 SER 153 220 ILE 154 221 PHE 155 222 ILE 156 223 THR 157 224 LYS 158 225 ILE 159 226 ILE 160 227 THR 161 228 GLY 162 229 GLY 163 230 ALA 164 231 ALA 165 232 ALA 166 233 GLN 167 234 ASP 168 235 GLY 169 236 ARG 170 237 LEU 171 238 ARG 172 239 VAL 173 240 ASN 174 241 ASP 175 242 CYS 176 243 ILE 177 244 LEU 178 245 ARG 179 246 VAL 180 247 ASN 181 248 GLU 182 249 ALA 183 250 ASP 184 251 VAL 185 252 ARG 186 253 ASP 187 254 VAL 188 255 THR 189 256 HIS 190 257 SER 191 258 LYS 192 259 ALA 193 260 VAL 194 261 GLU 195 262 ALA 196 263 LEU 197 264 LYS 198 265 GLU 199 266 ALA 200 267 GLY 201 268 SER 202 269 ILE 203 270 VAL 204 271 ARG 205 272 LEU 206 273 TYR 207 274 VAL 208 275 LYS 209 276 ARG 210 277 ARG 211 278 LYS 212 279 PRO 213 280 ALA 214 281 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP Q62696 DLG1_RAT . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SAP97NPDZ1 Rat 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $SAP97NPDZ1 'recombinant technology' . Escherichia coli . pLEIC-01 'Vector developed by Dr Mark Leyland, University of Leicester, contains a HexaHistag followed by a TEV cleavage site.' 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 $SAP97NPDZ1 1 mM '[U-98% 13C; U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 2.1.3 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'equipped with TXI 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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _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' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCACO' '3D HBHA(CO)NH' '3D HBHANH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SAP97NPDZ1 _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 69 2 MET HA H 4.470 0.001 1 2 69 2 MET HB2 H 2.024 0.001 2 3 69 2 MET HB3 H 1.937 0.001 2 4 69 2 MET C C 176.085 0.001 1 5 69 2 MET CA C 55.573 0.001 1 6 69 2 MET CB C 32.953 0.001 1 7 70 3 SER H H 8.367 0.004 1 8 70 3 SER HA H 4.350 0.001 1 9 70 3 SER HB3 H 3.771 0.001 2 10 70 3 SER C C 174.406 0.001 1 11 70 3 SER CA C 58.387 0.001 1 12 70 3 SER CB C 63.759 0.001 1 13 70 3 SER N N 117.599 0.019 1 14 71 4 LYS H H 8.320 0.004 1 15 71 4 LYS HA H 4.233 0.001 1 16 71 4 LYS HB3 H 1.660 0.001 2 17 71 4 LYS C C 176.400 0.001 1 18 71 4 LYS CA C 56.353 0.001 1 19 71 4 LYS CB C 32.947 0.001 1 20 71 4 LYS N N 123.372 0.061 1 21 72 5 GLN H H 8.352 0.004 1 22 72 5 GLN HA H 4.247 0.001 1 23 72 5 GLN HB2 H 1.899 0.001 2 24 72 5 GLN HB3 H 2.019 0.001 2 25 72 5 GLN C C 175.710 0.001 1 26 72 5 GLN CA C 55.852 0.001 1 27 72 5 GLN CB C 29.342 0.001 1 28 72 5 GLN N N 121.639 0.020 1 29 73 6 CYS H H 8.307 0.004 1 30 73 6 CYS HA H 4.404 0.005 1 31 73 6 CYS HB3 H 2.821 0.005 2 32 73 6 CYS C C 174.094 0.006 1 33 73 6 CYS CA C 58.261 0.010 1 34 73 6 CYS CB C 28.126 0.018 1 35 73 6 CYS N N 120.399 0.020 1 36 74 7 GLU H H 8.337 0.003 1 37 74 7 GLU HA H 4.490 0.001 1 38 74 7 GLU HB3 H 1.790 0.001 2 39 74 7 GLU C C 174.357 0.001 1 40 74 7 GLU CA C 54.463 0.001 1 41 74 7 GLU CB C 29.647 0.001 1 42 74 7 GLU N N 124.314 0.016 1 43 75 8 PRO HA H 4.349 0.001 1 44 75 8 PRO HB2 H 1.775 0.001 2 45 75 8 PRO HB3 H 2.166 0.001 2 46 75 8 PRO C C 176.663 0.001 1 47 75 8 PRO CA C 62.898 0.001 1 48 75 8 PRO CB C 31.960 0.001 1 49 76 9 VAL H H 8.129 0.004 1 50 76 9 VAL HA H 3.961 0.001 1 51 76 9 VAL HB H 1.913 0.001 1 52 76 9 VAL C C 176.001 0.002 1 53 76 9 VAL CA C 62.187 0.001 1 54 76 9 VAL CB C 32.678 0.002 1 55 76 9 VAL N N 120.708 0.019 1 56 77 10 GLN H H 8.405 0.004 1 57 77 10 GLN HA H 4.544 0.001 1 58 77 10 GLN HB2 H 1.825 0.001 2 59 77 10 GLN HB3 H 1.991 0.001 2 60 77 10 GLN C C 173.860 0.001 1 61 77 10 GLN CA C 53.264 0.001 1 62 77 10 GLN CB C 28.870 0.001 1 63 77 10 GLN N N 125.363 0.019 1 64 78 11 PRO HA H 4.307 0.001 1 65 78 11 PRO HB2 H 2.184 0.001 2 66 78 11 PRO HB3 H 1.834 0.001 2 67 78 11 PRO C C 177.210 0.001 1 68 78 11 PRO CA C 63.164 0.001 1 69 78 11 PRO CB C 32.066 0.001 1 70 79 12 GLY H H 8.315 0.003 1 71 79 12 GLY HA2 H 3.817 0.001 2 72 79 12 GLY HA3 H 3.781 0.008 2 73 79 12 GLY C C 173.405 0.001 1 74 79 12 GLY CA C 44.867 0.002 1 75 79 12 GLY N N 108.825 0.013 1 76 80 13 ASN H H 8.167 0.003 1 77 80 13 ASN HA H 4.732 0.001 1 78 80 13 ASN HB2 H 2.332 0.001 2 79 80 13 ASN HB3 H 2.162 0.001 2 80 80 13 ASN C C 174.107 0.001 1 81 80 13 ASN CA C 50.997 0.001 1 82 80 13 ASN CB C 38.492 0.001 1 83 80 13 ASN N N 119.053 0.016 1 84 81 14 PRO C C 176.669 0.001 1 85 81 14 PRO CA C 63.935 0.001 1 86 81 14 PRO CB C 31.633 0.001 1 87 82 15 TRP H H 7.577 0.003 1 88 82 15 TRP HA H 4.580 0.001 1 89 82 15 TRP HB2 H 3.209 0.001 2 90 82 15 TRP HB3 H 3.231 0.001 2 91 82 15 TRP C C 176.329 0.002 1 92 82 15 TRP CA C 57.417 0.008 1 93 82 15 TRP CB C 28.707 0.007 1 94 82 15 TRP N N 118.021 0.007 1 95 83 16 GLU H H 7.693 0.002 1 96 83 16 GLU HA H 4.193 0.001 1 97 83 16 GLU HB2 H 1.928 0.001 2 98 83 16 GLU HB3 H 1.774 0.001 2 99 83 16 GLU C C 176.298 0.003 1 100 83 16 GLU CA C 56.454 0.005 1 101 83 16 GLU CB C 30.335 0.017 1 102 83 16 GLU N N 121.765 0.014 1 103 84 17 SER H H 8.083 0.004 1 104 84 17 SER HA H 4.262 0.001 1 105 84 17 SER HB2 H 3.789 0.001 2 106 84 17 SER HB3 H 3.751 0.001 2 107 84 17 SER C C 175.204 0.003 1 108 84 17 SER CA C 58.720 0.002 1 109 84 17 SER CB C 63.738 0.001 1 110 84 17 SER N N 116.238 0.014 1 111 85 18 GLY H H 8.323 0.003 1 112 85 18 GLY HA3 H 3.905 0.001 1 113 85 18 GLY C C 174.301 0.002 1 114 85 18 GLY CA C 45.406 0.005 1 115 85 18 GLY N N 110.900 0.023 1 116 86 19 SER H H 8.083 0.004 1 117 86 19 SER HA H 4.353 0.001 1 118 86 19 SER HB3 H 3.762 0.001 2 119 86 19 SER C C 174.665 0.004 1 120 86 19 SER CA C 58.388 0.025 1 121 86 19 SER CB C 63.786 0.003 1 122 86 19 SER N N 115.480 0.014 1 123 87 20 LEU H H 8.199 0.003 1 124 87 20 LEU HA H 4.295 0.001 1 125 87 20 LEU HB3 H 1.536 0.001 2 126 87 20 LEU C C 177.582 0.003 1 127 87 20 LEU CA C 55.283 0.015 1 128 87 20 LEU CB C 42.184 0.018 1 129 87 20 LEU N N 123.719 0.019 1 130 88 21 SER H H 8.175 0.002 1 131 88 21 SER HA H 4.355 0.001 1 132 88 21 SER HB2 H 3.757 0.001 2 133 88 21 SER HB3 H 3.786 0.001 2 134 88 21 SER C C 174.725 0.005 1 135 88 21 SER CA C 58.409 0.001 1 136 88 21 SER CB C 63.708 0.001 1 137 88 21 SER N N 116.209 0.033 1 138 89 22 SER H H 8.188 0.004 1 139 89 22 SER HA H 4.345 0.001 1 140 89 22 SER HB2 H 3.817 0.001 2 141 89 22 SER HB3 H 3.760 0.001 2 142 89 22 SER C C 174.217 0.001 1 143 89 22 SER CA C 58.432 0.001 1 144 89 22 SER CB C 63.703 0.001 1 145 89 22 SER N N 117.740 0.017 1 146 90 23 ALA H H 8.105 0.002 1 147 90 23 ALA HA H 4.221 0.001 1 148 90 23 ALA HB H 1.287 0.001 1 149 90 23 ALA C C 177.290 0.002 1 150 90 23 ALA CA C 52.446 0.005 1 151 90 23 ALA CB C 19.149 0.008 1 152 90 23 ALA N N 125.519 0.010 1 153 91 24 ALA H H 8.053 0.003 1 154 91 24 ALA HA H 4.219 0.001 1 155 91 24 ALA HB H 1.282 0.001 1 156 91 24 ALA C C 177.697 0.001 1 157 91 24 ALA CA C 52.436 0.001 1 158 91 24 ALA CB C 19.097 0.001 1 159 91 24 ALA N N 123.019 0.010 1 160 92 25 VAL H H 7.996 0.004 1 161 92 25 VAL HA H 4.092 0.001 1 162 92 25 VAL HB H 2.008 0.001 1 163 92 25 VAL C C 176.438 0.003 1 164 92 25 VAL CA C 62.240 0.018 1 165 92 25 VAL CB C 32.685 0.008 1 166 92 25 VAL N N 119.263 0.028 1 167 93 26 THR H H 8.144 0.003 1 168 93 26 THR HA H 4.341 0.001 1 169 93 26 THR HB H 4.183 0.001 1 170 93 26 THR C C 174.561 0.001 1 171 93 26 THR CA C 61.504 0.027 1 172 93 26 THR CB C 69.897 0.028 1 173 93 26 THR N N 117.492 0.022 1 174 94 27 SER H H 8.266 0.003 1 175 94 27 SER HA H 4.355 0.001 1 176 94 27 SER HB2 H 3.756 0.001 2 177 94 27 SER HB3 H 3.803 0.001 2 178 94 27 SER C C 174.509 0.021 1 179 94 27 SER CA C 58.513 0.036 1 180 94 27 SER CB C 63.765 0.021 1 181 94 27 SER N N 117.841 0.013 1 182 95 28 GLU H H 8.358 0.002 1 183 95 28 GLU HA H 4.228 0.001 1 184 95 28 GLU HB2 H 1.977 0.001 2 185 95 28 GLU HB3 H 1.838 0.001 2 186 95 28 GLU C C 176.281 0.004 1 187 95 28 GLU CA C 56.671 0.016 1 188 95 28 GLU CB C 30.224 0.011 1 189 95 28 GLU N N 122.477 0.009 1 190 96 29 SER H H 8.178 0.003 1 191 96 29 SER HA H 4.355 0.001 1 192 96 29 SER HB3 H 3.741 0.002 2 193 96 29 SER C C 173.933 0.003 1 194 96 29 SER CA C 58.222 0.026 1 195 96 29 SER CB C 63.742 0.007 1 196 96 29 SER N N 116.565 0.080 1 197 97 30 LEU H H 8.135 0.004 1 198 97 30 LEU HA H 4.550 0.001 1 199 97 30 LEU HB3 H 1.484 0.001 2 200 97 30 LEU C C 175.251 0.001 1 201 97 30 LEU CA C 53.018 0.001 1 202 97 30 LEU CB C 41.708 0.001 1 203 97 30 LEU N N 125.104 0.017 1 204 98 31 PRO HA H 4.323 0.001 1 205 98 31 PRO HB2 H 1.843 0.001 2 206 98 31 PRO HB3 H 2.207 0.001 2 207 98 31 PRO C C 177.656 0.001 1 208 98 31 PRO CA C 63.471 0.001 1 209 98 31 PRO CB C 31.820 0.001 1 210 99 32 GLY H H 8.440 0.003 1 211 99 32 GLY HA2 H 3.862 0.001 2 212 99 32 GLY HA3 H 3.862 0.001 2 213 99 32 GLY C C 174.809 0.001 1 214 99 32 GLY CA C 45.322 0.002 1 215 99 32 GLY N N 109.585 0.011 1 216 100 33 GLY H H 8.163 0.002 1 217 100 33 GLY HA3 H 3.864 0.001 2 218 100 33 GLY C C 173.951 0.001 1 219 100 33 GLY CA C 45.235 0.001 1 220 100 33 GLY N N 108.448 0.007 1 221 101 34 LEU H H 7.961 0.003 1 222 101 34 LEU HA H 4.313 0.002 1 223 101 34 LEU HB3 H 1.511 0.002 2 224 101 34 LEU C C 177.139 0.001 1 225 101 34 LEU CA C 54.884 0.020 1 226 101 34 LEU CB C 42.586 0.001 1 227 101 34 LEU N N 121.191 0.008 1 228 102 35 SER H H 8.239 0.003 1 229 102 35 SER HA H 4.649 0.001 1 230 102 35 SER HB2 H 3.660 0.001 2 231 102 35 SER HB3 H 3.786 0.001 2 232 102 35 SER C C 171.849 0.001 1 233 102 35 SER CA C 56.478 0.001 1 234 102 35 SER CB C 63.137 0.001 1 235 102 35 SER N N 118.217 0.014 1 236 104 37 PRO HA H 4.359 0.001 1 237 104 37 PRO HB2 H 1.809 0.001 2 238 104 37 PRO HB3 H 2.179 0.001 2 239 104 37 PRO C C 176.828 0.001 1 240 104 37 PRO CA C 62.838 0.001 1 241 104 37 PRO CB C 31.821 0.001 1 242 105 38 VAL H H 8.105 0.004 1 243 105 38 VAL HA H 3.953 0.001 1 244 105 38 VAL HB H 1.942 0.001 1 245 105 38 VAL C C 176.217 0.002 1 246 105 38 VAL CA C 62.281 0.036 1 247 105 38 VAL CB C 32.781 0.055 1 248 105 38 VAL N N 120.217 0.025 1 249 106 39 GLU H H 8.381 0.003 1 250 106 39 GLU HA H 4.143 0.001 1 251 106 39 GLU HB2 H 1.856 0.001 2 252 106 39 GLU HB3 H 1.790 0.001 2 253 106 39 GLU C C 176.126 0.001 1 254 106 39 GLU CA C 56.476 0.001 1 255 106 39 GLU CB C 30.187 0.001 1 256 106 39 GLU N N 124.724 0.022 1 257 107 40 LYS H H 8.160 0.004 1 258 107 40 LYS HA H 4.097 0.001 1 259 107 40 LYS HB3 H 1.561 0.001 2 260 107 40 LYS C C 176.063 0.001 1 261 107 40 LYS CA C 56.401 0.001 1 262 107 40 LYS CB C 33.024 0.001 1 263 107 40 LYS N N 122.310 0.013 1 264 108 41 TYR H H 8.061 0.004 1 265 108 41 TYR HA H 4.408 0.001 1 266 108 41 TYR HB3 H 2.822 0.001 2 267 108 41 TYR C C 175.383 0.013 1 268 108 41 TYR CA C 57.736 0.029 1 269 108 41 TYR CB C 38.609 0.017 1 270 108 41 TYR N N 120.920 0.017 1 271 109 42 ARG H H 7.947 0.003 1 272 109 42 ARG HA H 4.148 0.001 1 273 109 42 ARG HB2 H 1.560 0.001 2 274 109 42 ARG HB3 H 1.505 0.001 2 275 109 42 ARG C C 175.429 0.001 1 276 109 42 ARG CA C 55.704 0.007 1 277 109 42 ARG CB C 30.824 0.014 1 278 109 42 ARG N N 123.144 0.024 1 279 110 43 TYR H H 8.014 0.003 1 280 110 43 TYR HA H 4.404 0.001 1 281 110 43 TYR HB2 H 2.950 0.001 2 282 110 43 TYR HB3 H 2.847 0.001 2 283 110 43 TYR C C 175.709 0.001 1 284 110 43 TYR CA C 58.035 0.046 1 285 110 43 TYR CB C 38.484 0.003 1 286 110 43 TYR N N 121.444 0.017 1 287 111 44 GLN H H 8.165 0.003 1 288 111 44 GLN HA H 4.172 0.001 1 289 111 44 GLN HB3 H 1.838 0.001 2 290 111 44 GLN C C 175.230 0.001 1 291 111 44 GLN CA C 55.873 0.012 1 292 111 44 GLN CB C 29.558 0.004 1 293 111 44 GLN N N 121.627 0.032 1 294 112 45 ASP H H 8.172 0.002 1 295 112 45 ASP HA H 4.450 0.001 1 296 112 45 ASP HB2 H 2.511 0.001 2 297 112 45 ASP HB3 H 2.630 0.001 2 298 112 45 ASP C C 176.088 0.003 1 299 112 45 ASP CA C 54.666 0.006 1 300 112 45 ASP CB C 41.057 0.005 1 301 112 45 ASP N N 121.275 0.009 1 302 113 46 GLU H H 8.181 0.002 1 303 113 46 GLU HA H 4.159 0.001 1 304 113 46 GLU HB2 H 1.966 0.001 2 305 113 46 GLU HB3 H 1.836 0.001 2 306 113 46 GLU C C 176.258 0.002 1 307 113 46 GLU CA C 56.584 0.001 1 308 113 46 GLU CB C 30.366 0.013 1 309 113 46 GLU N N 120.386 0.023 1 310 114 47 GLU H H 8.283 0.001 1 311 114 47 GLU HA H 4.166 0.001 1 312 114 47 GLU HB2 H 1.843 0.001 2 313 114 47 GLU HB3 H 1.915 0.001 2 314 114 47 GLU C C 176.073 0.001 1 315 114 47 GLU CA C 56.488 0.001 1 316 114 47 GLU CB C 30.292 0.001 1 317 114 47 GLU N N 121.917 0.014 1 318 115 48 VAL H H 8.038 0.003 1 319 115 48 VAL HA H 3.997 0.001 1 320 115 48 VAL HB H 1.920 0.005 1 321 115 48 VAL C C 175.814 0.001 1 322 115 48 VAL CA C 61.985 0.017 1 323 115 48 VAL CB C 32.659 0.025 1 324 115 48 VAL N N 121.986 0.031 1 325 116 49 LEU H H 8.340 0.004 1 326 116 49 LEU HA H 4.522 0.001 1 327 116 49 LEU HB3 H 1.477 0.001 2 328 116 49 LEU C C 175.342 0.001 1 329 116 49 LEU CA C 52.879 0.001 1 330 116 49 LEU CB C 41.627 0.001 1 331 116 49 LEU N N 127.789 0.021 1 332 117 50 PRO HA H 4.299 0.001 1 333 117 50 PRO HB2 H 2.230 0.001 2 334 117 50 PRO HB3 H 1.855 0.001 2 335 117 50 PRO C C 177.231 0.001 1 336 117 50 PRO CA C 63.435 0.001 1 337 117 50 PRO CB C 31.939 0.001 1 338 118 51 SER H H 8.184 0.003 1 339 118 51 SER HA H 4.253 0.001 1 340 118 51 SER HB2 H 3.752 0.001 2 341 118 51 SER HB3 H 3.815 0.001 2 342 118 51 SER C C 174.781 0.001 1 343 118 51 SER CA C 58.765 0.018 1 344 118 51 SER CB C 63.565 0.011 1 345 118 51 SER N N 114.973 0.012 1 346 119 52 GLU H H 8.294 0.001 1 347 119 52 GLU HA H 4.216 0.001 1 348 119 52 GLU HB2 H 1.867 0.001 2 349 119 52 GLU HB3 H 1.973 0.001 2 350 119 52 GLU C C 176.186 0.004 1 351 119 52 GLU CA C 56.510 0.013 1 352 119 52 GLU CB C 30.181 0.069 1 353 119 52 GLU N N 122.026 0.023 1 354 120 53 ARG H H 8.076 0.002 1 355 120 53 ARG HA H 4.235 0.001 1 356 120 53 ARG HB2 H 1.649 0.001 2 357 120 53 ARG HB3 H 1.743 0.001 2 358 120 53 ARG C C 175.923 0.002 1 359 120 53 ARG CA C 56.010 0.049 1 360 120 53 ARG CB C 30.679 0.023 1 361 120 53 ARG N N 121.554 0.016 1 362 121 54 ILE H H 8.065 0.005 1 363 121 54 ILE HA H 4.102 0.001 1 364 121 54 ILE HB H 1.757 0.001 1 365 121 54 ILE C C 176.004 0.016 1 366 121 54 ILE CA C 60.788 0.015 1 367 121 54 ILE CB C 38.714 0.020 1 368 121 54 ILE N N 122.291 0.019 1 369 122 55 SER H H 8.347 0.003 1 370 122 55 SER HA H 4.668 0.001 1 371 122 55 SER C C 172.444 0.001 1 372 122 55 SER CA C 56.187 0.001 1 373 122 55 SER CB C 63.337 0.001 1 374 122 55 SER N N 121.595 0.033 1 375 123 56 PRO HA H 4.220 0.001 1 376 123 56 PRO HB2 H 1.812 0.001 2 377 123 56 PRO HB3 H 2.194 0.001 2 378 123 56 PRO C C 176.664 0.001 1 379 123 56 PRO CA C 63.067 0.001 1 380 123 56 PRO CB C 32.027 0.001 1 381 124 57 GLN H H 8.357 0.004 1 382 124 57 GLN HA H 4.213 0.003 1 383 124 57 GLN HB2 H 1.849 0.002 2 384 124 57 GLN HB3 H 1.952 0.001 2 385 124 57 GLN C C 175.767 0.002 1 386 124 57 GLN CA C 55.683 0.017 1 387 124 57 GLN CB C 29.443 0.026 1 388 124 57 GLN N N 120.807 0.038 1 389 125 58 VAL H H 8.133 0.004 1 390 125 58 VAL HA H 4.336 0.001 1 391 125 58 VAL HB H 1.983 0.001 1 392 125 58 VAL C C 174.364 0.001 1 393 125 58 VAL CA C 59.756 0.001 1 394 125 58 VAL CB C 32.533 0.001 1 395 125 58 VAL N N 122.992 0.027 1 396 126 59 PRO HA H 4.296 0.001 1 397 126 59 PRO HB2 H 1.817 0.001 2 398 126 59 PRO HB3 H 2.203 0.001 2 399 126 59 PRO C C 176.581 0.001 1 400 126 59 PRO CA C 63.202 0.001 1 401 126 59 PRO CB C 32.033 0.001 1 402 127 60 ASN H H 8.400 0.004 1 403 127 60 ASN HA H 4.528 0.001 1 404 127 60 ASN HB2 H 2.674 0.001 2 405 127 60 ASN HB3 H 2.707 0.001 2 406 127 60 ASN C C 175.093 0.002 1 407 127 60 ASN CA C 53.452 0.009 1 408 127 60 ASN CB C 38.814 0.002 1 409 127 60 ASN N N 118.808 0.015 1 410 128 61 GLU H H 8.263 0.003 1 411 128 61 GLU HA H 4.198 0.001 1 412 128 61 GLU HB2 H 1.824 0.001 2 413 128 61 GLU HB3 H 1.929 0.001 2 414 128 61 GLU C C 176.059 0.001 1 415 128 61 GLU CA C 56.611 0.012 1 416 128 61 GLU CB C 30.372 0.002 1 417 128 61 GLU N N 121.168 0.029 1 418 129 62 VAL H H 8.101 0.004 1 419 129 62 VAL HA H 3.981 0.001 1 420 129 62 VAL HB H 1.962 0.001 1 421 129 62 VAL C C 175.953 0.077 1 422 129 62 VAL CA C 62.369 0.012 1 423 129 62 VAL CB C 32.505 0.031 1 424 129 62 VAL N N 121.749 0.029 1 425 130 63 LEU H H 8.225 0.003 1 426 130 63 LEU HA H 4.314 0.001 1 427 130 63 LEU HB2 H 1.571 0.001 2 428 130 63 LEU HB3 H 1.478 0.001 2 429 130 63 LEU C C 177.275 0.001 1 430 130 63 LEU CA C 54.837 0.001 1 431 130 63 LEU CB C 42.519 0.003 1 432 130 63 LEU N N 126.214 0.019 1 433 131 64 GLY H H 8.130 0.003 1 434 131 64 GLY HA2 H 4.068 0.001 2 435 131 64 GLY HA3 H 3.915 0.001 2 436 131 64 GLY C C 171.910 0.001 1 437 131 64 GLY CA C 44.656 0.001 1 438 131 64 GLY N N 109.733 0.011 1 439 132 65 PRO HA H 4.309 0.001 1 440 132 65 PRO HB2 H 2.171 0.001 2 441 132 65 PRO HB3 H 1.835 0.001 2 442 132 65 PRO C C 177.094 0.001 1 443 132 65 PRO CA C 63.298 0.001 1 444 132 65 PRO CB C 32.004 0.001 1 445 133 66 GLU H H 8.551 0.001 1 446 133 66 GLU HA H 4.144 0.001 1 447 133 66 GLU HB2 H 1.933 0.001 2 448 133 66 GLU HB3 H 1.852 0.001 2 449 133 66 GLU C C 176.424 0.002 1 450 133 66 GLU CA C 56.780 0.001 1 451 133 66 GLU CB C 29.723 0.001 1 452 133 66 GLU N N 120.286 0.015 1 453 134 67 LEU H H 8.080 0.004 1 454 134 67 LEU HA H 4.252 0.001 1 455 134 67 LEU HB2 H 1.535 0.001 2 456 134 67 LEU HB3 H 1.441 0.001 2 457 134 67 LEU C C 176.960 0.002 1 458 134 67 LEU CA C 55.050 0.025 1 459 134 67 LEU CB C 42.271 0.007 1 460 134 67 LEU N N 123.107 0.019 1 461 135 68 VAL H H 7.835 0.003 1 462 135 68 VAL HA H 3.944 0.001 1 463 135 68 VAL HB H 1.891 0.001 1 464 135 68 VAL C C 175.657 0.002 1 465 135 68 VAL CA C 62.255 0.014 1 466 135 68 VAL CB C 32.750 0.019 1 467 135 68 VAL N N 120.544 0.010 1 468 136 69 HIS H H 8.416 0.009 1 469 136 69 HIS HA H 4.610 0.001 1 470 136 69 HIS HB2 H 2.990 0.001 2 471 136 69 HIS HB3 H 3.064 0.001 2 472 136 69 HIS C C 174.790 0.001 1 473 136 69 HIS CA C 55.524 0.017 1 474 136 69 HIS CB C 29.775 0.026 1 475 136 69 HIS N N 123.237 0.017 1 476 137 70 VAL H H 8.096 0.008 1 477 137 70 VAL HA H 4.017 0.001 1 478 137 70 VAL HB H 1.952 0.001 1 479 137 70 VAL C C 175.859 0.001 1 480 137 70 VAL CA C 62.288 0.034 1 481 137 70 VAL CB C 32.788 0.022 1 482 137 70 VAL N N 122.615 0.021 1 483 138 71 SER H H 8.360 0.005 1 484 138 71 SER HA H 4.347 0.001 1 485 138 71 SER HB3 H 3.784 0.001 2 486 138 71 SER C C 174.539 0.004 1 487 138 71 SER CA C 58.279 0.021 1 488 138 71 SER CB C 63.859 0.012 1 489 138 71 SER N N 119.553 0.024 1 490 139 72 GLU H H 8.465 0.004 1 491 139 72 GLU HA H 4.183 0.001 1 492 139 72 GLU HB2 H 1.977 0.001 2 493 139 72 GLU HB3 H 1.872 0.001 2 494 139 72 GLU C C 176.601 0.001 1 495 139 72 GLU CA C 56.872 0.003 1 496 139 72 GLU CB C 30.112 0.025 1 497 139 72 GLU N N 123.441 0.023 1 498 140 73 LYS H H 8.215 0.004 1 499 140 73 LYS HA H 4.214 0.001 1 500 140 73 LYS HB2 H 1.655 0.001 2 501 140 73 LYS HB3 H 1.727 0.001 2 502 140 73 LYS C C 176.664 0.013 1 503 140 73 LYS CA C 56.516 0.036 1 504 140 73 LYS CB C 33.029 0.002 1 505 140 73 LYS N N 121.976 0.017 1 506 141 74 SER H H 8.279 0.003 1 507 141 74 SER HA H 4.336 0.001 1 508 141 74 SER HB3 H 3.804 0.001 2 509 141 74 SER C C 174.860 0.002 1 510 141 74 SER CA C 58.437 0.014 1 511 141 74 SER CB C 63.708 0.027 1 512 141 74 SER N N 117.077 0.017 1 513 142 75 LEU H H 8.241 0.003 1 514 142 75 LEU HA H 4.243 0.001 1 515 142 75 LEU HB2 H 1.590 0.001 2 516 142 75 LEU HB3 H 1.522 0.001 2 517 142 75 LEU C C 177.725 0.001 1 518 142 75 LEU CA C 55.719 0.008 1 519 142 75 LEU CB C 42.054 0.020 1 520 142 75 LEU N N 124.001 0.018 1 521 143 76 SER H H 8.129 0.003 1 522 143 76 SER HA H 4.309 0.001 1 523 143 76 SER C C 174.762 0.003 1 524 143 76 SER CA C 58.795 0.006 1 525 143 76 SER CB C 63.605 0.003 1 526 143 76 SER N N 115.283 0.009 1 527 144 77 GLU H H 8.168 0.001 1 528 144 77 GLU HA H 4.202 0.001 1 529 144 77 GLU HB2 H 1.889 0.001 2 530 144 77 GLU HB3 H 1.982 0.001 2 531 144 77 GLU C C 176.710 0.001 1 532 144 77 GLU CA C 56.914 0.001 1 533 144 77 GLU CB C 30.084 0.016 1 534 144 77 GLU N N 122.286 0.010 1 535 145 78 ILE H H 7.867 0.003 1 536 145 78 ILE HA H 4.004 0.001 1 537 145 78 ILE HB H 1.773 0.001 1 538 145 78 ILE C C 176.331 0.002 1 539 145 78 ILE CA C 61.629 0.050 1 540 145 78 ILE CB C 38.588 0.016 1 541 145 78 ILE N N 120.244 0.019 1 542 146 79 GLU H H 8.200 0.002 1 543 146 79 GLU HA H 4.117 0.001 1 544 146 79 GLU HB2 H 1.911 0.001 2 545 146 79 GLU HB3 H 1.841 0.001 2 546 146 79 GLU C C 176.224 0.002 1 547 146 79 GLU CA C 56.787 0.001 1 548 146 79 GLU CB C 30.209 0.020 1 549 146 79 GLU N N 123.359 0.013 1 550 147 80 ASN H H 8.252 0.002 1 551 147 80 ASN HA H 4.600 0.001 1 552 147 80 ASN HB2 H 2.727 0.001 2 553 147 80 ASN HB3 H 2.639 0.001 2 554 147 80 ASN C C 175.325 0.001 1 555 147 80 ASN CA C 53.153 0.020 1 556 147 80 ASN CB C 38.745 0.003 1 557 147 80 ASN N N 119.557 0.011 1 558 148 81 VAL H H 7.916 0.003 1 559 148 81 VAL HA H 3.932 0.001 1 560 148 81 VAL HB H 1.941 0.001 1 561 148 81 VAL C C 176.096 0.003 1 562 148 81 VAL CA C 62.672 0.001 1 563 148 81 VAL CB C 32.283 0.001 1 564 148 81 VAL N N 119.778 0.014 1 565 149 82 HIS H H 8.301 0.009 1 566 149 82 HIS HA H 4.547 0.001 1 567 149 82 HIS HB2 H 2.974 0.001 2 568 149 82 HIS HB3 H 3.093 0.001 2 569 149 82 HIS C C 175.466 0.001 1 570 149 82 HIS CA C 55.924 0.004 1 571 149 82 HIS CB C 29.687 0.022 1 572 149 82 HIS N N 121.366 0.018 1 573 150 83 GLY H H 8.160 0.006 1 574 150 83 GLY HA3 H 3.777 0.001 1 575 150 83 GLY C C 173.559 0.001 1 576 150 83 GLY CA C 45.169 0.009 1 577 150 83 GLY N N 109.541 0.020 1 578 151 84 PHE H H 8.018 0.004 1 579 151 84 PHE HA H 4.511 0.001 1 580 151 84 PHE HB3 H 2.958 0.001 2 581 151 84 PHE C C 175.500 0.001 1 582 151 84 PHE CA C 57.801 0.035 1 583 151 84 PHE CB C 39.602 0.022 1 584 151 84 PHE N N 120.219 0.016 1 585 152 85 VAL H H 7.955 0.004 1 586 152 85 VAL HA H 3.951 0.001 1 587 152 85 VAL HB H 1.836 0.001 1 588 152 85 VAL C C 175.426 0.001 1 589 152 85 VAL CA C 61.944 0.018 1 590 152 85 VAL CB C 32.994 0.024 1 591 152 85 VAL N N 122.956 0.053 1 592 153 86 SER H H 8.212 0.004 1 593 153 86 SER C C 174.393 0.001 1 594 153 86 SER CA C 58.066 0.001 1 595 153 86 SER CB C 63.816 0.001 1 596 153 86 SER N N 119.352 0.022 1 597 159 92 PRO HB2 H 2.183 0.001 2 598 159 92 PRO HB3 H 1.814 0.001 2 599 160 93 ILE H H 8.016 0.005 1 600 160 93 ILE HA H 4.000 0.001 1 601 160 93 ILE HB H 1.716 0.001 1 602 160 93 ILE C C 176.163 0.003 1 603 160 93 ILE CA C 61.109 0.025 1 604 160 93 ILE CB C 38.457 0.017 1 605 160 93 ILE N N 120.760 0.020 1 606 161 94 LYS H H 8.220 0.004 1 607 161 94 LYS HA H 4.211 0.001 1 608 161 94 LYS C C 175.743 0.001 1 609 161 94 LYS CA C 55.914 0.001 1 610 161 94 LYS CB C 32.985 0.001 1 611 161 94 LYS N N 125.877 0.032 1 612 162 95 ALA H H 8.190 0.004 1 613 162 95 ALA HA H 4.201 0.001 1 614 162 95 ALA HB H 1.256 0.001 1 615 162 95 ALA C C 176.954 0.002 1 616 162 95 ALA CA C 52.034 0.023 1 617 162 95 ALA CB C 19.416 0.010 1 618 162 95 ALA N N 125.584 0.026 1 619 163 96 ASN H H 8.355 0.005 1 620 163 96 ASN HA H 4.860 0.001 1 621 163 96 ASN HB2 H 2.672 0.001 2 622 163 96 ASN HB3 H 2.515 0.001 2 623 163 96 ASN C C 176.956 0.001 1 624 163 96 ASN CA C 51.338 0.001 1 625 163 96 ASN CB C 38.543 0.001 1 626 163 96 ASN N N 119.269 0.018 1 627 166 99 PRO HA H 4.333 0.001 1 628 166 99 PRO HB2 H 1.753 0.001 2 629 166 99 PRO HB3 H 2.165 0.001 2 630 166 99 PRO C C 176.598 0.001 1 631 166 99 PRO CA C 62.724 0.001 1 632 166 99 PRO CB C 31.944 0.001 1 633 167 100 VAL H H 8.056 0.005 1 634 167 100 VAL HA H 3.953 0.001 1 635 167 100 VAL HB H 1.912 0.001 1 636 167 100 VAL C C 175.860 0.002 1 637 167 100 VAL CA C 62.269 0.084 1 638 167 100 VAL CB C 32.653 0.029 1 639 167 100 VAL N N 120.380 0.038 1 640 168 101 LEU H H 8.247 0.004 1 641 168 101 LEU HA H 4.337 0.001 1 642 168 101 LEU HB2 H 1.459 0.001 2 643 168 101 LEU HB3 H 1.522 0.001 2 644 168 101 LEU C C 176.771 0.001 1 645 168 101 LEU CA C 54.772 0.007 1 646 168 101 LEU CB C 42.318 0.014 1 647 168 101 LEU N N 126.723 0.021 1 648 169 102 VAL H H 8.046 0.004 1 649 169 102 VAL HA H 4.033 0.001 1 650 169 102 VAL HB H 1.945 0.001 1 651 169 102 VAL C C 175.464 0.001 1 652 169 102 VAL CA C 61.902 0.032 1 653 169 102 VAL CB C 32.959 0.006 1 654 169 102 VAL N N 121.396 0.029 1 655 170 103 ASN H H 8.478 0.004 1 656 170 103 ASN HA H 4.695 0.001 1 657 170 103 ASN HB2 H 2.773 0.001 2 658 170 103 ASN HB3 H 2.674 0.001 2 659 170 103 ASN C C 175.497 0.011 1 660 170 103 ASN CA C 53.092 0.004 1 661 170 103 ASN CB C 38.905 0.005 1 662 170 103 ASN N N 122.877 0.017 1 663 171 104 THR H H 8.169 0.004 1 664 171 104 THR HA H 4.216 0.001 1 665 171 104 THR C C 174.472 0.001 1 666 171 104 THR CA C 62.025 0.019 1 667 171 104 THR CB C 69.375 0.037 1 668 171 104 THR N N 114.673 0.021 1 669 172 105 ASP H H 8.269 0.002 1 670 172 105 ASP HA H 4.524 0.001 1 671 172 105 ASP HB2 H 2.577 0.001 2 672 172 105 ASP HB3 H 2.610 0.001 2 673 172 105 ASP C C 176.315 0.002 1 674 172 105 ASP CA C 54.743 0.029 1 675 172 105 ASP CB C 41.035 0.004 1 676 172 105 ASP N N 122.441 0.023 1 677 173 106 SER H H 8.085 0.002 1 678 173 106 SER HA H 4.329 0.001 1 679 173 106 SER HB3 H 3.769 0.001 2 680 173 106 SER C C 174.441 0.001 1 681 173 106 SER CA C 58.353 0.001 1 682 173 106 SER CB C 63.685 0.001 1 683 173 106 SER N N 115.476 0.013 1 684 174 107 LEU H H 8.135 0.003 1 685 174 107 LEU HA H 4.249 0.001 1 686 174 107 LEU HB2 H 1.565 0.001 2 687 174 107 LEU HB3 H 1.496 0.001 2 688 174 107 LEU C C 177.279 0.003 1 689 174 107 LEU CA C 55.195 0.036 1 690 174 107 LEU CB C 42.229 0.014 1 691 174 107 LEU N N 123.731 0.016 1 692 175 108 GLU H H 8.201 0.002 1 693 175 108 GLU HA H 4.216 0.001 1 694 175 108 GLU HB2 H 1.808 0.001 2 695 175 108 GLU HB3 H 1.929 0.001 2 696 175 108 GLU C C 176.254 0.003 1 697 175 108 GLU CA C 56.330 0.012 1 698 175 108 GLU CB C 30.249 0.003 1 699 175 108 GLU N N 121.110 0.007 1 700 176 109 THR H H 8.108 0.004 1 701 176 109 THR HA H 4.452 0.001 1 702 176 109 THR HB H 4.008 0.001 1 703 176 109 THR C C 172.647 0.001 1 704 176 109 THR CA C 59.801 0.001 1 705 176 109 THR CB C 69.662 0.001 1 706 176 109 THR N N 118.091 0.023 1 707 177 110 PRO HA H 4.336 0.001 1 708 177 110 PRO HB2 H 2.112 0.001 2 709 177 110 PRO HB3 H 1.598 0.001 2 710 177 110 PRO C C 176.673 0.001 1 711 177 110 PRO CA C 63.066 0.001 1 712 177 110 PRO CB C 32.062 0.001 1 713 178 111 THR H H 8.097 0.004 1 714 178 111 THR HA H 4.107 0.001 1 715 178 111 THR HB H 3.986 0.001 1 716 178 111 THR C C 174.085 0.004 1 717 178 111 THR CA C 61.938 0.023 1 718 178 111 THR CB C 69.786 0.004 1 719 178 111 THR N N 114.540 0.032 1 720 179 112 TYR H H 8.022 0.004 1 721 179 112 TYR HA H 4.490 0.001 1 722 179 112 TYR HB2 H 2.802 0.001 2 723 179 112 TYR HB3 H 2.860 0.001 2 724 179 112 TYR C C 175.435 0.001 1 725 179 112 TYR CA C 57.615 0.008 1 726 179 112 TYR CB C 38.714 0.009 1 727 179 112 TYR N N 122.388 0.026 1 728 180 113 VAL H H 7.896 0.003 1 729 180 113 VAL HA H 3.969 0.001 1 730 180 113 VAL HB H 1.890 0.001 1 731 180 113 VAL C C 175.456 0.001 1 732 180 113 VAL CA C 62.003 0.057 1 733 180 113 VAL CB C 32.859 0.002 1 734 180 113 VAL N N 121.778 0.035 1 735 181 114 ASN H H 8.349 0.003 1 736 181 114 ASN HA H 4.615 0.001 1 737 181 114 ASN HB2 H 2.751 0.001 2 738 181 114 ASN HB3 H 2.661 0.001 2 739 181 114 ASN CA C 53.250 0.008 1 740 181 114 ASN CB C 39.010 0.013 1 741 181 114 ASN N N 122.310 0.031 1 742 182 115 GLY H H 8.269 0.002 1 743 182 115 GLY HA3 H 3.923 0.001 1 744 182 115 GLY C C 174.238 0.003 1 745 182 115 GLY CA C 45.452 0.012 1 746 182 115 GLY N N 109.640 0.021 1 747 183 116 THR H H 8.112 0.004 1 748 183 116 THR HA H 4.382 0.001 1 749 183 116 THR HB H 4.229 0.001 1 750 183 116 THR C C 174.504 0.002 1 751 183 116 THR CA C 61.746 0.055 1 752 183 116 THR CB C 70.211 0.030 1 753 183 116 THR N N 112.840 0.013 1 754 184 117 ASP H H 8.392 0.002 1 755 184 117 ASP HA H 4.601 0.001 1 756 184 117 ASP HB2 H 2.629 0.001 2 757 184 117 ASP HB3 H 2.808 0.001 2 758 184 117 ASP C C 176.196 0.001 1 759 184 117 ASP CA C 54.733 0.001 1 760 184 117 ASP CB C 41.411 0.001 1 761 184 117 ASP N N 122.558 0.025 1 762 185 118 ALA H H 8.111 0.004 1 763 185 118 ALA HA H 4.204 0.001 1 764 185 118 ALA HB H 1.283 0.001 1 765 185 118 ALA C C 177.202 0.005 1 766 185 118 ALA CA C 53.122 0.024 1 767 185 118 ALA CB C 19.212 0.001 1 768 185 118 ALA N N 123.339 0.021 1 769 186 119 ASP H H 8.216 0.003 1 770 186 119 ASP HA H 4.548 0.001 1 771 186 119 ASP HB3 H 2.384 0.001 2 772 186 119 ASP C C 175.041 0.004 1 773 186 119 ASP CA C 54.698 0.016 1 774 186 119 ASP CB C 41.766 0.047 1 775 186 119 ASP N N 117.219 0.020 1 776 187 120 TYR H H 7.842 0.004 1 777 187 120 TYR HA H 4.972 0.001 1 778 187 120 TYR HB2 H 2.302 0.001 2 779 187 120 TYR HB3 H 2.484 0.001 2 780 187 120 TYR C C 174.094 0.004 1 781 187 120 TYR CA C 57.234 0.026 1 782 187 120 TYR CB C 41.915 0.030 1 783 187 120 TYR N N 117.809 0.023 1 784 188 121 GLU H H 8.969 0.003 1 785 188 121 GLU HA H 4.623 0.001 1 786 188 121 GLU HB3 H 1.768 0.001 2 787 188 121 GLU C C 173.410 0.002 1 788 188 121 GLU CA C 54.026 0.001 1 789 188 121 GLU CB C 32.939 0.063 1 790 188 121 GLU N N 119.553 0.029 1 791 189 122 TYR H H 8.422 0.007 1 792 189 122 TYR HA H 5.325 0.001 1 793 189 122 TYR HB3 H 2.662 0.001 2 794 189 122 TYR C C 176.143 0.001 1 795 189 122 TYR CA C 56.264 0.001 1 796 189 122 TYR CB C 41.084 0.057 1 797 189 122 TYR N N 120.847 0.021 1 798 190 123 GLU H H 8.573 0.003 1 799 190 123 GLU HA H 4.491 0.001 1 800 190 123 GLU HB2 H 1.643 0.001 2 801 190 123 GLU HB3 H 1.594 0.001 2 802 190 123 GLU C C 173.083 0.001 1 803 190 123 GLU CA C 55.921 0.001 1 804 190 123 GLU CB C 34.000 0.001 1 805 190 123 GLU N N 121.908 0.014 1 806 191 124 GLU H H 8.600 0.005 1 807 191 124 GLU HA H 5.214 0.001 1 808 191 124 GLU HB2 H 1.847 0.001 2 809 191 124 GLU HB3 H 1.990 0.001 2 810 191 124 GLU C C 175.438 0.006 1 811 191 124 GLU CA C 54.974 0.004 1 812 191 124 GLU CB C 31.354 0.068 1 813 191 124 GLU N N 125.129 0.031 1 814 192 125 ILE H H 9.202 0.003 1 815 192 125 ILE HA H 3.942 0.001 1 816 192 125 ILE HB H 1.363 0.001 1 817 192 125 ILE C C 173.839 0.019 1 818 192 125 ILE CA C 61.131 0.011 1 819 192 125 ILE CB C 42.740 0.021 1 820 192 125 ILE N N 129.758 0.021 1 821 193 126 THR H H 7.536 0.004 1 822 193 126 THR HA H 5.133 0.001 1 823 193 126 THR HB H 3.898 0.001 1 824 193 126 THR C C 173.170 0.004 1 825 193 126 THR CA C 61.971 0.062 1 826 193 126 THR CB C 69.420 0.010 1 827 193 126 THR N N 124.178 0.014 1 828 194 127 LEU H H 9.048 0.003 1 829 194 127 LEU HA H 4.674 0.002 1 830 194 127 LEU C C 174.781 0.001 1 831 194 127 LEU CA C 52.457 0.002 1 832 194 127 LEU CB C 46.079 0.021 1 833 194 127 LEU N N 125.531 0.033 1 834 195 128 GLU H H 8.536 0.003 1 835 195 128 GLU HA H 4.855 0.001 1 836 195 128 GLU HB2 H 1.752 0.001 2 837 195 128 GLU HB3 H 1.868 0.001 2 838 195 128 GLU C C 175.797 0.001 1 839 195 128 GLU CA C 54.421 0.008 1 840 195 128 GLU CB C 30.316 0.052 1 841 195 128 GLU N N 121.989 0.029 1 842 196 129 ARG H H 8.659 0.003 1 843 196 129 ARG HA H 3.593 0.001 1 844 196 129 ARG HB2 H 1.599 0.001 2 845 196 129 ARG HB3 H 1.735 0.001 2 846 196 129 ARG C C 176.236 0.004 1 847 196 129 ARG CA C 58.136 0.046 1 848 196 129 ARG CB C 31.364 0.010 1 849 196 129 ARG N N 125.615 0.024 1 850 197 130 GLY H H 7.834 0.003 1 851 197 130 GLY C C 175.152 0.001 1 852 197 130 GLY CA C 44.720 0.001 1 853 197 130 GLY N N 111.011 0.025 1 854 201 134 LEU HA H 4.063 0.001 1 855 201 134 LEU C C 177.890 0.001 1 856 201 134 LEU CA C 56.580 0.001 1 857 201 134 LEU CB C 42.160 0.001 1 858 202 135 GLY H H 8.510 0.001 1 859 202 135 GLY HA2 H 4.114 0.001 2 860 202 135 GLY HA3 H 3.814 0.001 2 861 202 135 GLY C C 175.795 0.001 1 862 202 135 GLY CA C 46.817 0.011 1 863 202 135 GLY N N 103.735 0.010 1 864 203 136 PHE H H 7.264 0.003 1 865 203 136 PHE HA H 5.302 0.001 1 866 203 136 PHE HB2 H 3.312 0.001 2 867 203 136 PHE HB3 H 2.903 0.001 2 868 203 136 PHE C C 172.767 0.001 1 869 203 136 PHE CA C 56.444 0.023 1 870 203 136 PHE CB C 41.112 0.041 1 871 203 136 PHE N N 114.901 0.016 1 872 204 137 SER H H 8.588 0.005 1 873 204 137 SER HA H 4.939 0.001 1 874 204 137 SER HB2 H 3.609 0.001 2 875 204 137 SER HB3 H 3.839 0.001 2 876 204 137 SER C C 173.799 0.003 1 877 204 137 SER CA C 56.695 0.019 1 878 204 137 SER CB C 65.399 0.016 1 879 204 137 SER N N 116.460 0.026 1 880 205 138 ILE H H 8.535 0.006 1 881 205 138 ILE HA H 5.722 0.001 1 882 205 138 ILE C C 175.374 0.004 1 883 205 138 ILE CA C 58.697 0.024 1 884 205 138 ILE CB C 43.461 0.043 1 885 205 138 ILE N N 114.013 0.021 1 886 206 139 ALA H H 9.025 0.004 1 887 206 139 ALA HA H 4.607 0.001 1 888 206 139 ALA HB H 1.005 0.001 1 889 206 139 ALA C C 175.395 0.005 1 890 206 139 ALA CA C 51.063 0.042 1 891 206 139 ALA CB C 24.037 0.013 1 892 206 139 ALA N N 122.748 0.031 1 893 207 140 GLY H H 8.603 0.004 1 894 207 140 GLY HA2 H 5.297 0.001 2 895 207 140 GLY HA3 H 4.191 0.001 2 896 207 140 GLY C C 173.828 0.001 1 897 207 140 GLY CA C 44.402 0.004 1 898 207 140 GLY N N 106.530 0.054 1 899 208 141 GLY H H 6.708 0.005 1 900 208 141 GLY HA3 H 4.127 0.001 1 901 208 141 GLY C C 176.365 0.006 1 902 208 141 GLY CA C 43.524 0.029 1 903 208 141 GLY N N 106.659 0.030 1 904 209 142 THR H H 8.864 0.004 1 905 209 142 THR HA H 4.073 0.001 1 906 209 142 THR HB H 3.844 0.001 1 907 209 142 THR C C 175.660 0.019 1 908 209 142 THR CA C 64.172 0.014 1 909 209 142 THR CB C 68.347 0.062 1 910 209 142 THR N N 111.793 0.036 1 911 210 143 ASP H H 9.562 0.002 1 912 210 143 ASP HA H 4.435 0.001 1 913 210 143 ASP HB2 H 2.621 0.001 2 914 210 143 ASP HB3 H 2.759 0.001 2 915 210 143 ASP C C 175.884 0.001 1 916 210 143 ASP CA C 52.834 0.008 1 917 210 143 ASP CB C 39.131 0.003 1 918 210 143 ASP N N 115.728 0.016 1 919 211 144 ASN H H 7.112 0.002 1 920 211 144 ASN HA H 4.812 0.001 1 921 211 144 ASN HB3 H 2.637 0.001 2 922 211 144 ASN C C 181.213 0.001 1 923 211 144 ASN CA C 51.608 0.001 1 924 211 144 ASN CB C 39.011 0.001 1 925 211 144 ASN N N 117.510 0.024 1 926 212 145 PRO CA C 63.835 0.001 1 927 212 145 PRO CB C 31.922 0.001 1 928 213 146 HIS H H 9.909 0.005 1 929 213 146 HIS HA H 4.556 0.001 1 930 213 146 HIS C C 174.561 0.001 1 931 213 146 HIS CA C 56.919 0.001 1 932 213 146 HIS CB C 31.768 0.001 1 933 213 146 HIS N N 123.637 0.019 1 934 214 147 ILE H H 7.058 0.010 1 935 214 147 ILE HA H 4.000 0.001 1 936 214 147 ILE C C 175.287 0.001 1 937 214 147 ILE CA C 59.555 0.063 1 938 214 147 ILE CB C 39.877 0.001 1 939 214 147 ILE N N 115.616 0.049 1 940 215 148 GLY H H 8.455 0.005 1 941 215 148 GLY HA3 H 3.626 0.001 1 942 215 148 GLY C C 173.751 0.005 1 943 215 148 GLY CA C 46.812 0.007 1 944 215 148 GLY N N 113.425 0.027 1 945 216 149 ASP H H 8.327 0.003 1 946 216 149 ASP HA H 4.563 0.002 1 947 216 149 ASP C C 175.651 0.002 1 948 216 149 ASP CA C 53.256 0.078 1 949 216 149 ASP CB C 40.712 0.004 1 950 216 149 ASP N N 122.536 0.018 1 951 217 150 ASP H H 8.115 0.004 1 952 217 150 ASP HA H 4.634 0.001 1 953 217 150 ASP C C 176.597 0.007 1 954 217 150 ASP CA C 53.963 0.004 1 955 217 150 ASP CB C 41.759 0.056 1 956 217 150 ASP N N 120.820 0.016 1 957 218 151 SER H H 8.558 0.004 1 958 218 151 SER HA H 4.232 0.001 1 959 218 151 SER HB2 H 3.724 0.001 2 960 218 151 SER HB3 H 3.953 0.001 2 961 218 151 SER C C 174.621 0.001 1 962 218 151 SER CA C 58.600 0.033 1 963 218 151 SER CB C 63.727 0.023 1 964 218 151 SER N N 121.147 0.016 1 965 219 152 SER H H 8.418 0.002 1 966 219 152 SER HA H 4.125 0.003 1 967 219 152 SER HB3 H 3.341 0.001 2 968 219 152 SER C C 171.857 0.001 1 969 219 152 SER CA C 59.943 0.001 1 970 219 152 SER CB C 63.854 0.001 1 971 219 152 SER N N 117.137 0.023 1 972 220 153 ILE H H 8.746 0.007 1 973 220 153 ILE HA H 4.546 0.001 1 974 220 153 ILE HB H 2.175 0.001 1 975 220 153 ILE C C 175.230 0.003 1 976 220 153 ILE CA C 57.781 0.041 1 977 220 153 ILE CB C 35.159 0.088 1 978 220 153 ILE N N 122.509 0.014 1 979 221 154 PHE H H 8.730 0.005 1 980 221 154 PHE HA H 5.395 0.001 1 981 221 154 PHE HB2 H 2.285 0.001 2 982 221 154 PHE HB3 H 2.666 0.001 2 983 221 154 PHE C C 175.815 0.001 1 984 221 154 PHE CA C 56.189 0.017 1 985 221 154 PHE CB C 43.415 0.032 1 986 221 154 PHE N N 124.301 0.032 1 987 222 155 ILE H H 8.582 0.003 1 988 222 155 ILE HA H 4.498 0.001 1 989 222 155 ILE HB H 2.031 0.001 1 990 222 155 ILE C C 177.743 0.009 1 991 222 155 ILE CA C 60.492 0.009 1 992 222 155 ILE CB C 36.911 0.084 1 993 222 155 ILE N N 119.100 0.038 1 994 223 156 THR H H 8.650 0.003 1 995 223 156 THR HA H 4.485 0.001 1 996 223 156 THR HB H 4.086 0.001 1 997 223 156 THR C C 175.133 0.013 1 998 223 156 THR CA C 61.638 0.068 1 999 223 156 THR CB C 69.383 0.017 1 1000 223 156 THR N N 118.174 0.016 1 1001 224 157 LYS H H 7.068 0.003 1 1002 224 157 LYS HA H 4.276 0.001 1 1003 224 157 LYS HB2 H 1.563 0.001 2 1004 224 157 LYS HB3 H 1.728 0.001 2 1005 224 157 LYS C C 173.906 0.003 1 1006 224 157 LYS CA C 56.616 0.001 1 1007 224 157 LYS CB C 36.135 0.013 1 1008 224 157 LYS N N 120.768 0.018 1 1009 225 158 ILE H H 8.761 0.004 1 1010 225 158 ILE HA H 4.338 0.001 1 1011 225 158 ILE HB H 1.700 0.001 1 1012 225 158 ILE C C 175.450 0.009 1 1013 225 158 ILE CA C 60.074 0.027 1 1014 225 158 ILE CB C 38.373 0.043 1 1015 225 158 ILE N N 126.010 0.017 1 1016 226 159 ILE H H 7.874 0.003 1 1017 226 159 ILE HA H 4.048 0.001 1 1018 226 159 ILE C C 176.816 0.001 1 1019 226 159 ILE CA C 60.386 0.078 1 1020 226 159 ILE CB C 38.211 0.119 1 1021 226 159 ILE N N 127.404 0.021 1 1022 227 160 THR H H 8.926 0.007 1 1023 227 160 THR HA H 3.956 0.001 1 1024 227 160 THR HB H 3.731 0.001 1 1025 227 160 THR C C 175.242 0.015 1 1026 227 160 THR CA C 65.286 0.048 1 1027 227 160 THR CB C 68.654 0.043 1 1028 227 160 THR N N 127.317 0.029 1 1029 228 161 GLY H H 8.848 0.005 1 1030 228 161 GLY HA2 H 3.645 0.001 2 1031 228 161 GLY HA3 H 4.147 0.001 2 1032 228 161 GLY C C 174.619 0.004 1 1033 228 161 GLY CA C 45.284 0.022 1 1034 228 161 GLY N N 114.997 0.019 1 1035 229 162 GLY H H 7.506 0.003 1 1036 229 162 GLY HA2 H 3.766 0.001 2 1037 229 162 GLY HA3 H 4.200 0.001 2 1038 229 162 GLY C C 173.740 0.004 1 1039 229 162 GLY CA C 44.629 0.007 1 1040 229 162 GLY N N 106.254 0.020 1 1041 230 163 ALA H H 8.465 0.003 1 1042 230 163 ALA HA H 4.023 0.001 1 1043 230 163 ALA HB H 1.488 0.001 1 1044 230 163 ALA C C 181.022 0.003 1 1045 230 163 ALA CA C 55.542 0.033 1 1046 230 163 ALA CB C 18.664 0.013 1 1047 230 163 ALA N N 119.735 0.008 1 1048 231 164 ALA H H 8.024 0.002 1 1049 231 164 ALA HA H 4.180 0.001 1 1050 231 164 ALA HB H 1.486 0.001 1 1051 231 164 ALA C C 181.253 0.005 1 1052 231 164 ALA CA C 54.771 0.020 1 1053 231 164 ALA CB C 18.913 0.013 1 1054 231 164 ALA N N 118.835 0.018 1 1055 232 165 ALA H H 9.602 0.004 1 1056 232 165 ALA HA H 3.926 0.001 1 1057 232 165 ALA HB H 1.441 0.001 1 1058 232 165 ALA C C 179.473 0.001 1 1059 232 165 ALA CA C 54.952 0.001 1 1060 232 165 ALA CB C 18.642 0.001 1 1061 232 165 ALA N N 126.940 0.029 1 1062 233 166 GLN H H 8.199 0.003 1 1063 233 166 GLN HA H 3.898 0.001 1 1064 233 166 GLN HB3 H 2.008 0.001 2 1065 233 166 GLN C C 177.867 0.002 1 1066 233 166 GLN CA C 58.591 0.035 1 1067 233 166 GLN CB C 28.834 0.019 1 1068 233 166 GLN N N 116.893 0.017 1 1069 234 167 ASP H H 7.629 0.003 1 1070 234 167 ASP HA H 4.366 0.001 1 1071 234 167 ASP C C 177.665 0.004 1 1072 234 167 ASP CA C 56.978 0.041 1 1073 234 167 ASP CB C 43.842 0.021 1 1074 234 167 ASP N N 118.033 0.013 1 1075 235 168 GLY H H 7.476 0.003 1 1076 235 168 GLY HA2 H 4.000 0.001 2 1077 235 168 GLY HA3 H 3.763 0.001 2 1078 235 168 GLY C C 174.561 0.003 1 1079 235 168 GLY CA C 46.393 0.023 1 1080 235 168 GLY N N 102.876 0.011 1 1081 236 169 ARG H H 7.666 0.003 1 1082 236 169 ARG HA H 4.164 0.001 1 1083 236 169 ARG C C 176.864 0.001 1 1084 236 169 ARG CA C 58.464 0.037 1 1085 236 169 ARG CB C 33.320 0.027 1 1086 236 169 ARG N N 119.754 0.016 1 1087 237 170 LEU H H 9.042 0.003 1 1088 237 170 LEU HA H 3.809 0.001 1 1089 237 170 LEU C C 176.092 0.008 1 1090 237 170 LEU CA C 55.130 0.004 1 1091 237 170 LEU CB C 43.347 0.097 1 1092 237 170 LEU N N 120.242 0.039 1 1093 238 171 ARG H H 8.623 0.003 1 1094 238 171 ARG HA H 4.430 0.001 1 1095 238 171 ARG C C 176.020 0.004 1 1096 238 171 ARG CA C 53.434 0.001 1 1097 238 171 ARG CB C 33.100 0.011 1 1098 238 171 ARG N N 122.168 0.020 1 1099 239 172 VAL H H 8.274 0.003 1 1100 239 172 VAL HA H 3.177 0.001 1 1101 239 172 VAL C C 177.971 0.001 1 1102 239 172 VAL CA C 65.580 0.040 1 1103 239 172 VAL CB C 31.078 0.001 1 1104 239 172 VAL N N 120.673 0.038 1 1105 240 173 ASN H H 9.379 0.004 1 1106 240 173 ASN HA H 4.321 0.001 1 1107 240 173 ASN HB3 H 3.033 0.001 2 1108 240 173 ASN C C 174.337 0.002 1 1109 240 173 ASN CB C 36.920 0.009 1 1110 240 173 ASN N N 120.698 0.021 1 1111 241 174 ASP H H 8.007 0.002 1 1112 241 174 ASP HA H 4.479 0.001 1 1113 241 174 ASP HB3 H 2.691 0.001 2 1114 241 174 ASP C C 175.287 0.001 1 1115 241 174 ASP CA C 56.481 0.030 1 1116 241 174 ASP CB C 40.698 0.014 1 1117 241 174 ASP N N 122.100 0.019 1 1118 242 175 CYS H H 8.624 0.005 1 1119 242 175 CYS HA H 5.099 0.001 1 1120 242 175 CYS HB2 H 2.462 0.001 2 1121 242 175 CYS HB3 H 2.513 0.001 2 1122 242 175 CYS C C 175.231 0.005 1 1123 242 175 CYS CA C 56.213 0.034 1 1124 242 175 CYS CB C 28.202 0.005 1 1125 242 175 CYS N N 119.747 0.021 1 1126 243 176 ILE H H 8.459 0.002 1 1127 243 176 ILE HA H 3.861 0.002 1 1128 243 176 ILE HB H 1.391 0.001 1 1129 243 176 ILE C C 173.852 0.001 1 1130 243 176 ILE CA C 61.745 0.083 1 1131 243 176 ILE CB C 38.762 0.044 1 1132 243 176 ILE N N 125.122 0.018 1 1133 244 177 LEU H H 9.175 0.003 1 1134 244 177 LEU HA H 4.269 0.001 1 1135 244 177 LEU C C 177.605 0.001 1 1136 244 177 LEU CA C 55.672 0.001 1 1137 244 177 LEU CB C 43.151 0.001 1 1138 244 177 LEU N N 125.658 0.035 1 1139 245 178 ARG H H 7.584 0.004 1 1140 245 178 ARG C C 173.996 0.001 1 1141 245 178 ARG CA C 55.081 0.001 1 1142 245 178 ARG CB C 35.238 0.001 1 1143 245 178 ARG N N 117.931 0.022 1 1144 246 179 VAL H H 8.520 0.002 1 1145 246 179 VAL N N 123.437 0.033 1 1146 248 181 GLU C C 175.568 0.001 1 1147 248 181 GLU CA C 56.641 0.001 1 1148 248 181 GLU CB C 29.089 0.001 1 1149 249 182 ALA H H 8.568 0.004 1 1150 249 182 ALA HA H 4.336 0.001 1 1151 249 182 ALA HB H 1.312 0.005 1 1152 249 182 ALA C C 175.546 0.004 1 1153 249 182 ALA CA C 51.668 0.048 1 1154 249 182 ALA CB C 18.797 0.041 1 1155 249 182 ALA N N 125.569 0.034 1 1156 250 183 ASP H H 8.500 0.004 1 1157 250 183 ASP HA H 4.514 0.001 1 1158 250 183 ASP HB2 H 2.560 0.001 2 1159 250 183 ASP HB3 H 2.832 0.001 2 1160 250 183 ASP C C 177.716 0.006 1 1161 250 183 ASP CA C 54.482 0.019 1 1162 250 183 ASP CB C 41.634 0.031 1 1163 250 183 ASP N N 125.033 0.022 1 1164 251 184 VAL H H 8.047 0.003 1 1165 251 184 VAL HA H 4.603 0.001 1 1166 251 184 VAL HB H 2.342 0.001 1 1167 251 184 VAL C C 175.069 0.009 1 1168 251 184 VAL CA C 59.388 0.001 1 1169 251 184 VAL CB C 30.320 0.001 1 1170 251 184 VAL N N 118.776 0.026 1 1171 252 185 ARG H H 8.014 0.002 1 1172 252 185 ARG C C 176.025 0.001 1 1173 252 185 ARG N N 122.050 0.019 1 1174 253 186 ASP H H 8.449 0.002 1 1175 253 186 ASP HA H 4.352 0.001 1 1176 253 186 ASP HB2 H 2.585 0.001 2 1177 253 186 ASP HB3 H 2.313 0.001 2 1178 253 186 ASP C C 174.924 0.003 1 1179 253 186 ASP CA C 54.193 0.012 1 1180 253 186 ASP CB C 40.471 0.046 1 1181 253 186 ASP N N 121.823 0.017 1 1182 254 187 VAL H H 8.489 0.007 1 1183 254 187 VAL HA H 4.866 0.002 1 1184 254 187 VAL HB H 2.188 0.001 1 1185 254 187 VAL C C 176.015 0.001 1 1186 254 187 VAL CA C 58.621 0.017 1 1187 254 187 VAL CB C 35.592 0.025 1 1188 254 187 VAL N N 112.675 0.022 1 1189 255 188 THR H H 7.567 0.005 1 1190 255 188 THR HA H 4.573 0.001 1 1191 255 188 THR HB H 4.360 0.001 1 1192 255 188 THR C C 175.452 0.002 1 1193 255 188 THR CA C 61.052 0.058 1 1194 255 188 THR CB C 70.730 0.019 1 1195 255 188 THR N N 109.839 0.032 1 1196 256 189 HIS H H 10.281 0.005 1 1197 256 189 HIS HA H 3.940 0.001 1 1198 256 189 HIS HB2 H 3.592 0.001 2 1199 256 189 HIS HB3 H 3.246 0.001 2 1200 256 189 HIS C C 177.877 0.004 1 1201 256 189 HIS CA C 61.635 0.055 1 1202 256 189 HIS CB C 28.937 0.027 1 1203 256 189 HIS N N 122.716 0.024 1 1204 257 190 SER H H 9.226 0.006 1 1205 257 190 SER HA H 3.965 0.001 1 1206 257 190 SER HB3 H 3.829 0.001 2 1207 257 190 SER C C 177.146 0.001 1 1208 257 190 SER CA C 61.323 0.001 1 1209 257 190 SER CB C 62.406 0.001 1 1210 257 190 SER N N 110.933 0.029 1 1211 258 191 LYS H H 7.560 0.002 1 1212 258 191 LYS HA H 4.035 0.001 1 1213 258 191 LYS HB2 H 1.895 0.001 2 1214 258 191 LYS HB3 H 1.785 0.001 2 1215 258 191 LYS C C 179.006 0.001 1 1216 258 191 LYS CA C 58.245 0.073 1 1217 258 191 LYS CB C 31.563 0.010 1 1218 258 191 LYS N N 123.250 0.009 1 1219 259 192 ALA H H 7.773 0.002 1 1220 259 192 ALA HA H 3.832 0.008 1 1221 259 192 ALA HB H 1.198 0.001 1 1222 259 192 ALA C C 178.427 0.001 1 1223 259 192 ALA CA C 55.489 0.001 1 1224 259 192 ALA CB C 18.148 0.003 1 1225 259 192 ALA N N 123.775 0.023 1 1226 260 193 VAL H H 7.960 0.004 1 1227 260 193 VAL HA H 3.262 0.001 1 1228 260 193 VAL HB H 2.994 0.001 1 1229 260 193 VAL C C 179.570 0.001 1 1230 260 193 VAL CA C 66.932 0.001 1 1231 260 193 VAL CB C 31.845 0.001 1 1232 260 193 VAL N N 117.407 0.029 1 1233 261 194 GLU HA H 3.866 0.001 1 1234 261 194 GLU C C 177.676 0.001 1 1235 261 194 GLU CA C 59.326 0.040 1 1236 261 194 GLU CB C 29.754 0.011 1 1237 262 195 ALA H H 8.073 0.004 1 1238 262 195 ALA HA H 3.947 0.001 1 1239 262 195 ALA HB H 1.266 0.001 1 1240 262 195 ALA C C 180.905 0.003 1 1241 262 195 ALA CA C 54.839 0.018 1 1242 262 195 ALA CB C 16.939 0.001 1 1243 262 195 ALA N N 121.215 0.023 1 1244 263 196 LEU H H 7.574 0.003 1 1245 263 196 LEU HA H 3.822 0.001 1 1246 263 196 LEU HB3 H 1.250 0.001 2 1247 263 196 LEU C C 178.489 0.002 1 1248 263 196 LEU CA C 57.949 0.001 1 1249 263 196 LEU CB C 41.767 0.001 1 1250 263 196 LEU N N 115.973 0.013 1 1251 264 197 LYS H H 8.036 0.001 1 1252 264 197 LYS HA H 3.939 0.001 1 1253 264 197 LYS HB3 H 1.875 0.001 2 1254 264 197 LYS C C 179.089 0.003 1 1255 264 197 LYS CA C 59.472 0.001 1 1256 264 197 LYS CB C 32.900 0.001 1 1257 264 197 LYS N N 121.432 0.032 1 1258 265 198 GLU H H 8.218 0.002 1 1259 265 198 GLU HA H 4.194 0.001 1 1260 265 198 GLU HB2 H 2.161 0.001 2 1261 265 198 GLU HB3 H 1.803 0.001 2 1262 265 198 GLU C C 176.907 0.001 1 1263 265 198 GLU CA C 56.378 0.002 1 1264 265 198 GLU CB C 29.217 0.026 1 1265 265 198 GLU N N 115.992 0.044 1 1266 266 199 ALA H H 6.874 0.004 1 1267 266 199 ALA HA H 4.115 0.001 1 1268 266 199 ALA HB H 1.426 0.001 1 1269 266 199 ALA C C 176.486 0.001 1 1270 266 199 ALA CA C 53.461 0.028 1 1271 266 199 ALA CB C 20.300 0.005 1 1272 266 199 ALA N N 119.975 0.014 1 1273 267 200 GLY H H 7.756 0.005 1 1274 267 200 GLY HA2 H 3.651 0.001 2 1275 267 200 GLY HA3 H 4.182 0.001 2 1276 267 200 GLY C C 175.156 0.001 1 1277 267 200 GLY CA C 44.412 0.006 1 1278 267 200 GLY N N 103.395 0.029 1 1279 268 201 SER H H 8.541 0.003 1 1280 268 201 SER HA H 4.131 0.001 1 1281 268 201 SER HB3 H 3.892 0.001 2 1282 268 201 SER C C 173.618 0.001 1 1283 268 201 SER CA C 61.300 0.015 1 1284 268 201 SER CB C 63.562 0.011 1 1285 268 201 SER N N 115.631 0.026 1 1286 269 202 ILE H H 7.559 0.002 1 1287 269 202 ILE HA H 4.590 0.001 1 1288 269 202 ILE HB H 1.709 0.001 1 1289 269 202 ILE C C 174.889 0.001 1 1290 269 202 ILE CA C 60.151 0.039 1 1291 269 202 ILE CB C 38.334 0.054 1 1292 269 202 ILE N N 120.916 0.025 1 1293 270 203 VAL H H 9.064 0.004 1 1294 270 203 VAL HA H 4.295 0.001 1 1295 270 203 VAL HB H 1.870 0.001 1 1296 270 203 VAL C C 173.650 0.003 1 1297 270 203 VAL CA C 61.579 0.064 1 1298 270 203 VAL CB C 33.806 0.050 1 1299 270 203 VAL N N 127.971 0.022 1 1300 271 204 ARG H H 9.032 0.003 1 1301 271 204 ARG HA H 4.813 0.001 1 1302 271 204 ARG HB3 H 1.710 0.001 2 1303 271 204 ARG C C 175.513 0.004 1 1304 271 204 ARG CA C 54.905 0.015 1 1305 271 204 ARG CB C 30.949 0.066 1 1306 271 204 ARG N N 127.567 0.020 1 1307 272 205 LEU H H 9.428 0.003 1 1308 272 205 LEU HA H 5.056 0.001 1 1309 272 205 LEU C C 174.798 0.004 1 1310 272 205 LEU CA C 53.107 0.021 1 1311 272 205 LEU CB C 44.382 0.061 1 1312 272 205 LEU N N 126.819 0.024 1 1313 273 206 TYR H H 8.311 0.003 1 1314 273 206 TYR HA H 5.316 0.001 1 1315 273 206 TYR HB3 H 2.905 0.001 2 1316 273 206 TYR C C 175.117 0.007 1 1317 273 206 TYR CA C 56.400 0.034 1 1318 273 206 TYR CB C 40.230 0.059 1 1319 273 206 TYR N N 125.284 0.029 1 1320 274 207 VAL H H 8.777 0.004 1 1321 274 207 VAL HA H 5.394 0.001 1 1322 274 207 VAL C C 173.251 0.001 1 1323 274 207 VAL CA C 58.325 0.031 1 1324 274 207 VAL CB C 35.545 0.028 1 1325 274 207 VAL N N 121.309 0.019 1 1326 275 208 LYS H H 8.597 0.003 1 1327 275 208 LYS HA H 5.039 0.001 1 1328 275 208 LYS HB3 H 1.093 0.001 2 1329 275 208 LYS C C 174.285 0.001 1 1330 275 208 LYS CA C 53.393 0.038 1 1331 275 208 LYS CB C 37.369 0.077 1 1332 275 208 LYS N N 117.992 0.008 1 1333 276 209 ARG H H 8.879 0.004 1 1334 276 209 ARG HA H 4.974 0.001 1 1335 276 209 ARG C C 174.393 0.011 1 1336 276 209 ARG CA C 53.963 0.014 1 1337 276 209 ARG CB C 34.274 0.019 1 1338 276 209 ARG N N 120.816 0.026 1 1339 277 210 ARG H H 8.505 0.003 1 1340 277 210 ARG HA H 3.914 0.001 1 1341 277 210 ARG HB2 H 1.527 0.001 2 1342 277 210 ARG HB3 H 1.704 0.001 2 1343 277 210 ARG C C 176.141 0.001 1 1344 277 210 ARG CA C 56.464 0.001 1 1345 277 210 ARG CB C 30.183 0.001 1 1346 277 210 ARG N N 123.236 0.027 1 1347 278 211 LYS H H 7.841 0.003 1 1348 278 211 LYS HA H 3.821 0.001 1 1349 278 211 LYS HB2 H 1.360 0.001 2 1350 278 211 LYS HB3 H 1.557 0.001 2 1351 278 211 LYS C C 181.381 0.001 1 1352 278 211 LYS CA C 58.548 0.001 1 1353 278 211 LYS CB C 33.473 0.001 1 1354 278 211 LYS N N 129.549 0.026 1 stop_ save_