data_25556 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the MRG15-MRGBP complex ; _BMRB_accession_number 25556 _BMRB_flat_file_name bmr25556.str _Entry_type original _Submission_date 2015-03-27 _Accession_date 2015-03-27 _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 Xie Tao . . 2 Zmysloski Adam M. . 3 Zhang Yongbo . . 4 Radhakrishnan Ishwar . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1210 "13C chemical shifts" 925 "15N chemical shifts" 217 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-01-20 update BMRB 'update entry citation' 2015-05-26 original author 'original release' stop_ _Original_release_date 2015-05-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis for Multi-specificity of MRG Domains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25960410 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xie Tao . . 2 Zmysloski Adam M. . 3 Zhang Yongbo . . 4 Radhakrishnan Ishwar . . stop_ _Journal_abbreviation Structure _Journal_volume 23 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1049 _Page_last 1057 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MRG15-MRGBP complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MRGBP $entity_1 MRG15 $entity_2 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 6284.132 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 54 _Mol_residue_sequence ; SNAGRQVPSKVIWDHLSTMY DMQALHESEILPFPNPERNF VLPEEIIQEVREGK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 66 SER 2 67 ASN 3 68 ALA 4 69 GLY 5 70 ARG 6 71 GLN 7 72 VAL 8 73 PRO 9 74 SER 10 75 LYS 11 76 VAL 12 77 ILE 13 78 TRP 14 79 ASP 15 80 HIS 16 81 LEU 17 82 SER 18 83 THR 19 84 MET 20 85 TYR 21 86 ASP 22 87 MET 23 88 GLN 24 89 ALA 25 90 LEU 26 91 HIS 27 92 GLU 28 93 SER 29 94 GLU 30 95 ILE 31 96 LEU 32 97 PRO 33 98 PHE 34 99 PRO 35 100 ASN 36 101 PRO 37 102 GLU 38 103 ARG 39 104 ASN 40 105 PHE 41 106 VAL 42 107 LEU 43 108 PRO 44 109 GLU 45 110 GLU 46 111 ILE 47 112 ILE 48 113 GLN 49 114 GLU 50 115 VAL 51 116 ARG 52 117 GLU 53 118 GLY 54 119 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 19842.887 _Mol_thiol_state 'not present' _Details . _Residue_count 172 _Mol_residue_sequence ; SNAEVKVKIPEELKPWLVDD WDLITRQKQLFYLPAKKNVD SILEDYANYKKSRGNTDNKE YAVNEVVAGIKEYFNVMLGT QLLYKFERPQYAEILADHPD APMSQVYGAPHLLRLFVRIG AMLAYTPLDEKSLALLLNYL HDFLKYLAKNSATLFSASDY EVAPPEYHRKAV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 152 SER 2 153 ASN 3 154 ALA 4 155 GLU 5 156 VAL 6 157 LYS 7 158 VAL 8 159 LYS 9 160 ILE 10 161 PRO 11 162 GLU 12 163 GLU 13 164 LEU 14 165 LYS 15 166 PRO 16 167 TRP 17 168 LEU 18 169 VAL 19 170 ASP 20 171 ASP 21 172 TRP 22 173 ASP 23 174 LEU 24 175 ILE 25 176 THR 26 177 ARG 27 178 GLN 28 179 LYS 29 180 GLN 30 181 LEU 31 182 PHE 32 183 TYR 33 184 LEU 34 185 PRO 35 186 ALA 36 187 LYS 37 188 LYS 38 189 ASN 39 190 VAL 40 191 ASP 41 192 SER 42 193 ILE 43 194 LEU 44 195 GLU 45 196 ASP 46 197 TYR 47 198 ALA 48 199 ASN 49 200 TYR 50 201 LYS 51 202 LYS 52 203 SER 53 204 ARG 54 205 GLY 55 206 ASN 56 207 THR 57 208 ASP 58 209 ASN 59 210 LYS 60 211 GLU 61 212 TYR 62 213 ALA 63 214 VAL 64 215 ASN 65 216 GLU 66 217 VAL 67 218 VAL 68 219 ALA 69 220 GLY 70 221 ILE 71 222 LYS 72 223 GLU 73 224 TYR 74 225 PHE 75 226 ASN 76 227 VAL 77 228 MET 78 229 LEU 79 230 GLY 80 231 THR 81 232 GLN 82 233 LEU 83 234 LEU 84 235 TYR 85 236 LYS 86 237 PHE 87 238 GLU 88 239 ARG 89 240 PRO 90 241 GLN 91 242 TYR 92 243 ALA 93 244 GLU 94 245 ILE 95 246 LEU 96 247 ALA 97 248 ASP 98 249 HIS 99 250 PRO 100 251 ASP 101 252 ALA 102 253 PRO 103 254 MET 104 255 SER 105 256 GLN 106 257 VAL 107 258 TYR 108 259 GLY 109 260 ALA 110 261 PRO 111 262 HIS 112 263 LEU 113 264 LEU 114 265 ARG 115 266 LEU 116 267 PHE 117 268 VAL 118 269 ARG 119 270 ILE 120 271 GLY 121 272 ALA 122 273 MET 123 274 LEU 124 275 ALA 125 276 TYR 126 277 THR 127 278 PRO 128 279 LEU 129 280 ASP 130 281 GLU 131 282 LYS 132 283 SER 133 284 LEU 134 285 ALA 135 286 LEU 136 287 LEU 137 288 LEU 138 289 ASN 139 290 TYR 140 291 LEU 141 292 HIS 142 293 ASP 143 294 PHE 144 295 LEU 145 296 LYS 146 297 TYR 147 298 LEU 148 299 ALA 149 300 LYS 150 301 ASN 151 302 SER 152 303 ALA 153 304 THR 154 305 LEU 155 306 PHE 156 307 SER 157 308 ALA 158 309 SER 159 310 ASP 160 311 TYR 161 312 GLU 162 313 VAL 163 314 ALA 164 315 PRO 165 316 PRO 166 317 GLU 167 318 TYR 168 319 HIS 169 320 ARG 170 321 LYS 171 322 ALA 172 323 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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 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 $entity_1 'recombinant technology' . Escherichia coli . pMCSG7 $entity_2 'recombinant technology' . Escherichia coli . pMCSG7 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 $entity_1 0.8 mM '[U-100% 13C; U-100% 15N]' $entity_2 0.8 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' dithiothreitol-d10 3 mM 'natural abundance' NaN3 0.2 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.8 mM '[U-100% 13C; U-100% 15N]' $entity_2 0.8 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' dithiothreitol-d10 3 mM 'natural abundance' NaN3 0.2 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.9 mM 'natural abundance' $entity_2 0.9 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' dithiothreitol-d10 3 mM 'natural abundance' NaN3 0.2 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.9 mM 'natural abundance' $entity_2 0.9 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' dithiothreitol-d10 3 mM 'natural abundance' NaN3 0.2 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_double_half-filtered_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D double half-filtered 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_15N,13C-filtered,_15N,13C-edited_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N,13C-filtered, 15N,13C-edited 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ save_2D_double_half-filtered_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D double half-filtered 1H-1H NOESY' _Sample_label $sample_4 save_ save_3D_15N,13C-filtered,_15N,13C-edited_1H-1H_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N,13C-filtered, 15N,13C-edited 1H-1H NOESY' _Sample_label $sample_4 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' 0.05 . M pH 6.9 . pH pressure 1 . atm temperature 273 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D double half-filtered 1H-1H NOESY' '3D 15N,13C-filtered, 15N,13C-edited 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MRGBP _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 66 1 SER HA H 4.11 0.03 1 2 66 1 SER HB2 H 3.92 0.03 2 3 66 1 SER HB3 H 3.72 0.03 2 4 66 1 SER CA C 59.73 0.20 1 5 66 1 SER CB C 64.96 0.20 1 6 67 2 ASN HA H 4.72 0.03 1 7 67 2 ASN HB2 H 2.73 0.03 2 8 67 2 ASN HB3 H 2.81 0.03 2 9 67 2 ASN HD21 H 6.87 0.03 2 10 67 2 ASN HD22 H 7.56 0.03 2 11 67 2 ASN C C 174.90 0.20 1 12 67 2 ASN CA C 53.30 0.20 1 13 67 2 ASN CB C 39.01 0.20 1 14 67 2 ASN ND2 N 112.98 0.30 1 15 68 3 ALA HA H 4.26 0.03 1 16 68 3 ALA HB H 1.34 0.03 1 17 68 3 ALA C C 178.06 0.20 1 18 68 3 ALA CA C 52.93 0.20 1 19 68 3 ALA CB C 19.18 0.20 1 20 69 4 GLY H H 8.28 0.03 1 21 69 4 GLY HA3 H 3.89 0.03 2 22 69 4 GLY C C 174.05 0.20 1 23 69 4 GLY CA C 45.42 0.20 1 24 69 4 GLY N N 107.81 0.30 1 25 70 5 ARG H H 8.01 0.03 1 26 70 5 ARG HA H 4.30 0.03 1 27 70 5 ARG HB2 H 1.70 0.03 2 28 70 5 ARG HB3 H 1.80 0.03 2 29 70 5 ARG HG3 H 1.56 0.03 2 30 70 5 ARG HD3 H 3.13 0.03 2 31 70 5 ARG C C 176.09 0.20 1 32 70 5 ARG CA C 55.98 0.20 1 33 70 5 ARG CB C 30.98 0.20 1 34 70 5 ARG CG C 27.15 0.20 1 35 70 5 ARG CD C 43.35 0.20 1 36 70 5 ARG N N 120.29 0.30 1 37 71 6 GLN H H 8.38 0.03 1 38 71 6 GLN HA H 4.33 0.03 1 39 71 6 GLN HB2 H 1.92 0.03 2 40 71 6 GLN HB3 H 2.01 0.03 2 41 71 6 GLN HG3 H 2.29 0.03 2 42 71 6 GLN HE21 H 6.76 0.03 2 43 71 6 GLN HE22 H 7.42 0.03 2 44 71 6 GLN C C 175.54 0.20 1 45 71 6 GLN CA C 55.70 0.20 1 46 71 6 GLN CB C 29.71 0.20 1 47 71 6 GLN CG C 33.91 0.20 1 48 71 6 GLN N N 121.91 0.30 1 49 71 6 GLN NE2 N 112.20 0.30 1 50 72 7 VAL H H 8.10 0.03 1 51 72 7 VAL HA H 4.37 0.03 1 52 72 7 VAL HB H 2.03 0.03 1 53 72 7 VAL HG1 H 0.91 0.03 2 54 72 7 VAL HG2 H 0.86 0.03 2 55 72 7 VAL C C 174.41 0.20 1 56 72 7 VAL CA C 59.70 0.20 1 57 72 7 VAL CB C 32.70 0.20 1 58 72 7 VAL CG1 C 21.29 0.20 2 59 72 7 VAL CG2 C 20.01 0.20 2 60 72 7 VAL N N 122.23 0.30 1 61 73 8 PRO HA H 4.36 0.03 1 62 73 8 PRO HB2 H 1.84 0.03 2 63 73 8 PRO HB3 H 2.20 0.03 2 64 73 8 PRO HG2 H 1.86 0.03 2 65 73 8 PRO HG3 H 1.93 0.03 2 66 73 8 PRO HD2 H 3.60 0.03 2 67 73 8 PRO HD3 H 3.77 0.03 2 68 73 8 PRO C C 176.72 0.20 1 69 73 8 PRO CA C 63.39 0.20 1 70 73 8 PRO CB C 32.18 0.20 1 71 73 8 PRO CG C 27.46 0.20 1 72 73 8 PRO CD C 50.97 0.20 1 73 74 9 SER H H 8.28 0.03 1 74 74 9 SER HA H 4.29 0.03 1 75 74 9 SER HB3 H 3.79 0.03 2 76 74 9 SER C C 174.57 0.20 1 77 74 9 SER CA C 58.80 0.20 1 78 74 9 SER CB C 63.85 0.20 1 79 74 9 SER N N 115.59 0.30 1 80 75 10 LYS H H 8.16 0.03 1 81 75 10 LYS HA H 4.28 0.03 1 82 75 10 LYS HB2 H 1.69 0.03 2 83 75 10 LYS HB3 H 1.77 0.03 2 84 75 10 LYS HG3 H 1.34 0.03 2 85 75 10 LYS HD3 H 1.59 0.03 2 86 75 10 LYS HE3 H 2.90 0.03 2 87 75 10 LYS C C 176.26 0.20 1 88 75 10 LYS CA C 56.72 0.20 1 89 75 10 LYS CB C 33.27 0.20 1 90 75 10 LYS CG C 24.82 0.20 1 91 75 10 LYS CD C 29.03 0.20 1 92 75 10 LYS CE C 41.92 0.20 1 93 75 10 LYS N N 122.79 0.30 1 94 76 11 VAL H H 8.05 0.03 1 95 76 11 VAL HA H 3.99 0.03 1 96 76 11 VAL HB H 1.95 0.03 1 97 76 11 VAL HG1 H 0.83 0.03 2 98 76 11 VAL HG2 H 0.73 0.03 2 99 76 11 VAL CA C 62.88 0.20 1 100 76 11 VAL CB C 32.61 0.20 1 101 76 11 VAL CG1 C 21.20 0.20 2 102 76 11 VAL CG2 C 21.18 0.20 2 103 76 11 VAL N N 120.20 0.30 1 104 77 12 ILE HA H 3.90 0.03 1 105 77 12 ILE HB H 1.62 0.03 1 106 77 12 ILE HG12 H 1.24 0.03 2 107 77 12 ILE HG13 H 0.94 0.03 2 108 77 12 ILE HG2 H 0.50 0.03 1 109 77 12 ILE HD1 H 0.60 0.03 1 110 77 12 ILE CA C 62.37 0.20 1 111 77 12 ILE CB C 38.29 0.20 1 112 77 12 ILE CG1 C 27.78 0.20 1 113 77 12 ILE CG2 C 17.48 0.20 1 114 77 12 ILE CD1 C 13.05 0.20 1 115 78 13 TRP HA H 4.60 0.03 1 116 78 13 TRP HB2 H 3.14 0.03 2 117 78 13 TRP HB3 H 3.28 0.03 2 118 78 13 TRP HD1 H 7.15 0.03 1 119 78 13 TRP HE1 H 9.82 0.03 1 120 78 13 TRP HE3 H 7.48 0.03 1 121 78 13 TRP HZ2 H 7.21 0.03 1 122 78 13 TRP HZ3 H 6.89 0.03 1 123 78 13 TRP HH2 H 6.90 0.03 1 124 78 13 TRP CA C 57.38 0.20 1 125 78 13 TRP CB C 29.68 0.20 1 126 78 13 TRP CD1 C 127.00 0.20 1 127 78 13 TRP CE3 C 121.30 0.20 1 128 78 13 TRP CZ2 C 114.33 0.20 1 129 78 13 TRP CZ3 C 121.49 0.20 1 130 78 13 TRP CH2 C 124.00 0.20 1 131 78 13 TRP NE1 N 128.14 0.30 1 132 79 14 ASP HA H 4.43 0.03 1 133 79 14 ASP HB3 H 2.58 0.03 2 134 79 14 ASP CA C 55.60 0.20 1 135 79 14 ASP CB C 40.93 0.20 1 136 80 15 HIS HA H 4.45 0.03 1 137 80 15 HIS HB3 H 3.06 0.03 2 138 80 15 HIS HD2 H 6.90 0.03 1 139 80 15 HIS CA C 57.41 0.20 1 140 80 15 HIS CB C 30.10 0.20 1 141 80 15 HIS CD2 C 120.09 0.20 1 142 81 16 LEU H H 8.06 0.03 1 143 81 16 LEU HA H 4.15 0.03 1 144 81 16 LEU HB2 H 1.48 0.03 2 145 81 16 LEU HB3 H 1.66 0.03 2 146 81 16 LEU HG H 1.29 0.03 1 147 81 16 LEU HD1 H 0.72 0.03 2 148 81 16 LEU HD2 H 0.70 0.03 2 149 81 16 LEU C C 177.72 0.20 1 150 81 16 LEU CA C 56.45 0.20 1 151 81 16 LEU CB C 42.02 0.20 1 152 81 16 LEU CD1 C 25.42 0.20 2 153 81 16 LEU CD2 C 23.65 0.20 2 154 81 16 LEU N N 120.80 0.30 1 155 82 17 SER H H 8.13 0.03 1 156 82 17 SER HA H 4.28 0.03 1 157 82 17 SER HB2 H 3.77 0.03 2 158 82 17 SER HB3 H 3.88 0.03 2 159 82 17 SER C C 175.27 0.20 1 160 82 17 SER CA C 59.77 0.20 1 161 82 17 SER CB C 63.51 0.20 1 162 82 17 SER N N 114.20 0.30 1 163 83 18 THR H H 7.85 0.03 1 164 83 18 THR HA H 4.27 0.03 1 165 83 18 THR HB H 4.22 0.03 1 166 83 18 THR HG2 H 1.15 0.03 1 167 83 18 THR C C 175.08 0.20 1 168 83 18 THR CA C 62.80 0.20 1 169 83 18 THR CB C 69.59 0.20 1 170 83 18 THR CG2 C 21.79 0.20 1 171 83 18 THR N N 114.09 0.30 1 172 84 19 MET H H 7.95 0.03 1 173 84 19 MET HA H 4.25 0.03 1 174 84 19 MET HB3 H 1.85 0.03 2 175 84 19 MET HG3 H 2.31 0.03 2 176 84 19 MET HE H 1.88 0.03 1 177 84 19 MET C C 175.99 0.20 1 178 84 19 MET CA C 56.70 0.20 1 179 84 19 MET CB C 33.06 0.20 1 180 84 19 MET CG C 32.05 0.20 1 181 84 19 MET CE C 17.17 0.20 1 182 84 19 MET N N 120.60 0.30 1 183 85 20 TYR H H 7.81 0.03 1 184 85 20 TYR HA H 4.46 0.03 1 185 85 20 TYR HB2 H 2.83 0.03 2 186 85 20 TYR HB3 H 3.02 0.03 2 187 85 20 TYR HD1 H 7.03 0.03 3 188 85 20 TYR HE1 H 6.72 0.03 3 189 85 20 TYR C C 175.49 0.20 1 190 85 20 TYR CA C 58.16 0.20 1 191 85 20 TYR CB C 38.98 0.20 1 192 85 20 TYR CD1 C 133.28 0.20 1 193 85 20 TYR CE1 C 118.22 0.20 1 194 85 20 TYR N N 118.98 0.30 1 195 86 21 ASP H H 8.06 0.03 1 196 86 21 ASP HA H 4.52 0.03 1 197 86 21 ASP HB2 H 2.57 0.03 2 198 86 21 ASP HB3 H 2.70 0.03 2 199 86 21 ASP C C 176.58 0.20 1 200 86 21 ASP CA C 54.48 0.20 1 201 86 21 ASP CB C 41.10 0.20 1 202 86 21 ASP N N 120.81 0.30 1 203 87 22 MET H H 8.14 0.03 1 204 87 22 MET HA H 4.29 0.03 1 205 87 22 MET HB3 H 2.02 0.03 2 206 87 22 MET HG2 H 2.48 0.03 2 207 87 22 MET HG3 H 2.57 0.03 2 208 87 22 MET HE H 1.97 0.03 1 209 87 22 MET C C 176.84 0.20 1 210 87 22 MET CA C 56.41 0.20 1 211 87 22 MET CB C 32.69 0.20 1 212 87 22 MET CG C 32.43 0.20 1 213 87 22 MET CE C 17.23 0.20 1 214 87 22 MET N N 120.41 0.30 1 215 88 23 GLN H H 8.19 0.03 1 216 88 23 GLN HA H 4.15 0.03 1 217 88 23 GLN HB2 H 1.99 0.03 2 218 88 23 GLN HB3 H 2.06 0.03 2 219 88 23 GLN HG3 H 2.31 0.03 2 220 88 23 GLN HE21 H 6.72 0.03 2 221 88 23 GLN HE22 H 7.51 0.03 2 222 88 23 GLN C C 176.18 0.20 1 223 88 23 GLN CA C 56.98 0.20 1 224 88 23 GLN CB C 29.02 0.20 1 225 88 23 GLN CG C 34.01 0.20 1 226 88 23 GLN N N 119.48 0.30 1 227 88 23 GLN NE2 N 111.95 0.30 1 228 89 24 ALA H H 7.94 0.03 1 229 89 24 ALA HA H 4.21 0.03 1 230 89 24 ALA HB H 1.30 0.03 1 231 89 24 ALA C C 177.92 0.20 1 232 89 24 ALA CA C 52.82 0.20 1 233 89 24 ALA CB C 19.04 0.20 1 234 89 24 ALA N N 123.00 0.30 1 235 90 25 LEU H H 7.84 0.03 1 236 90 25 LEU HA H 4.17 0.03 1 237 90 25 LEU HB2 H 1.44 0.03 2 238 90 25 LEU HB3 H 1.56 0.03 2 239 90 25 LEU HG H 1.51 0.03 1 240 90 25 LEU HD1 H 0.80 0.03 2 241 90 25 LEU HD2 H 0.74 0.03 2 242 90 25 LEU C C 177.38 0.20 1 243 90 25 LEU CA C 55.71 0.20 1 244 90 25 LEU CB C 42.30 0.20 1 245 90 25 LEU CG C 27.08 0.20 1 246 90 25 LEU CD1 C 25.12 0.20 2 247 90 25 LEU CD2 C 23.66 0.20 2 248 90 25 LEU N N 119.70 0.30 1 249 91 26 HIS H H 8.15 0.03 1 250 91 26 HIS HA H 4.55 0.03 1 251 91 26 HIS HB2 H 3.06 0.03 2 252 91 26 HIS HB3 H 3.13 0.03 2 253 91 26 HIS HD2 H 7.04 0.03 1 254 91 26 HIS C C 175.27 0.20 1 255 91 26 HIS CA C 56.32 0.20 1 256 91 26 HIS CB C 30.25 0.20 1 257 91 26 HIS CD2 C 120.15 0.20 1 258 91 26 HIS N N 118.22 0.30 1 259 92 27 GLU H H 8.24 0.03 1 260 92 27 GLU HA H 4.17 0.03 1 261 92 27 GLU HB2 H 1.91 0.03 2 262 92 27 GLU HB3 H 2.02 0.03 2 263 92 27 GLU HG3 H 2.16 0.03 2 264 92 27 GLU C C 176.47 0.20 1 265 92 27 GLU CA C 57.32 0.20 1 266 92 27 GLU CB C 30.15 0.20 1 267 92 27 GLU CG C 36.41 0.20 1 268 92 27 GLU N N 121.20 0.30 1 269 93 28 SER H H 8.12 0.03 1 270 93 28 SER HA H 4.37 0.03 1 271 93 28 SER HB3 H 3.82 0.03 2 272 93 28 SER C C 174.29 0.20 1 273 93 28 SER CA C 58.73 0.20 1 274 93 28 SER CB C 63.94 0.20 1 275 93 28 SER N N 115.23 0.30 1 276 94 29 GLU H H 8.27 0.03 1 277 94 29 GLU HA H 4.25 0.03 1 278 94 29 GLU HB2 H 1.91 0.03 2 279 94 29 GLU HB3 H 2.01 0.03 2 280 94 29 GLU HG3 H 2.17 0.03 2 281 94 29 GLU C C 176.00 0.20 1 282 94 29 GLU CA C 56.80 0.20 1 283 94 29 GLU CB C 30.45 0.20 1 284 94 29 GLU CG C 36.44 0.20 1 285 94 29 GLU N N 121.92 0.30 1 286 95 30 ILE H H 7.85 0.03 1 287 95 30 ILE HA H 4.09 0.03 1 288 95 30 ILE HB H 1.75 0.03 1 289 95 30 ILE HG12 H 1.35 0.03 2 290 95 30 ILE HG13 H 1.05 0.03 2 291 95 30 ILE HG2 H 0.77 0.03 1 292 95 30 ILE HD1 H 0.72 0.03 1 293 95 30 ILE C C 175.57 0.20 1 294 95 30 ILE CA C 60.90 0.20 1 295 95 30 ILE CB C 38.79 0.20 1 296 95 30 ILE CG1 C 27.28 0.20 1 297 95 30 ILE CG2 C 17.62 0.20 1 298 95 30 ILE CD1 C 12.99 0.20 1 299 95 30 ILE N N 120.00 0.30 1 300 96 31 LEU H H 8.05 0.03 1 301 96 31 LEU HA H 4.47 0.03 1 302 96 31 LEU HB2 H 1.16 0.03 2 303 96 31 LEU HB3 H 1.48 0.03 2 304 96 31 LEU HD1 H 0.77 0.03 2 305 96 31 LEU HD2 H 0.74 0.03 2 306 96 31 LEU CA C 52.61 0.20 1 307 96 31 LEU CB C 42.21 0.20 1 308 96 31 LEU CD1 C 25.47 0.20 2 309 96 31 LEU CD2 C 23.59 0.20 2 310 96 31 LEU N N 126.35 0.30 1 311 97 32 PRO HA H 4.34 0.03 1 312 97 32 PRO HB2 H 1.82 0.03 2 313 97 32 PRO HB3 H 2.08 0.03 2 314 97 32 PRO HG2 H 1.82 0.03 2 315 97 32 PRO HG3 H 1.90 0.03 2 316 97 32 PRO HD2 H 3.34 0.03 2 317 97 32 PRO HD3 H 3.65 0.03 2 318 97 32 PRO C C 175.30 0.20 1 319 97 32 PRO CA C 63.22 0.20 1 320 97 32 PRO CB C 31.66 0.20 1 321 97 32 PRO CG C 27.22 0.20 1 322 97 32 PRO CD C 50.21 0.20 1 323 98 33 PHE H H 7.10 0.03 1 324 98 33 PHE HA H 4.55 0.03 1 325 98 33 PHE HB3 H 2.89 0.03 2 326 98 33 PHE HD1 H 7.08 0.03 3 327 98 33 PHE HE1 H 6.94 0.03 3 328 98 33 PHE HZ H 7.23 0.03 1 329 98 33 PHE CA C 53.51 0.20 1 330 98 33 PHE CB C 39.12 0.20 1 331 98 33 PHE CD1 C 133.25 0.20 1 332 98 33 PHE N N 117.60 0.30 1 333 99 34 PRO HA H 4.18 0.03 1 334 99 34 PRO HB2 H 1.72 0.03 2 335 99 34 PRO HB3 H 2.06 0.03 2 336 99 34 PRO HD2 H 2.95 0.03 2 337 99 34 PRO HD3 H 3.25 0.03 2 338 99 34 PRO C C 175.65 0.20 1 339 99 34 PRO CA C 62.99 0.20 1 340 99 34 PRO CB C 31.53 0.20 1 341 99 34 PRO CD C 50.21 0.20 1 342 100 35 ASN H H 8.12 0.03 1 343 100 35 ASN HA H 4.96 0.03 1 344 100 35 ASN HB2 H 2.24 0.03 2 345 100 35 ASN HB3 H 2.78 0.03 2 346 100 35 ASN HD21 H 6.65 0.03 2 347 100 35 ASN HD22 H 7.59 0.03 2 348 100 35 ASN CA C 50.97 0.20 1 349 100 35 ASN CB C 39.45 0.20 1 350 100 35 ASN N N 119.39 0.30 1 351 100 35 ASN ND2 N 111.49 0.30 1 352 101 36 PRO HA H 4.38 0.03 1 353 101 36 PRO HD2 H 3.41 0.03 2 354 101 36 PRO HD3 H 3.49 0.03 2 355 101 36 PRO C C 175.70 0.20 1 356 101 36 PRO CA C 62.88 0.20 1 357 101 36 PRO CB C 32.06 0.20 1 358 101 36 PRO CG C 26.77 0.20 1 359 101 36 PRO CD C 50.21 0.20 1 360 102 37 GLU H H 8.08 0.03 1 361 102 37 GLU HA H 4.35 0.03 1 362 102 37 GLU HB3 H 1.90 0.03 2 363 102 37 GLU HG2 H 2.03 0.03 2 364 102 37 GLU HG3 H 2.27 0.03 2 365 102 37 GLU C C 176.67 0.20 1 366 102 37 GLU CA C 56.74 0.20 1 367 102 37 GLU CB C 30.14 0.20 1 368 102 37 GLU CG C 36.95 0.20 1 369 102 37 GLU N N 118.39 0.30 1 370 103 38 ARG H H 8.74 0.03 1 371 103 38 ARG HA H 4.47 0.03 1 372 103 38 ARG HB2 H 1.65 0.03 2 373 103 38 ARG HB3 H 1.73 0.03 2 374 103 38 ARG HG2 H 1.48 0.03 2 375 103 38 ARG HG3 H 1.54 0.03 2 376 103 38 ARG HD3 H 3.10 0.03 2 377 103 38 ARG C C 175.43 0.20 1 378 103 38 ARG CA C 54.99 0.20 1 379 103 38 ARG CB C 32.72 0.20 1 380 103 38 ARG CG C 26.94 0.20 1 381 103 38 ARG CD C 43.61 0.20 1 382 103 38 ARG N N 126.31 0.30 1 383 104 39 ASN HA H 4.60 0.03 1 384 104 39 ASN HB2 H 2.69 0.03 2 385 104 39 ASN HB3 H 2.97 0.03 2 386 104 39 ASN HD21 H 7.21 0.03 2 387 104 39 ASN HD22 H 7.74 0.03 2 388 104 39 ASN C C 174.96 0.20 1 389 104 39 ASN CA C 53.93 0.20 1 390 104 39 ASN CB C 38.70 0.20 1 391 104 39 ASN ND2 N 113.90 0.30 1 392 105 40 PHE H H 8.14 0.03 1 393 105 40 PHE HA H 3.95 0.03 1 394 105 40 PHE HB2 H 1.66 0.03 2 395 105 40 PHE HB3 H 2.50 0.03 2 396 105 40 PHE HD2 H 6.88 0.03 3 397 105 40 PHE HE2 H 7.22 0.03 3 398 105 40 PHE HZ H 6.92 0.03 1 399 105 40 PHE C C 172.90 0.20 1 400 105 40 PHE CA C 60.29 0.20 1 401 105 40 PHE CB C 38.29 0.20 1 402 105 40 PHE CD2 C 132.22 0.20 1 403 105 40 PHE CE2 C 130.99 0.20 1 404 105 40 PHE CZ C 128.01 0.20 1 405 105 40 PHE N N 125.70 0.30 1 406 106 41 VAL H H 6.16 0.03 1 407 106 41 VAL HA H 4.17 0.03 1 408 106 41 VAL HB H 1.67 0.03 1 409 106 41 VAL HG1 H 0.81 0.03 2 410 106 41 VAL HG2 H 0.73 0.03 2 411 106 41 VAL C C 174.21 0.20 1 412 106 41 VAL CA C 60.19 0.20 1 413 106 41 VAL CB C 35.50 0.20 1 414 106 41 VAL CG1 C 20.71 0.20 2 415 106 41 VAL CG2 C 21.08 0.20 2 416 106 41 VAL N N 123.79 0.30 1 417 107 42 LEU H H 8.34 0.03 1 418 107 42 LEU HA H 4.25 0.03 1 419 107 42 LEU HB2 H 1.23 0.03 2 420 107 42 LEU HB3 H 1.70 0.03 2 421 107 42 LEU HG H 1.43 0.03 1 422 107 42 LEU HD1 H 0.97 0.03 2 423 107 42 LEU HD2 H 0.65 0.03 2 424 107 42 LEU C C 174.18 0.20 1 425 107 42 LEU CA C 51.83 0.20 1 426 107 42 LEU CB C 41.76 0.20 1 427 107 42 LEU CG C 26.44 0.20 1 428 107 42 LEU CD1 C 25.82 0.20 2 429 107 42 LEU CD2 C 26.19 0.20 2 430 107 42 LEU N N 128.50 0.30 1 431 108 43 PRO HA H 4.16 0.03 1 432 108 43 PRO HB2 H 1.74 0.03 2 433 108 43 PRO HB3 H 2.47 0.03 2 434 108 43 PRO HG2 H 1.95 0.03 2 435 108 43 PRO HG3 H 2.08 0.03 2 436 108 43 PRO HD2 H 3.35 0.03 2 437 108 43 PRO HD3 H 3.95 0.03 2 438 108 43 PRO C C 177.53 0.20 1 439 108 43 PRO CA C 63.45 0.20 1 440 108 43 PRO CB C 32.66 0.20 1 441 108 43 PRO CG C 27.86 0.20 1 442 108 43 PRO CD C 51.10 0.20 1 443 109 44 GLU H H 8.63 0.03 1 444 109 44 GLU HA H 3.65 0.03 1 445 109 44 GLU HB3 H 1.91 0.03 2 446 109 44 GLU HG3 H 2.22 0.03 2 447 109 44 GLU C C 177.82 0.20 1 448 109 44 GLU CA C 59.36 0.20 1 449 109 44 GLU CB C 29.48 0.20 1 450 109 44 GLU CG C 36.38 0.20 1 451 109 44 GLU N N 125.82 0.30 1 452 110 45 GLU H H 9.27 0.03 1 453 110 45 GLU HA H 3.98 0.03 1 454 110 45 GLU HB3 H 1.94 0.03 2 455 110 45 GLU HG3 H 2.21 0.03 2 456 110 45 GLU C C 178.71 0.20 1 457 110 45 GLU CA C 59.54 0.20 1 458 110 45 GLU CB C 28.78 0.20 1 459 110 45 GLU CG C 36.35 0.20 1 460 110 45 GLU N N 116.98 0.30 1 461 111 46 ILE H H 7.17 0.03 1 462 111 46 ILE HA H 3.77 0.03 1 463 111 46 ILE HB H 1.74 0.03 1 464 111 46 ILE HG12 H 1.66 0.03 2 465 111 46 ILE HG13 H 1.02 0.03 2 466 111 46 ILE HG2 H 0.72 0.03 1 467 111 46 ILE HD1 H 0.87 0.03 1 468 111 46 ILE C C 176.42 0.20 1 469 111 46 ILE CA C 64.56 0.20 1 470 111 46 ILE CB C 38.02 0.20 1 471 111 46 ILE CG1 C 29.53 0.20 1 472 111 46 ILE CG2 C 17.16 0.20 1 473 111 46 ILE CD1 C 12.80 0.20 1 474 111 46 ILE N N 118.81 0.30 1 475 112 47 ILE H H 6.53 0.03 1 476 112 47 ILE HA H 3.24 0.03 1 477 112 47 ILE HB H 1.52 0.03 1 478 112 47 ILE HG12 H 1.02 0.03 2 479 112 47 ILE HG13 H 0.09 0.03 2 480 112 47 ILE HG2 H 0.58 0.03 1 481 112 47 ILE HD1 H -0.25 0.03 1 482 112 47 ILE C C 177.83 0.20 1 483 112 47 ILE CA C 65.33 0.20 1 484 112 47 ILE CB C 38.52 0.20 1 485 112 47 ILE CG1 C 29.61 0.20 1 486 112 47 ILE CG2 C 17.36 0.20 1 487 112 47 ILE CD1 C 12.61 0.20 1 488 112 47 ILE N N 118.48 0.30 1 489 113 48 GLN H H 8.21 0.03 1 490 113 48 GLN HA H 3.87 0.03 1 491 113 48 GLN HB3 H 1.96 0.03 2 492 113 48 GLN HG3 H 2.31 0.03 2 493 113 48 GLN HE21 H 6.64 0.03 2 494 113 48 GLN HE22 H 7.49 0.03 2 495 113 48 GLN C C 178.04 0.20 1 496 113 48 GLN CA C 58.59 0.20 1 497 113 48 GLN CB C 28.45 0.20 1 498 113 48 GLN CG C 33.67 0.20 1 499 113 48 GLN N N 116.72 0.30 1 500 113 48 GLN NE2 N 111.40 0.30 1 501 114 49 GLU H H 7.70 0.03 1 502 114 49 GLU HA H 3.94 0.03 1 503 114 49 GLU HB2 H 1.95 0.03 2 504 114 49 GLU HB3 H 2.15 0.03 2 505 114 49 GLU HG2 H 2.15 0.03 2 506 114 49 GLU HG3 H 2.39 0.03 2 507 114 49 GLU C C 178.79 0.20 1 508 114 49 GLU CA C 59.11 0.20 1 509 114 49 GLU CB C 29.68 0.20 1 510 114 49 GLU CG C 36.54 0.20 1 511 114 49 GLU N N 118.71 0.30 1 512 115 50 VAL H H 7.60 0.03 1 513 115 50 VAL HA H 3.75 0.03 1 514 115 50 VAL HB H 1.99 0.03 1 515 115 50 VAL HG1 H 0.85 0.03 2 516 115 50 VAL HG2 H 0.85 0.03 2 517 115 50 VAL C C 177.86 0.20 1 518 115 50 VAL CA C 65.17 0.20 1 519 115 50 VAL CB C 32.59 0.20 1 520 115 50 VAL CG1 C 23.29 0.20 2 521 115 50 VAL CG2 C 21.28 0.20 2 522 115 50 VAL N N 118.09 0.30 1 523 116 51 ARG H H 8.30 0.03 1 524 116 51 ARG HA H 4.16 0.03 1 525 116 51 ARG HB3 H 1.86 0.03 2 526 116 51 ARG HG2 H 1.58 0.03 2 527 116 51 ARG HG3 H 1.74 0.03 2 528 116 51 ARG HD3 H 3.12 0.03 2 529 116 51 ARG C C 177.43 0.20 1 530 116 51 ARG CA C 57.74 0.20 1 531 116 51 ARG CB C 30.72 0.20 1 532 116 51 ARG CG C 27.91 0.20 1 533 116 51 ARG CD C 43.50 0.20 1 534 116 51 ARG N N 118.41 0.30 1 535 117 52 GLU H H 8.00 0.03 1 536 117 52 GLU HA H 4.26 0.03 1 537 117 52 GLU HB3 H 2.02 0.03 2 538 117 52 GLU HG3 H 2.23 0.03 2 539 117 52 GLU C C 177.15 0.20 1 540 117 52 GLU CA C 57.09 0.20 1 541 117 52 GLU CB C 30.11 0.20 1 542 117 52 GLU CG C 36.42 0.20 1 543 117 52 GLU N N 118.30 0.30 1 544 118 53 GLY H H 7.93 0.03 1 545 118 53 GLY HA3 H 3.91 0.03 2 546 118 53 GLY C C 173.44 0.20 1 547 118 53 GLY CA C 45.88 0.20 1 548 118 53 GLY N N 109.17 0.30 1 549 119 54 LYS H H 7.62 0.03 1 550 119 54 LYS HA H 4.14 0.03 1 551 119 54 LYS HB2 H 1.65 0.03 2 552 119 54 LYS HB3 H 1.80 0.03 2 553 119 54 LYS HG3 H 1.33 0.03 2 554 119 54 LYS HD3 H 1.60 0.03 2 555 119 54 LYS HE3 H 2.93 0.03 2 556 119 54 LYS C C 171.30 0.20 1 557 119 54 LYS CA C 57.34 0.20 1 558 119 54 LYS CB C 34.08 0.20 1 559 119 54 LYS CG C 24.86 0.20 1 560 119 54 LYS CD C 28.98 0.20 1 561 119 54 LYS CE C 42.08 0.20 1 562 119 54 LYS N N 125.48 0.30 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D double half-filtered 1H-1H NOESY' '3D 15N,13C-filtered, 15N,13C-edited 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MRG15 _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 1 153 2 ASN HA H 4.69 0.03 1 2 153 2 ASN HB2 H 2.66 0.03 2 3 153 2 ASN HB3 H 2.74 0.03 2 4 153 2 ASN HD21 H 6.81 0.03 2 5 153 2 ASN HD22 H 7.45 0.03 2 6 153 2 ASN C C 174.50 0.20 1 7 153 2 ASN CA C 53.33 0.20 1 8 153 2 ASN CB C 39.09 0.20 1 9 153 2 ASN ND2 N 112.39 0.30 1 10 154 3 ALA H H 8.18 0.03 1 11 154 3 ALA HA H 4.23 0.03 1 12 154 3 ALA HB H 1.28 0.03 1 13 154 3 ALA C C 176.87 0.20 1 14 154 3 ALA CA C 52.33 0.20 1 15 154 3 ALA CB C 19.53 0.20 1 16 154 3 ALA N N 123.75 0.30 1 17 155 4 GLU H H 8.09 0.03 1 18 155 4 GLU HA H 4.06 0.03 1 19 155 4 GLU HB3 H 1.82 0.03 2 20 155 4 GLU HG3 H 2.06 0.03 2 21 155 4 GLU C C 175.96 0.20 1 22 155 4 GLU CA C 56.48 0.20 1 23 155 4 GLU CB C 30.78 0.20 1 24 155 4 GLU CG C 36.28 0.20 1 25 155 4 GLU N N 119.27 0.30 1 26 156 5 VAL H H 7.84 0.03 1 27 156 5 VAL HA H 3.92 0.03 1 28 156 5 VAL HB H 2.01 0.03 1 29 156 5 VAL HG1 H 0.83 0.03 2 30 156 5 VAL HG2 H 0.81 0.03 2 31 156 5 VAL C C 175.02 0.20 1 32 156 5 VAL CA C 62.32 0.20 1 33 156 5 VAL CB C 32.31 0.20 1 34 156 5 VAL CG1 C 21.49 0.20 2 35 156 5 VAL CG2 C 22.33 0.20 2 36 156 5 VAL N N 124.08 0.30 1 37 157 6 LYS H H 8.24 0.03 1 38 157 6 LYS HA H 4.33 0.03 1 39 157 6 LYS HB3 H 1.67 0.03 2 40 157 6 LYS HG3 H 1.30 0.03 2 41 157 6 LYS HD3 H 1.59 0.03 2 42 157 6 LYS HE3 H 2.90 0.03 2 43 157 6 LYS C C 174.99 0.20 1 44 157 6 LYS CA C 55.69 0.20 1 45 157 6 LYS CB C 33.41 0.20 1 46 157 6 LYS CG C 24.86 0.20 1 47 157 6 LYS CD C 28.99 0.20 1 48 157 6 LYS CE C 42.02 0.20 1 49 157 6 LYS N N 126.13 0.30 1 50 158 7 VAL H H 8.07 0.03 1 51 158 7 VAL HA H 4.32 0.03 1 52 158 7 VAL HB H 2.05 0.03 1 53 158 7 VAL HG1 H 0.85 0.03 2 54 158 7 VAL HG2 H 0.73 0.03 2 55 158 7 VAL C C 175.63 0.20 1 56 158 7 VAL CA C 61.32 0.20 1 57 158 7 VAL CB C 32.78 0.20 1 58 158 7 VAL CG1 C 22.00 0.20 2 59 158 7 VAL CG2 C 21.78 0.20 2 60 158 7 VAL N N 124.28 0.30 1 61 159 8 LYS HA H 4.28 0.03 1 62 159 8 LYS HB3 H 1.53 0.03 2 63 159 8 LYS HG2 H 1.13 0.03 2 64 159 8 LYS HG3 H 1.29 0.03 2 65 159 8 LYS HD3 H 1.50 0.03 2 66 159 8 LYS HE3 H 2.85 0.03 2 67 159 8 LYS C C 175.49 0.20 1 68 159 8 LYS CA C 55.64 0.20 1 69 159 8 LYS CB C 32.24 0.20 1 70 159 8 LYS CG C 24.98 0.20 1 71 159 8 LYS CD C 29.14 0.20 1 72 159 8 LYS CE C 41.93 0.20 1 73 160 9 ILE H H 8.51 0.03 1 74 160 9 ILE HA H 4.16 0.03 1 75 160 9 ILE HB H 1.76 0.03 1 76 160 9 ILE HG12 H 1.49 0.03 2 77 160 9 ILE HG13 H 1.29 0.03 2 78 160 9 ILE HG2 H 0.84 0.03 1 79 160 9 ILE HD1 H 0.70 0.03 1 80 160 9 ILE C C 174.64 0.20 1 81 160 9 ILE CA C 57.99 0.20 1 82 160 9 ILE CB C 37.94 0.20 1 83 160 9 ILE CG1 C 27.89 0.20 1 84 160 9 ILE CG2 C 16.72 0.20 1 85 160 9 ILE CD1 C 11.53 0.20 1 86 160 9 ILE N N 127.58 0.30 1 87 161 10 PRO HA H 4.33 0.03 1 88 161 10 PRO HB2 H 1.59 0.03 2 89 161 10 PRO HB3 H 2.52 0.03 2 90 161 10 PRO HD3 H 3.40 0.03 2 91 161 10 PRO C C 177.21 0.20 1 92 161 10 PRO CA C 63.62 0.20 1 93 161 10 PRO CB C 32.87 0.20 1 94 161 10 PRO CD C 52.47 0.20 1 95 162 11 GLU H H 8.96 0.03 1 96 162 11 GLU HA H 3.75 0.03 1 97 162 11 GLU HB2 H 1.95 0.03 2 98 162 11 GLU HB3 H 2.04 0.03 2 99 162 11 GLU HG3 H 2.37 0.03 2 100 162 11 GLU C C 179.21 0.20 1 101 162 11 GLU CA C 60.14 0.20 1 102 162 11 GLU CB C 29.50 0.20 1 103 162 11 GLU CG C 36.27 0.20 1 104 162 11 GLU N N 124.48 0.30 1 105 163 12 GLU H H 10.12 0.03 1 106 163 12 GLU HA H 4.07 0.03 1 107 163 12 GLU HB2 H 1.91 0.03 2 108 163 12 GLU HB3 H 2.03 0.03 2 109 163 12 GLU HG3 H 2.34 0.03 2 110 163 12 GLU C C 177.90 0.20 1 111 163 12 GLU CA C 59.45 0.20 1 112 163 12 GLU CB C 29.59 0.20 1 113 163 12 GLU CG C 36.60 0.20 1 114 163 12 GLU N N 116.06 0.30 1 115 164 13 LEU H H 7.72 0.03 1 116 164 13 LEU HA H 4.49 0.03 1 117 164 13 LEU HB2 H 1.37 0.03 2 118 164 13 LEU HB3 H 1.61 0.03 2 119 164 13 LEU HG H 1.33 0.03 1 120 164 13 LEU HD1 H 0.79 0.03 2 121 164 13 LEU HD2 H 0.58 0.03 2 122 164 13 LEU C C 177.10 0.20 1 123 164 13 LEU CA C 54.59 0.20 1 124 164 13 LEU CB C 43.26 0.20 1 125 164 13 LEU CG C 27.63 0.20 1 126 164 13 LEU CD1 C 26.38 0.20 2 127 164 13 LEU CD2 C 23.30 0.20 2 128 164 13 LEU N N 114.52 0.30 1 129 165 14 LYS H H 7.32 0.03 1 130 165 14 LYS HA H 3.92 0.03 1 131 165 14 LYS HB2 H 1.61 0.03 2 132 165 14 LYS HB3 H 1.97 0.03 2 133 165 14 LYS HG3 H 1.66 0.03 2 134 165 14 LYS HE2 H 2.72 0.03 2 135 165 14 LYS HE3 H 2.89 0.03 2 136 165 14 LYS CA C 62.49 0.20 1 137 165 14 LYS CB C 30.64 0.20 1 138 165 14 LYS CG C 27.85 0.20 1 139 165 14 LYS CE C 41.73 0.20 1 140 165 14 LYS N N 119.69 0.30 1 141 166 15 PRO HA H 4.03 0.03 1 142 166 15 PRO HB2 H 1.59 0.03 2 143 166 15 PRO HB3 H 2.18 0.03 2 144 166 15 PRO HG2 H 1.80 0.03 2 145 166 15 PRO HG3 H 1.97 0.03 2 146 166 15 PRO HD2 H 3.46 0.03 2 147 166 15 PRO HD3 H 3.79 0.03 2 148 166 15 PRO C C 178.36 0.20 1 149 166 15 PRO CA C 66.15 0.20 1 150 166 15 PRO CB C 30.84 0.20 1 151 166 15 PRO CG C 28.68 0.20 1 152 166 15 PRO CD C 50.99 0.20 1 153 167 16 TRP H H 6.87 0.03 1 154 167 16 TRP HA H 4.34 0.03 1 155 167 16 TRP HB2 H 2.87 0.03 2 156 167 16 TRP HB3 H 2.95 0.03 2 157 167 16 TRP HD1 H 6.79 0.03 1 158 167 16 TRP HE1 H 9.76 0.03 1 159 167 16 TRP HE3 H 7.66 0.03 1 160 167 16 TRP HZ3 H 7.03 0.03 1 161 167 16 TRP C C 177.97 0.20 1 162 167 16 TRP CA C 59.61 0.20 1 163 167 16 TRP N N 115.99 0.30 1 164 167 16 TRP NE1 N 126.12 0.30 1 165 168 17 LEU H H 7.37 0.03 1 166 168 17 LEU HA H 4.02 0.03 1 167 168 17 LEU HB2 H 1.57 0.03 2 168 168 17 LEU HB3 H 2.12 0.03 2 169 168 17 LEU HG H 1.75 0.03 1 170 168 17 LEU HD1 H 1.02 0.03 2 171 168 17 LEU HD2 H 0.87 0.03 2 172 168 17 LEU C C 179.74 0.20 1 173 168 17 LEU CA C 58.58 0.20 1 174 168 17 LEU CB C 42.27 0.20 1 175 168 17 LEU CG C 28.03 0.20 1 176 168 17 LEU CD1 C 23.83 0.20 2 177 168 17 LEU CD2 C 26.77 0.20 2 178 168 17 LEU N N 118.52 0.30 1 179 169 18 VAL H H 7.34 0.03 1 180 169 18 VAL HA H 3.67 0.03 1 181 169 18 VAL HB H 2.10 0.03 1 182 169 18 VAL HG1 H 1.06 0.03 2 183 169 18 VAL HG2 H 0.83 0.03 2 184 169 18 VAL C C 176.50 0.20 1 185 169 18 VAL CA C 66.48 0.20 1 186 169 18 VAL CB C 31.82 0.20 1 187 169 18 VAL CG1 C 21.93 0.20 2 188 169 18 VAL CG2 C 24.81 0.20 2 189 169 18 VAL N N 118.93 0.30 1 190 170 19 ASP H H 8.30 0.03 1 191 170 19 ASP HA H 4.31 0.03 1 192 170 19 ASP HB2 H 2.12 0.03 2 193 170 19 ASP HB3 H 2.27 0.03 2 194 170 19 ASP C C 177.68 0.20 1 195 170 19 ASP CA C 58.12 0.20 1 196 170 19 ASP CB C 39.77 0.20 1 197 171 20 ASP H H 7.95 0.03 1 198 171 20 ASP HA H 4.07 0.03 1 199 171 20 ASP HB2 H 2.74 0.03 2 200 171 20 ASP HB3 H 2.84 0.03 2 201 171 20 ASP C C 174.84 0.20 1 202 171 20 ASP CA C 57.53 0.20 1 203 171 20 ASP CB C 43.11 0.20 1 204 171 20 ASP N N 119.09 0.30 1 205 172 21 TRP H H 7.52 0.03 1 206 172 21 TRP HA H 3.96 0.03 1 207 172 21 TRP HB2 H 3.69 0.03 2 208 172 21 TRP HB3 H 3.74 0.03 2 209 172 21 TRP HD1 H 7.40 0.03 1 210 172 21 TRP HE1 H 9.82 0.03 1 211 172 21 TRP HE3 H 7.92 0.03 1 212 172 21 TRP HZ2 H 7.37 0.03 1 213 172 21 TRP HZ3 H 6.84 0.03 1 214 172 21 TRP HH2 H 7.04 0.03 1 215 172 21 TRP C C 179.21 0.20 1 216 172 21 TRP CA C 61.17 0.20 1 217 172 21 TRP CB C 29.25 0.20 1 218 172 21 TRP N N 118.02 0.30 1 219 172 21 TRP NE1 N 129.37 0.30 1 220 173 22 ASP H H 8.91 0.03 1 221 173 22 ASP HA H 3.33 0.03 1 222 173 22 ASP HB2 H 2.62 0.03 2 223 173 22 ASP HB3 H 2.76 0.03 2 224 173 22 ASP C C 178.40 0.20 1 225 173 22 ASP CA C 57.78 0.20 1 226 173 22 ASP CB C 43.45 0.20 1 227 173 22 ASP N N 122.98 0.30 1 228 174 23 LEU H H 8.92 0.03 1 229 174 23 LEU HA H 3.40 0.03 1 230 174 23 LEU HB2 H 0.61 0.03 2 231 174 23 LEU HB3 H 1.69 0.03 2 232 174 23 LEU HG H 1.40 0.03 1 233 174 23 LEU HD1 H 0.45 0.03 2 234 174 23 LEU HD2 H -0.08 0.03 2 235 174 23 LEU C C 177.53 0.20 1 236 174 23 LEU CA C 58.69 0.20 1 237 174 23 LEU CB C 42.04 0.20 1 238 174 23 LEU CG C 27.53 0.20 1 239 174 23 LEU CD1 C 23.68 0.20 2 240 174 23 LEU CD2 C 23.77 0.20 2 241 174 23 LEU N N 121.48 0.30 1 242 175 24 ILE H H 7.72 0.03 1 243 175 24 ILE HA H 4.56 0.03 1 244 175 24 ILE HB H 1.68 0.03 1 245 175 24 ILE HG12 H 2.14 0.03 2 246 175 24 ILE HG13 H 1.64 0.03 2 247 175 24 ILE HG2 H 1.07 0.03 1 248 175 24 ILE HD1 H 1.29 0.03 1 249 175 24 ILE C C 178.30 0.20 1 250 175 24 ILE CA C 61.81 0.20 1 251 175 24 ILE CB C 37.95 0.20 1 252 175 24 ILE CG1 C 27.39 0.20 1 253 175 24 ILE CG2 C 19.16 0.20 1 254 175 24 ILE CD1 C 11.98 0.20 1 255 175 24 ILE N N 114.09 0.30 1 256 176 25 THR H H 7.90 0.03 1 257 176 25 THR HA H 3.73 0.03 1 258 176 25 THR HB H 3.77 0.03 1 259 176 25 THR HG1 H 2.75 0.03 1 260 176 25 THR HG2 H 0.81 0.03 1 261 176 25 THR C C 176.27 0.20 1 262 176 25 THR CA C 64.62 0.20 1 263 176 25 THR CB C 69.74 0.20 1 264 176 25 THR CG2 C 21.38 0.20 1 265 176 25 THR N N 105.18 0.30 1 266 177 26 ARG H H 7.39 0.03 1 267 177 26 ARG HA H 4.29 0.03 1 268 177 26 ARG HB3 H 1.70 0.03 2 269 177 26 ARG HG2 H 1.04 0.03 2 270 177 26 ARG HG3 H 1.15 0.03 2 271 177 26 ARG HD2 H 2.70 0.03 2 272 177 26 ARG HD3 H 2.96 0.03 2 273 177 26 ARG C C 177.93 0.20 1 274 177 26 ARG CA C 57.71 0.20 1 275 177 26 ARG CB C 30.74 0.20 1 276 177 26 ARG CG C 27.78 0.20 1 277 177 26 ARG CD C 42.83 0.20 1 278 177 26 ARG N N 120.89 0.30 1 279 178 27 GLN H H 7.99 0.03 1 280 178 27 GLN HA H 4.10 0.03 1 281 178 27 GLN HB2 H 2.28 0.03 2 282 178 27 GLN HB3 H 2.44 0.03 2 283 178 27 GLN HG2 H 1.98 0.03 2 284 178 27 GLN HG3 H 2.12 0.03 2 285 178 27 GLN HE21 H 6.55 0.03 2 286 178 27 GLN HE22 H 7.64 0.03 2 287 178 27 GLN C C 175.28 0.20 1 288 178 27 GLN CA C 56.72 0.20 1 289 178 27 GLN CB C 28.81 0.20 1 290 178 27 GLN N N 115.06 0.30 1 291 178 27 GLN NE2 N 113.57 0.30 1 292 179 28 LYS H H 6.70 0.03 1 293 179 28 LYS HA H 3.58 0.03 1 294 179 28 LYS HB2 H 1.57 0.03 2 295 179 28 LYS HB3 H 2.02 0.03 2 296 179 28 LYS HG2 H 0.64 0.03 2 297 179 28 LYS HG3 H 0.92 0.03 2 298 179 28 LYS HD2 H 0.87 0.03 2 299 179 28 LYS HD3 H 1.12 0.03 2 300 179 28 LYS HE3 H 2.68 0.03 2 301 179 28 LYS C C 175.56 0.20 1 302 179 28 LYS CA C 56.40 0.20 1 303 179 28 LYS CB C 27.98 0.20 1 304 179 28 LYS CG C 24.55 0.20 1 305 179 28 LYS CD C 28.10 0.20 1 306 179 28 LYS CE C 42.51 0.20 1 307 179 28 LYS N N 112.57 0.30 1 308 180 29 GLN H H 8.45 0.03 1 309 180 29 GLN HA H 4.81 0.03 1 310 180 29 GLN HB2 H 1.47 0.03 2 311 180 29 GLN HB3 H 2.25 0.03 2 312 180 29 GLN HG2 H 1.86 0.03 2 313 180 29 GLN HG3 H 2.20 0.03 2 314 180 29 GLN HE21 H 6.05 0.03 2 315 180 29 GLN HE22 H 6.42 0.03 2 316 180 29 GLN C C 172.88 0.20 1 317 180 29 GLN CA C 55.03 0.20 1 318 180 29 GLN CB C 29.69 0.20 1 319 180 29 GLN CG C 34.89 0.20 1 320 180 29 GLN N N 118.12 0.30 1 321 180 29 GLN NE2 N 105.93 0.30 1 322 181 30 LEU H H 8.37 0.03 1 323 181 30 LEU HA H 4.96 0.03 1 324 181 30 LEU HB3 H 1.45 0.03 2 325 181 30 LEU HG H 1.29 0.03 1 326 181 30 LEU HD1 H 0.83 0.03 2 327 181 30 LEU HD2 H -0.09 0.03 2 328 181 30 LEU C C 177.50 0.20 1 329 181 30 LEU CA C 52.78 0.20 1 330 181 30 LEU CB C 46.94 0.20 1 331 181 30 LEU CG C 27.30 0.20 1 332 181 30 LEU CD1 C 23.29 0.20 2 333 181 30 LEU CD2 C 24.77 0.20 2 334 181 30 LEU N N 112.83 0.30 1 335 182 31 PHE H H 9.92 0.03 1 336 182 31 PHE HA H 3.84 0.03 1 337 182 31 PHE HB2 H 2.61 0.03 2 338 182 31 PHE HB3 H 3.08 0.03 2 339 182 31 PHE HD1 H 6.58 0.03 3 340 182 31 PHE HE1 H 7.39 0.03 3 341 182 31 PHE HZ H 7.52 0.03 1 342 182 31 PHE C C 174.99 0.20 1 343 182 31 PHE CA C 58.98 0.20 1 344 182 31 PHE CB C 40.56 0.20 1 345 182 31 PHE N N 126.23 0.30 1 346 183 32 TYR H H 7.80 0.03 1 347 183 32 TYR HA H 3.94 0.03 1 348 183 32 TYR HB2 H 2.43 0.03 2 349 183 32 TYR HB3 H 2.60 0.03 2 350 183 32 TYR HD1 H 6.90 0.03 3 351 183 32 TYR HE1 H 6.69 0.03 3 352 183 32 TYR C C 173.32 0.20 1 353 183 32 TYR CA C 59.90 0.20 1 354 183 32 TYR CB C 37.47 0.20 1 355 183 32 TYR N N 127.76 0.30 1 356 184 33 LEU H H 6.92 0.03 1 357 184 33 LEU HA H 4.43 0.03 1 358 184 33 LEU HB2 H 0.62 0.03 2 359 184 33 LEU HB3 H 1.26 0.03 2 360 184 33 LEU HG H 1.64 0.03 1 361 184 33 LEU HD1 H 0.52 0.03 2 362 184 33 LEU HD2 H 0.32 0.03 2 363 184 33 LEU C C 175.44 0.20 1 364 184 33 LEU CA C 50.90 0.20 1 365 184 33 LEU CB C 45.46 0.20 1 366 184 33 LEU CG C 26.14 0.20 1 367 184 33 LEU CD1 C 24.38 0.20 2 368 184 33 LEU CD2 C 27.45 0.20 2 369 184 33 LEU N N 125.93 0.30 1 370 185 34 PRO HA H 4.10 0.03 1 371 185 34 PRO HB2 H 2.10 0.03 2 372 185 34 PRO HB3 H 2.16 0.03 2 373 185 34 PRO HG2 H 1.49 0.03 2 374 185 34 PRO HG3 H 1.94 0.03 2 375 185 34 PRO HD3 H 3.38 0.03 2 376 185 34 PRO C C 175.43 0.20 1 377 185 34 PRO CA C 62.10 0.20 1 378 185 34 PRO CB C 34.43 0.20 1 379 185 34 PRO CG C 25.85 0.20 1 380 185 34 PRO CD C 50.37 0.20 1 381 186 35 ALA H H 9.12 0.03 1 382 186 35 ALA HA H 4.44 0.03 1 383 186 35 ALA HB H 1.16 0.03 1 384 186 35 ALA C C 178.03 0.20 1 385 186 35 ALA CA C 52.16 0.20 1 386 186 35 ALA CB C 19.01 0.20 1 387 186 35 ALA N N 124.86 0.30 1 388 187 36 LYS H H 8.55 0.03 1 389 187 36 LYS HA H 4.00 0.03 1 390 187 36 LYS HB2 H 1.69 0.03 2 391 187 36 LYS HB3 H 1.77 0.03 2 392 187 36 LYS HG2 H 1.39 0.03 2 393 187 36 LYS HG3 H 1.49 0.03 2 394 187 36 LYS HD3 H 1.59 0.03 2 395 187 36 LYS HE2 H 2.69 0.03 2 396 187 36 LYS HE3 H 2.79 0.03 2 397 187 36 LYS C C 177.37 0.20 1 398 187 36 LYS CA C 58.73 0.20 1 399 187 36 LYS CB C 32.20 0.20 1 400 187 36 LYS CG C 25.61 0.20 1 401 187 36 LYS CD C 29.04 0.20 1 402 187 36 LYS CE C 41.85 0.20 1 403 187 36 LYS N N 122.67 0.30 1 404 188 37 LYS H H 8.05 0.03 1 405 188 37 LYS HA H 4.58 0.03 1 406 188 37 LYS HB2 H 1.42 0.03 2 407 188 37 LYS HB3 H 1.88 0.03 2 408 188 37 LYS HG2 H 1.15 0.03 2 409 188 37 LYS HG3 H 1.25 0.03 2 410 188 37 LYS HD2 H 1.55 0.03 2 411 188 37 LYS HD3 H 1.68 0.03 2 412 188 37 LYS HE2 H 2.52 0.03 2 413 188 37 LYS HE3 H 2.79 0.03 2 414 188 37 LYS C C 174.39 0.20 1 415 188 37 LYS CA C 54.14 0.20 1 416 188 37 LYS CB C 33.08 0.20 1 417 188 37 LYS CG C 24.81 0.20 1 418 188 37 LYS CD C 29.37 0.20 1 419 188 37 LYS CE C 42.25 0.20 1 420 188 37 LYS N N 120.66 0.30 1 421 189 38 ASN H H 8.35 0.03 1 422 189 38 ASN HA H 4.82 0.03 1 423 189 38 ASN HB2 H 2.57 0.03 2 424 189 38 ASN HB3 H 3.39 0.03 2 425 189 38 ASN HD21 H 7.00 0.03 2 426 189 38 ASN HD22 H 7.59 0.03 2 427 189 38 ASN C C 174.96 0.20 1 428 189 38 ASN CA C 51.70 0.20 1 429 189 38 ASN CB C 39.26 0.20 1 430 189 38 ASN N N 122.26 0.30 1 431 189 38 ASN ND2 N 111.19 0.30 1 432 190 39 VAL H H 7.84 0.03 1 433 190 39 VAL HA H 3.22 0.03 1 434 190 39 VAL HB H 2.08 0.03 1 435 190 39 VAL HG1 H 0.36 0.03 2 436 190 39 VAL HG2 H 0.15 0.03 2 437 190 39 VAL C C 177.27 0.20 1 438 190 39 VAL CA C 68.10 0.20 1 439 190 39 VAL CB C 30.96 0.20 1 440 190 39 VAL CG1 C 21.44 0.20 2 441 190 39 VAL CG2 C 23.84 0.20 2 442 190 39 VAL N N 119.99 0.30 1 443 191 40 ASP H H 7.84 0.03 1 444 191 40 ASP HA H 4.08 0.03 1 445 191 40 ASP HB2 H 2.44 0.03 2 446 191 40 ASP HB3 H 2.50 0.03 2 447 191 40 ASP C C 178.71 0.20 1 448 191 40 ASP CA C 58.63 0.20 1 449 191 40 ASP CB C 40.14 0.20 1 450 191 40 ASP N N 118.81 0.30 1 451 192 41 SER H H 8.39 0.03 1 452 192 41 SER HA H 4.24 0.03 1 453 192 41 SER HB3 H 4.03 0.03 2 454 192 41 SER C C 176.40 0.20 1 455 192 41 SER CA C 61.43 0.20 1 456 192 41 SER CB C 63.50 0.20 1 457 192 41 SER N N 115.26 0.30 1 458 193 42 ILE H H 8.01 0.03 1 459 193 42 ILE HA H 3.73 0.03 1 460 193 42 ILE HB H 1.83 0.03 1 461 193 42 ILE HG12 H 1.89 0.03 2 462 193 42 ILE HG13 H 0.75 0.03 2 463 193 42 ILE HG2 H 0.98 0.03 1 464 193 42 ILE HD1 H 0.64 0.03 1 465 193 42 ILE C C 178.10 0.20 1 466 193 42 ILE CA C 65.78 0.20 1 467 193 42 ILE CB C 38.90 0.20 1 468 193 42 ILE CG1 C 29.71 0.20 1 469 193 42 ILE CG2 C 17.41 0.20 1 470 193 42 ILE CD1 C 14.24 0.20 1 471 193 42 ILE N N 122.98 0.30 1 472 194 43 LEU H H 8.41 0.03 1 473 194 43 LEU HA H 4.06 0.03 1 474 194 43 LEU HB2 H 1.41 0.03 2 475 194 43 LEU HB3 H 1.96 0.03 2 476 194 43 LEU HG H 1.77 0.03 1 477 194 43 LEU HD1 H 0.74 0.03 2 478 194 43 LEU HD2 H 0.53 0.03 2 479 194 43 LEU C C 178.77 0.20 1 480 194 43 LEU CA C 58.25 0.20 1 481 194 43 LEU CB C 41.06 0.20 1 482 194 43 LEU CG C 27.08 0.20 1 483 194 43 LEU CD1 C 26.67 0.20 2 484 194 43 LEU CD2 C 23.36 0.20 2 485 194 43 LEU N N 117.96 0.30 1 486 195 44 GLU H H 7.95 0.03 1 487 195 44 GLU HA H 4.04 0.03 1 488 195 44 GLU HB3 H 2.10 0.03 2 489 195 44 GLU HG3 H 2.26 0.03 2 490 195 44 GLU C C 178.74 0.20 1 491 195 44 GLU CA C 59.27 0.20 1 492 195 44 GLU CB C 29.61 0.20 1 493 195 44 GLU CG C 36.28 0.20 1 494 195 44 GLU N N 120.03 0.30 1 495 196 45 ASP H H 8.41 0.03 1 496 196 45 ASP HA H 4.37 0.03 1 497 196 45 ASP HB2 H 2.86 0.03 2 498 196 45 ASP HB3 H 3.18 0.03 2 499 196 45 ASP C C 179.98 0.20 1 500 196 45 ASP CA C 57.32 0.20 1 501 196 45 ASP CB C 39.74 0.20 1 502 196 45 ASP N N 120.64 0.30 1 503 197 46 TYR H H 8.26 0.03 1 504 197 46 TYR HA H 3.41 0.03 1 505 197 46 TYR HB2 H 2.61 0.03 2 506 197 46 TYR HB3 H 3.02 0.03 2 507 197 46 TYR HD2 H 6.49 0.03 3 508 197 46 TYR HE2 H 6.68 0.03 3 509 197 46 TYR C C 176.27 0.20 1 510 197 46 TYR CA C 60.93 0.20 1 511 197 46 TYR CB C 38.26 0.20 1 512 197 46 TYR N N 122.01 0.30 1 513 198 47 ALA H H 8.43 0.03 1 514 198 47 ALA HA H 3.55 0.03 1 515 198 47 ALA HB H 1.42 0.03 1 516 198 47 ALA C C 180.18 0.20 1 517 198 47 ALA CA C 55.52 0.20 1 518 198 47 ALA CB C 17.76 0.20 1 519 198 47 ALA N N 121.95 0.30 1 520 199 48 ASN H H 8.48 0.03 1 521 199 48 ASN HA H 4.38 0.03 1 522 199 48 ASN HB2 H 2.77 0.03 2 523 199 48 ASN HB3 H 2.87 0.03 2 524 199 48 ASN HD21 H 7.07 0.03 2 525 199 48 ASN HD22 H 7.73 0.03 2 526 199 48 ASN C C 178.14 0.20 1 527 199 48 ASN CA C 56.02 0.20 1 528 199 48 ASN CB C 38.18 0.20 1 529 199 48 ASN N N 115.82 0.30 1 530 199 48 ASN ND2 N 113.49 0.30 1 531 200 49 TYR H H 8.31 0.03 1 532 200 49 TYR HA H 4.28 0.03 1 533 200 49 TYR HB2 H 3.17 0.03 2 534 200 49 TYR HB3 H 3.27 0.03 2 535 200 49 TYR HD2 H 7.04 0.03 3 536 200 49 TYR HE2 H 6.94 0.03 3 537 200 49 TYR C C 178.25 0.20 1 538 200 49 TYR CA C 60.63 0.20 1 539 200 49 TYR CB C 38.06 0.20 1 540 200 49 TYR N N 124.37 0.30 1 541 201 50 LYS H H 8.28 0.03 1 542 201 50 LYS HA H 3.59 0.03 1 543 201 50 LYS HB3 H 1.59 0.03 2 544 201 50 LYS HG2 H 0.85 0.03 2 545 201 50 LYS HG3 H 1.12 0.03 2 546 201 50 LYS HD2 H 1.45 0.03 2 547 201 50 LYS HD3 H 1.73 0.03 2 548 201 50 LYS C C 179.15 0.20 1 549 201 50 LYS CA C 56.36 0.20 1 550 201 50 LYS CB C 30.15 0.20 1 551 201 50 LYS N N 118.76 0.30 1 552 202 51 LYS H H 7.88 0.03 1 553 202 51 LYS HA H 4.04 0.03 1 554 202 51 LYS HB3 H 1.85 0.03 2 555 202 51 LYS HG2 H 1.40 0.03 2 556 202 51 LYS HG3 H 1.54 0.03 2 557 202 51 LYS HD3 H 1.62 0.03 2 558 202 51 LYS HE3 H 2.84 0.03 2 559 202 51 LYS C C 178.00 0.20 1 560 202 51 LYS CA C 58.64 0.20 1 561 202 51 LYS CB C 32.57 0.20 1 562 202 51 LYS CG C 25.59 0.20 1 563 202 51 LYS CD C 29.51 0.20 1 564 202 51 LYS CE C 42.00 0.20 1 565 202 51 LYS N N 118.23 0.30 1 566 203 52 SER H H 7.67 0.03 1 567 203 52 SER HA H 4.31 0.03 1 568 203 52 SER HB3 H 3.93 0.03 2 569 203 52 SER C C 174.95 0.20 1 570 203 52 SER CA C 59.84 0.20 1 571 203 52 SER CB C 63.73 0.20 1 572 203 52 SER N N 114.01 0.30 1 573 204 53 ARG H H 7.54 0.03 1 574 204 53 ARG HA H 4.26 0.03 1 575 204 53 ARG HB2 H 1.59 0.03 2 576 204 53 ARG HB3 H 1.85 0.03 2 577 204 53 ARG HG3 H 1.47 0.03 2 578 204 53 ARG HD3 H 2.89 0.03 2 579 204 53 ARG C C 176.84 0.20 1 580 204 53 ARG CA C 56.04 0.20 1 581 204 53 ARG CB C 30.56 0.20 1 582 204 53 ARG CG C 26.76 0.20 1 583 204 53 ARG CD C 42.90 0.20 1 584 204 53 ARG N N 120.75 0.30 1 585 205 54 GLY H H 7.93 0.03 1 586 205 54 GLY HA3 H 3.92 0.03 2 587 205 54 GLY C C 173.93 0.20 1 588 205 54 GLY CA C 45.65 0.20 1 589 205 54 GLY N N 107.86 0.30 1 590 206 55 ASN H H 8.24 0.03 1 591 206 55 ASN HA H 4.76 0.03 1 592 206 55 ASN HB2 H 2.73 0.03 2 593 206 55 ASN HB3 H 2.79 0.03 2 594 206 55 ASN HD21 H 6.85 0.03 2 595 206 55 ASN HD22 H 7.52 0.03 2 596 206 55 ASN C C 175.74 0.20 1 597 206 55 ASN CA C 53.43 0.20 1 598 206 55 ASN CB C 39.06 0.20 1 599 206 55 ASN N N 118.29 0.30 1 600 206 55 ASN ND2 N 112.29 0.30 1 601 207 56 THR H H 8.06 0.03 1 602 207 56 THR HA H 4.27 0.03 1 603 207 56 THR HB H 4.25 0.03 1 604 207 56 THR HG2 H 1.15 0.03 1 605 207 56 THR C C 174.56 0.20 1 606 207 56 THR CA C 62.33 0.20 1 607 207 56 THR CB C 69.65 0.20 1 608 207 56 THR CG2 C 21.81 0.20 1 609 207 56 THR N N 113.06 0.30 1 610 208 57 ASP H H 8.32 0.03 1 611 208 57 ASP HA H 4.55 0.03 1 612 208 57 ASP HB3 H 2.66 0.03 2 613 208 57 ASP C C 176.10 0.20 1 614 208 57 ASP CA C 54.72 0.20 1 615 208 57 ASP CB C 41.18 0.20 1 616 208 57 ASP N N 121.27 0.30 1 617 209 58 ASN H H 8.24 0.03 1 618 209 58 ASN HA H 4.61 0.03 1 619 209 58 ASN HB2 H 2.77 0.03 2 620 209 58 ASN HB3 H 2.85 0.03 2 621 209 58 ASN C C 175.54 0.20 1 622 209 58 ASN CA C 53.93 0.20 1 623 209 58 ASN CB C 38.72 0.20 1 624 209 58 ASN N N 117.76 0.30 1 625 210 59 LYS H H 8.16 0.03 1 626 210 59 LYS HA H 4.24 0.03 1 627 210 59 LYS HB3 H 1.76 0.03 2 628 210 59 LYS HG2 H 1.38 0.03 2 629 210 59 LYS HG3 H 1.43 0.03 2 630 210 59 LYS HD3 H 1.66 0.03 2 631 210 59 LYS HE3 H 2.98 0.03 2 632 210 59 LYS C C 176.84 0.20 1 633 210 59 LYS CA C 56.83 0.20 1 634 210 59 LYS CB C 32.66 0.20 1 635 210 59 LYS CG C 25.15 0.20 1 636 210 59 LYS CD C 29.07 0.20 1 637 210 59 LYS CE C 42.09 0.20 1 638 210 59 LYS N N 120.27 0.30 1 639 211 60 GLU H H 8.34 0.03 1 640 211 60 GLU HA H 4.07 0.03 1 641 211 60 GLU HB3 H 1.96 0.03 2 642 211 60 GLU HG3 H 2.16 0.03 2 643 211 60 GLU C C 176.69 0.20 1 644 211 60 GLU CA C 57.98 0.20 1 645 211 60 GLU CB C 29.76 0.20 1 646 211 60 GLU CG C 36.52 0.20 1 647 211 60 GLU N N 120.58 0.30 1 648 212 61 TYR H H 7.83 0.03 1 649 212 61 TYR HA H 4.40 0.03 1 650 212 61 TYR HB2 H 2.92 0.03 2 651 212 61 TYR HB3 H 3.02 0.03 2 652 212 61 TYR HD1 H 7.03 0.03 3 653 212 61 TYR HE1 H 6.75 0.03 3 654 212 61 TYR C C 176.25 0.20 1 655 212 61 TYR CA C 58.84 0.20 1 656 212 61 TYR CB C 38.62 0.20 1 657 212 61 TYR N N 118.98 0.30 1 658 213 62 ALA H H 7.83 0.03 1 659 213 62 ALA HA H 4.20 0.03 1 660 213 62 ALA HB H 1.25 0.03 1 661 213 62 ALA C C 178.32 0.20 1 662 213 62 ALA CA C 53.42 0.20 1 663 213 62 ALA CB C 18.48 0.20 1 664 213 62 ALA N N 124.88 0.30 1 665 214 63 VAL H H 7.82 0.03 1 666 214 63 VAL HA H 3.40 0.03 1 667 214 63 VAL HB H 2.01 0.03 1 668 214 63 VAL HG1 H 0.92 0.03 2 669 214 63 VAL HG2 H 0.86 0.03 2 670 214 63 VAL C C 176.88 0.20 1 671 214 63 VAL CA C 66.08 0.20 1 672 214 63 VAL CB C 31.85 0.20 1 673 214 63 VAL CG1 C 23.47 0.20 2 674 214 63 VAL CG2 C 21.11 0.20 2 675 214 63 VAL N N 118.62 0.30 1 676 215 64 ASN H H 8.21 0.03 1 677 215 64 ASN HA H 4.28 0.03 1 678 215 64 ASN HB2 H 2.71 0.03 2 679 215 64 ASN HB3 H 2.78 0.03 2 680 215 64 ASN HD21 H 6.92 0.03 2 681 215 64 ASN HD22 H 7.57 0.03 2 682 215 64 ASN C C 178.16 0.20 1 683 215 64 ASN CA C 56.28 0.20 1 684 215 64 ASN CB C 37.52 0.20 1 685 215 64 ASN N N 117.09 0.30 1 686 215 64 ASN ND2 N 112.00 0.30 1 687 216 65 GLU H H 7.85 0.03 1 688 216 65 GLU HA H 4.07 0.03 1 689 216 65 GLU HB3 H 2.05 0.03 2 690 216 65 GLU HG3 H 2.25 0.03 2 691 216 65 GLU C C 179.21 0.20 1 692 216 65 GLU CA C 59.34 0.20 1 693 216 65 GLU CB C 29.71 0.20 1 694 216 65 GLU N N 119.81 0.30 1 695 217 66 VAL H H 7.85 0.03 1 696 217 66 VAL HA H 3.63 0.03 1 697 217 66 VAL HB H 2.10 0.03 1 698 217 66 VAL HG1 H 0.90 0.03 2 699 217 66 VAL HG2 H 0.70 0.03 2 700 217 66 VAL C C 177.81 0.20 1 701 217 66 VAL CA C 66.69 0.20 1 702 217 66 VAL CB C 31.65 0.20 1 703 217 66 VAL CG1 C 20.79 0.20 2 704 217 66 VAL CG2 C 22.98 0.20 2 705 217 66 VAL N N 121.09 0.30 1 706 218 67 VAL H H 8.28 0.03 1 707 218 67 VAL HA H 3.53 0.03 1 708 218 67 VAL HB H 2.18 0.03 1 709 218 67 VAL HG1 H 1.13 0.03 2 710 218 67 VAL HG2 H 1.01 0.03 2 711 218 67 VAL C C 177.36 0.20 1 712 218 67 VAL CA C 66.88 0.20 1 713 218 67 VAL CB C 31.61 0.20 1 714 218 67 VAL CG1 C 22.11 0.20 2 715 218 67 VAL CG2 C 22.23 0.20 2 716 218 67 VAL N N 116.82 0.30 1 717 219 68 ALA H H 7.60 0.03 1 718 219 68 ALA HA H 3.99 0.03 1 719 219 68 ALA HB H 1.39 0.03 1 720 219 68 ALA C C 180.56 0.20 1 721 219 68 ALA CA C 55.14 0.20 1 722 219 68 ALA CB C 18.23 0.20 1 723 219 68 ALA N N 120.58 0.30 1 724 220 69 GLY H H 7.96 0.03 1 725 220 69 GLY HA2 H 3.24 0.03 2 726 220 69 GLY HA3 H 3.56 0.03 2 727 220 69 GLY C C 175.00 0.20 1 728 220 69 GLY CA C 47.01 0.20 1 729 220 69 GLY N N 106.19 0.30 1 730 221 70 ILE H H 8.37 0.03 1 731 221 70 ILE HA H 3.36 0.03 1 732 221 70 ILE HB H 1.59 0.03 1 733 221 70 ILE HG12 H 1.88 0.03 2 734 221 70 ILE HG13 H 0.61 0.03 2 735 221 70 ILE HG2 H 0.56 0.03 1 736 221 70 ILE HD1 H 0.25 0.03 1 737 221 70 ILE C C 177.08 0.20 1 738 221 70 ILE CA C 66.48 0.20 1 739 221 70 ILE CB C 37.87 0.20 1 740 221 70 ILE CG1 C 29.59 0.20 1 741 221 70 ILE CG2 C 18.07 0.20 1 742 221 70 ILE CD1 C 13.23 0.20 1 743 221 70 ILE N N 121.04 0.30 1 744 222 71 LYS H H 7.88 0.03 1 745 222 71 LYS HA H 3.47 0.03 1 746 222 71 LYS HB2 H 1.78 0.03 2 747 222 71 LYS HB3 H 1.83 0.03 2 748 222 71 LYS HG3 H 1.39 0.03 2 749 222 71 LYS HD3 H 1.27 0.03 2 750 222 71 LYS HE3 H 2.83 0.03 2 751 222 71 LYS C C 177.32 0.20 1 752 222 71 LYS CA C 61.02 0.20 1 753 222 71 LYS CB C 32.57 0.20 1 754 222 71 LYS CG C 25.86 0.20 1 755 222 71 LYS CE C 41.91 0.20 1 756 222 71 LYS N N 118.09 0.30 1 757 223 72 GLU H H 7.91 0.03 1 758 223 72 GLU HA H 4.11 0.03 1 759 223 72 GLU HB2 H 1.83 0.03 2 760 223 72 GLU HB3 H 1.92 0.03 2 761 223 72 GLU HG2 H 2.03 0.03 2 762 223 72 GLU HG3 H 2.20 0.03 2 763 223 72 GLU C C 179.49 0.20 1 764 223 72 GLU CA C 59.50 0.20 1 765 223 72 GLU CB C 29.25 0.20 1 766 223 72 GLU N N 117.28 0.30 1 767 224 73 TYR H H 8.38 0.03 1 768 224 73 TYR HA H 3.98 0.03 1 769 224 73 TYR HB2 H 2.80 0.03 2 770 224 73 TYR HB3 H 2.94 0.03 2 771 224 73 TYR HD2 H 6.95 0.03 3 772 224 73 TYR HE2 H 6.45 0.03 3 773 224 73 TYR C C 178.13 0.20 1 774 224 73 TYR CA C 62.55 0.20 1 775 224 73 TYR CB C 37.76 0.20 1 776 224 73 TYR N N 117.00 0.30 1 777 225 74 PHE H H 8.81 0.03 1 778 225 74 PHE HA H 3.58 0.03 1 779 225 74 PHE HB2 H 2.93 0.03 2 780 225 74 PHE HB3 H 3.10 0.03 2 781 225 74 PHE HD2 H 6.94 0.03 3 782 225 74 PHE HE2 H 6.80 0.03 3 783 225 74 PHE C C 175.84 0.20 1 784 225 74 PHE CA C 63.97 0.20 1 785 225 74 PHE CB C 38.94 0.20 1 786 225 74 PHE N N 118.73 0.30 1 787 226 75 ASN H H 8.57 0.03 1 788 226 75 ASN HA H 4.56 0.03 1 789 226 75 ASN HB2 H 2.82 0.03 2 790 226 75 ASN HB3 H 2.93 0.03 2 791 226 75 ASN HD21 H 6.76 0.03 2 792 226 75 ASN HD22 H 7.40 0.03 2 793 226 75 ASN C C 179.07 0.20 1 794 226 75 ASN CA C 56.05 0.20 1 795 226 75 ASN CB C 37.88 0.20 1 796 226 75 ASN N N 114.68 0.30 1 797 226 75 ASN ND2 N 109.60 0.30 1 798 227 76 VAL H H 7.86 0.03 1 799 227 76 VAL HA H 4.23 0.03 1 800 227 76 VAL HB H 2.06 0.03 1 801 227 76 VAL HG1 H 0.98 0.03 2 802 227 76 VAL HG2 H 0.89 0.03 2 803 227 76 VAL C C 177.28 0.20 1 804 227 76 VAL CA C 63.62 0.20 1 805 227 76 VAL CB C 32.81 0.20 1 806 227 76 VAL CG1 C 22.07 0.20 2 807 227 76 VAL CG2 C 21.62 0.20 2 808 227 76 VAL N N 116.79 0.30 1 809 228 77 MET H H 8.00 0.03 1 810 228 77 MET HA H 4.43 0.03 1 811 228 77 MET HB3 H 1.76 0.03 2 812 228 77 MET HG2 H 2.30 0.03 2 813 228 77 MET HG3 H 2.55 0.03 2 814 228 77 MET HE H 1.68 0.03 1 815 228 77 MET C C 177.59 0.20 1 816 228 77 MET CA C 57.14 0.20 1 817 228 77 MET CB C 34.62 0.20 1 818 228 77 MET CG C 33.05 0.20 1 819 228 77 MET CE C 16.76 0.20 1 820 228 77 MET N N 117.92 0.30 1 821 229 78 LEU H H 7.95 0.03 1 822 229 78 LEU HA H 3.25 0.03 1 823 229 78 LEU HB2 H 0.64 0.03 2 824 229 78 LEU HB3 H 1.11 0.03 2 825 229 78 LEU HG H 0.78 0.03 1 826 229 78 LEU HD1 H 0.01 0.03 2 827 229 78 LEU HD2 H -0.01 0.03 2 828 229 78 LEU C C 178.02 0.20 1 829 229 78 LEU CA C 58.02 0.20 1 830 229 78 LEU CB C 38.17 0.20 1 831 229 78 LEU CG C 27.73 0.20 1 832 229 78 LEU CD1 C 21.83 0.20 2 833 229 78 LEU CD2 C 23.32 0.20 2 834 229 78 LEU N N 122.98 0.30 1 835 230 79 GLY H H 8.24 0.03 1 836 230 79 GLY HA2 H 2.90 0.03 2 837 230 79 GLY HA3 H 3.41 0.03 2 838 230 79 GLY C C 175.12 0.20 1 839 230 79 GLY CA C 45.14 0.20 1 840 230 79 GLY N N 99.63 0.30 1 841 231 80 THR H H 7.18 0.03 1 842 231 80 THR HA H 4.24 0.03 1 843 231 80 THR HB H 4.00 0.03 1 844 231 80 THR HG2 H 1.10 0.03 1 845 231 80 THR C C 176.37 0.20 1 846 231 80 THR CA C 62.24 0.20 1 847 231 80 THR CB C 68.36 0.20 1 848 231 80 THR CG2 C 23.56 0.20 1 849 231 80 THR N N 107.70 0.30 1 850 232 81 GLN H H 8.31 0.03 1 851 232 81 GLN HA H 5.11 0.03 1 852 232 81 GLN HB3 H 1.69 0.03 2 853 232 81 GLN HG3 H 2.33 0.03 2 854 232 81 GLN C C 177.59 0.20 1 855 232 81 GLN CA C 56.86 0.20 1 856 232 81 GLN CB C 33.48 0.20 1 857 232 81 GLN CG C 34.60 0.20 1 858 232 81 GLN N N 115.89 0.30 1 859 233 82 LEU H H 7.17 0.03 1 860 233 82 LEU HA H 4.50 0.03 1 861 233 82 LEU HB2 H 1.37 0.03 2 862 233 82 LEU HB3 H 1.79 0.03 2 863 233 82 LEU HG H 1.40 0.03 1 864 233 82 LEU HD1 H 0.56 0.03 2 865 233 82 LEU HD2 H 0.53 0.03 2 866 233 82 LEU C C 174.41 0.20 1 867 233 82 LEU CA C 54.25 0.20 1 868 233 82 LEU CB C 40.83 0.20 1 869 233 82 LEU CG C 25.93 0.20 1 870 233 82 LEU CD1 C 25.36 0.20 2 871 233 82 LEU CD2 C 21.99 0.20 2 872 233 82 LEU N N 113.89 0.30 1 873 234 83 LEU H H 7.51 0.03 1 874 234 83 LEU HA H 4.48 0.03 1 875 234 83 LEU HB2 H 1.26 0.03 2 876 234 83 LEU HB3 H 1.41 0.03 2 877 234 83 LEU HG H 1.62 0.03 1 878 234 83 LEU HD1 H 0.60 0.03 2 879 234 83 LEU HD2 H 0.23 0.03 2 880 234 83 LEU C C 179.77 0.20 1 881 234 83 LEU CA C 53.62 0.20 1 882 234 83 LEU CB C 43.21 0.20 1 883 234 83 LEU CG C 24.98 0.20 1 884 234 83 LEU CD1 C 22.94 0.20 2 885 234 83 LEU CD2 C 26.86 0.20 2 886 234 83 LEU N N 116.06 0.30 1 887 235 84 TYR H H 9.72 0.03 1 888 235 84 TYR HA H 4.73 0.03 1 889 235 84 TYR HB2 H 2.74 0.03 2 890 235 84 TYR HB3 H 2.98 0.03 2 891 235 84 TYR HD2 H 7.42 0.03 3 892 235 84 TYR HE2 H 6.85 0.03 3 893 235 84 TYR C C 178.30 0.20 1 894 235 84 TYR CA C 59.88 0.20 1 895 235 84 TYR CB C 39.20 0.20 1 896 235 84 TYR N N 125.68 0.30 1 897 236 85 LYS H H 9.13 0.03 1 898 236 85 LYS HA H 3.98 0.03 1 899 236 85 LYS HB2 H 1.92 0.03 2 900 236 85 LYS HB3 H 2.05 0.03 2 901 236 85 LYS HG3 H 1.52 0.03 2 902 236 85 LYS HD3 H 1.79 0.03 2 903 236 85 LYS HE3 H 3.04 0.03 2 904 236 85 LYS C C 180.12 0.20 1 905 236 85 LYS CA C 60.89 0.20 1 906 236 85 LYS CB C 32.56 0.20 1 907 236 85 LYS CG C 25.34 0.20 1 908 236 85 LYS CD C 29.52 0.20 1 909 236 85 LYS CE C 42.21 0.20 1 910 236 85 LYS N N 124.13 0.30 1 911 237 86 PHE H H 8.95 0.03 1 912 237 86 PHE HA H 4.45 0.03 1 913 237 86 PHE HB2 H 2.56 0.03 2 914 237 86 PHE HB3 H 3.47 0.03 2 915 237 86 PHE HD1 H 7.30 0.03 3 916 237 86 PHE HE1 H 7.04 0.03 3 917 237 86 PHE HZ H 6.80 0.03 1 918 237 86 PHE C C 175.99 0.20 1 919 237 86 PHE CA C 60.46 0.20 1 920 237 86 PHE CB C 40.58 0.20 1 921 237 86 PHE N N 116.68 0.30 1 922 238 87 GLU H H 7.98 0.03 1 923 238 87 GLU HA H 4.16 0.03 1 924 238 87 GLU HB2 H 2.70 0.03 2 925 238 87 GLU HB3 H 2.75 0.03 2 926 238 87 GLU HG3 H 2.93 0.03 2 927 238 87 GLU C C 177.68 0.20 1 928 238 87 GLU CA C 57.06 0.20 1 929 238 87 GLU CB C 33.64 0.20 1 930 238 87 GLU N N 112.17 0.30 1 931 239 88 ARG H H 8.00 0.03 1 932 239 88 ARG HA H 4.26 0.03 1 933 239 88 ARG HB2 H 2.02 0.03 2 934 239 88 ARG HB3 H 2.26 0.03 2 935 239 88 ARG HG2 H 1.59 0.03 2 936 239 88 ARG HG3 H 2.08 0.03 2 937 239 88 ARG HD2 H 3.21 0.03 2 938 239 88 ARG HD3 H 3.30 0.03 2 939 239 88 ARG C C 175.35 0.20 1 940 239 88 ARG CA C 62.51 0.20 1 941 239 88 ARG CB C 27.01 0.20 1 942 239 88 ARG CG C 28.71 0.20 1 943 239 88 ARG CD C 42.86 0.20 1 944 239 88 ARG N N 120.68 0.30 1 945 240 89 PRO HA H 4.36 0.03 1 946 240 89 PRO HB3 H 1.98 0.03 2 947 240 89 PRO HG2 H 1.52 0.03 2 948 240 89 PRO HG3 H 1.71 0.03 2 949 240 89 PRO HD2 H 3.63 0.03 2 950 240 89 PRO HD3 H 3.74 0.03 2 951 240 89 PRO C C 178.44 0.20 1 952 240 89 PRO CA C 66.38 0.20 1 953 240 89 PRO CB C 29.66 0.20 1 954 241 90 GLN H H 7.78 0.03 1 955 241 90 GLN HA H 4.21 0.03 1 956 241 90 GLN HB3 H 2.17 0.03 2 957 241 90 GLN HG3 H 2.51 0.03 2 958 241 90 GLN C C 177.29 0.20 1 959 241 90 GLN CA C 58.90 0.20 1 960 241 90 GLN CB C 28.54 0.20 1 961 241 90 GLN N N 119.97 0.30 1 962 242 91 TYR H H 7.93 0.03 1 963 242 91 TYR HA H 4.45 0.03 1 964 242 91 TYR HB2 H 3.12 0.03 2 965 242 91 TYR HB3 H 3.25 0.03 2 966 242 91 TYR HD1 H 7.17 0.03 3 967 242 91 TYR HE1 H 6.80 0.03 3 968 242 91 TYR C C 176.17 0.20 1 969 242 91 TYR CA C 60.08 0.20 1 970 242 91 TYR CB C 39.12 0.20 1 971 242 91 TYR N N 121.29 0.30 1 972 243 92 ALA H H 8.19 0.03 1 973 243 92 ALA HA H 3.68 0.03 1 974 243 92 ALA HB H 1.46 0.03 1 975 243 92 ALA C C 181.10 0.20 1 976 243 92 ALA CA C 55.12 0.20 1 977 243 92 ALA CB C 17.93 0.20 1 978 243 92 ALA N N 119.66 0.30 1 979 244 93 GLU H H 7.75 0.03 1 980 244 93 GLU HA H 3.97 0.03 1 981 244 93 GLU HB3 H 2.13 0.03 2 982 244 93 GLU HG2 H 2.18 0.03 2 983 244 93 GLU HG3 H 2.42 0.03 2 984 244 93 GLU C C 178.65 0.20 1 985 244 93 GLU CA C 59.37 0.20 1 986 244 93 GLU CB C 29.53 0.20 1 987 244 93 GLU CG C 36.66 0.20 1 988 244 93 GLU N N 118.13 0.30 1 989 245 94 ILE H H 8.07 0.03 1 990 245 94 ILE HA H 3.96 0.03 1 991 245 94 ILE HB H 2.31 0.03 1 992 245 94 ILE HG12 H 1.51 0.03 2 993 245 94 ILE HG13 H 1.41 0.03 2 994 245 94 ILE HG2 H 0.94 0.03 1 995 245 94 ILE HD1 H 0.65 0.03 1 996 245 94 ILE C C 178.59 0.20 1 997 245 94 ILE CA C 62.68 0.20 1 998 245 94 ILE CB C 36.39 0.20 1 999 245 94 ILE CG1 C 28.28 0.20 1 1000 245 94 ILE CG2 C 18.88 0.20 1 1001 245 94 ILE CD1 C 11.65 0.20 1 1002 245 94 ILE N N 121.43 0.30 1 1003 246 95 LEU H H 8.17 0.03 1 1004 246 95 LEU HA H 3.79 0.03 1 1005 246 95 LEU HB2 H 1.26 0.03 2 1006 246 95 LEU HB3 H 1.33 0.03 2 1007 246 95 LEU HG H 1.26 0.03 1 1008 246 95 LEU HD1 H 0.59 0.03 2 1009 246 95 LEU HD2 H 0.70 0.03 2 1010 246 95 LEU C C 179.37 0.20 1 1011 246 95 LEU CA C 57.35 0.20 1 1012 246 95 LEU CB C 42.14 0.20 1 1013 246 95 LEU CG C 26.63 0.20 1 1014 246 95 LEU CD1 C 24.70 0.20 2 1015 246 95 LEU CD2 C 23.53 0.20 2 1016 246 95 LEU N N 120.38 0.30 1 1017 247 96 ALA H H 7.25 0.03 1 1018 247 96 ALA HA H 3.99 0.03 1 1019 247 96 ALA HB H 1.39 0.03 1 1020 247 96 ALA C C 179.49 0.20 1 1021 247 96 ALA CA C 54.28 0.20 1 1022 247 96 ALA CB C 18.40 0.20 1 1023 247 96 ALA N N 118.38 0.30 1 1024 248 97 ASP H H 7.67 0.03 1 1025 248 97 ASP HA H 4.46 0.03 1 1026 248 97 ASP HB2 H 2.17 0.03 2 1027 248 97 ASP HB3 H 2.51 0.03 2 1028 248 97 ASP C C 176.38 0.20 1 1029 248 97 ASP CA C 55.27 0.20 1 1030 248 97 ASP CB C 41.76 0.20 1 1031 248 97 ASP N N 115.51 0.30 1 1032 249 98 HIS H H 7.96 0.03 1 1033 249 98 HIS HA H 4.91 0.03 1 1034 249 98 HIS HB2 H 2.99 0.03 2 1035 249 98 HIS HB3 H 3.06 0.03 2 1036 249 98 HIS HD2 H 7.10 0.03 1 1037 249 98 HIS C C 172.31 0.20 1 1038 249 98 HIS CA C 53.44 0.20 1 1039 249 98 HIS CB C 28.91 0.20 1 1040 249 98 HIS N N 117.05 0.30 1 1041 250 99 PRO HA H 4.42 0.03 1 1042 250 99 PRO HB2 H 1.87 0.03 2 1043 250 99 PRO HB3 H 2.25 0.03 2 1044 250 99 PRO HG2 H 1.84 0.03 2 1045 250 99 PRO HG3 H 1.94 0.03 2 1046 250 99 PRO HD2 H 3.26 0.03 2 1047 250 99 PRO HD3 H 3.43 0.03 2 1048 250 99 PRO C C 177.57 0.20 1 1049 250 99 PRO CA C 64.94 0.20 1 1050 250 99 PRO CB C 31.94 0.20 1 1051 250 99 PRO CG C 27.47 0.20 1 1052 250 99 PRO CD C 50.31 0.20 1 1053 251 100 ASP H H 8.41 0.03 1 1054 251 100 ASP HA H 4.59 0.03 1 1055 251 100 ASP HB2 H 2.64 0.03 2 1056 251 100 ASP HB3 H 2.71 0.03 2 1057 251 100 ASP C C 175.51 0.20 1 1058 251 100 ASP CA C 53.87 0.20 1 1059 251 100 ASP CB C 41.15 0.20 1 1060 251 100 ASP N N 115.67 0.30 1 1061 252 101 ALA H H 7.32 0.03 1 1062 252 101 ALA HA H 4.63 0.03 1 1063 252 101 ALA HB H 1.23 0.03 1 1064 252 101 ALA C C 175.15 0.20 1 1065 252 101 ALA CA C 50.06 0.20 1 1066 252 101 ALA CB C 19.36 0.20 1 1067 252 101 ALA N N 124.36 0.30 1 1068 253 102 PRO HA H 4.59 0.03 1 1069 253 102 PRO HB2 H 2.07 0.03 2 1070 253 102 PRO HB3 H 2.33 0.03 2 1071 253 102 PRO HG3 H 2.05 0.03 2 1072 253 102 PRO HD2 H 3.56 0.03 2 1073 253 102 PRO HD3 H 3.90 0.03 2 1074 253 102 PRO C C 178.56 0.20 1 1075 253 102 PRO CA C 61.89 0.20 1 1076 253 102 PRO CB C 31.93 0.20 1 1077 253 102 PRO CG C 27.82 0.20 1 1078 253 102 PRO CD C 50.54 0.20 1 1079 254 103 MET H H 8.86 0.03 1 1080 254 103 MET HA H 4.91 0.03 1 1081 254 103 MET HG2 H 2.85 0.03 2 1082 254 103 MET HG3 H 3.13 0.03 2 1083 254 103 MET HE H 2.19 0.03 1 1084 254 103 MET C C 180.23 0.20 1 1085 254 103 MET CA C 57.47 0.20 1 1086 254 103 MET CB C 34.00 0.20 1 1087 254 103 MET CE C 21.02 0.20 1 1088 254 103 MET N N 122.68 0.30 1 1089 255 104 SER H H 10.16 0.03 1 1090 255 104 SER HA H 3.94 0.03 1 1091 255 104 SER HB3 H 3.81 0.03 2 1092 255 104 SER C C 174.35 0.20 1 1093 255 104 SER CA C 61.50 0.20 1 1094 255 104 SER N N 118.13 0.30 1 1095 256 105 GLN H H 7.86 0.03 1 1096 256 105 GLN HA H 4.54 0.03 1 1097 256 105 GLN HB2 H 2.13 0.03 2 1098 256 105 GLN HB3 H 2.27 0.03 2 1099 256 105 GLN HG3 H 2.41 0.03 2 1100 256 105 GLN HE21 H 6.78 0.03 2 1101 256 105 GLN HE22 H 7.86 0.03 2 1102 256 105 GLN C C 176.57 0.20 1 1103 256 105 GLN CA C 55.80 0.20 1 1104 256 105 GLN CB C 30.13 0.20 1 1105 256 105 GLN CG C 34.85 0.20 1 1106 256 105 GLN N N 119.22 0.30 1 1107 256 105 GLN NE2 N 111.76 0.30 1 1108 257 106 VAL H H 7.77 0.03 1 1109 257 106 VAL HA H 3.95 0.03 1 1110 257 106 VAL HB H 2.26 0.03 1 1111 257 106 VAL HG1 H 0.80 0.03 2 1112 257 106 VAL HG2 H 0.61 0.03 2 1113 257 106 VAL C C 174.30 0.20 1 1114 257 106 VAL CA C 64.66 0.20 1 1115 257 106 VAL CB C 34.89 0.20 1 1116 257 106 VAL CG1 C 21.18 0.20 2 1117 257 106 VAL CG2 C 22.76 0.20 2 1118 257 106 VAL N N 119.07 0.30 1 1119 258 107 TYR H H 8.38 0.03 1 1120 258 107 TYR HA H 4.12 0.03 1 1121 258 107 TYR HB2 H 2.82 0.03 2 1122 258 107 TYR HB3 H 2.95 0.03 2 1123 258 107 TYR HD2 H 6.46 0.03 3 1124 258 107 TYR HE2 H 6.58 0.03 3 1125 258 107 TYR C C 174.51 0.20 1 1126 258 107 TYR CA C 59.91 0.20 1 1127 258 107 TYR CB C 41.13 0.20 1 1128 258 107 TYR N N 117.98 0.30 1 1129 259 108 GLY H H 8.60 0.03 1 1130 259 108 GLY HA2 H 3.58 0.03 2 1131 259 108 GLY HA3 H 4.37 0.03 2 1132 259 108 GLY C C 173.96 0.20 1 1133 259 108 GLY CA C 44.67 0.20 1 1134 259 108 GLY N N 106.19 0.30 1 1135 260 109 ALA H H 9.10 0.03 1 1136 260 109 ALA HA H 3.79 0.03 1 1137 260 109 ALA HB H 0.94 0.03 1 1138 260 109 ALA C C 175.66 0.20 1 1139 260 109 ALA CA C 56.83 0.20 1 1140 260 109 ALA CB C 16.75 0.20 1 1141 260 109 ALA N N 121.43 0.30 1 1142 261 110 PRO HA H 4.41 0.03 1 1143 261 110 PRO HB3 H 1.56 0.03 2 1144 261 110 PRO HG3 H 2.21 0.03 2 1145 261 110 PRO HD2 H 3.44 0.03 2 1146 261 110 PRO HD3 H 3.58 0.03 2 1147 261 110 PRO C C 179.32 0.20 1 1148 261 110 PRO CA C 67.40 0.20 1 1149 261 110 PRO CB C 31.75 0.20 1 1150 261 110 PRO CD C 50.02 0.20 1 1151 262 111 HIS H H 6.96 0.03 1 1152 262 111 HIS HA H 3.65 0.03 1 1153 262 111 HIS HB3 H 2.92 0.03 2 1154 262 111 HIS HD2 H 6.70 0.03 1 1155 262 111 HIS HE1 H 7.45 0.03 1 1156 262 111 HIS C C 176.58 0.20 1 1157 262 111 HIS CA C 63.36 0.20 1 1158 262 111 HIS CB C 30.70 0.20 1 1159 262 111 HIS N N 115.18 0.30 1 1160 263 112 LEU H H 7.79 0.03 1 1161 263 112 LEU HA H 4.07 0.03 1 1162 263 112 LEU HB2 H 1.21 0.03 2 1163 263 112 LEU HB3 H 2.26 0.03 2 1164 263 112 LEU HG H 1.79 0.03 1 1165 263 112 LEU HD1 H 1.09 0.03 2 1166 263 112 LEU HD2 H 0.85 0.03 2 1167 263 112 LEU C C 177.69 0.20 1 1168 263 112 LEU CA C 57.80 0.20 1 1169 263 112 LEU CB C 41.36 0.20 1 1170 263 112 LEU CG C 27.72 0.20 1 1171 263 112 LEU CD1 C 27.26 0.20 2 1172 263 112 LEU CD2 C 22.26 0.20 2 1173 263 112 LEU N N 119.98 0.30 1 1174 264 113 LEU H H 8.29 0.03 1 1175 264 113 LEU HA H 4.36 0.03 1 1176 264 113 LEU HB2 H 1.56 0.03 2 1177 264 113 LEU HB3 H 2.17 0.03 2 1178 264 113 LEU HG H 1.73 0.03 1 1179 264 113 LEU HD1 H 0.90 0.03 2 1180 264 113 LEU C C 179.25 0.20 1 1181 264 113 LEU CA C 58.24 0.20 1 1182 264 113 LEU CB C 41.76 0.20 1 1183 264 113 LEU CD1 C 24.34 0.20 2 1184 264 113 LEU N N 117.48 0.30 1 1185 265 114 ARG H H 7.69 0.03 1 1186 265 114 ARG HA H 3.71 0.03 1 1187 265 114 ARG HB2 H 1.05 0.03 2 1188 265 114 ARG HB3 H 1.78 0.03 2 1189 265 114 ARG HG3 H 1.66 0.03 2 1190 265 114 ARG C C 178.65 0.20 1 1191 265 114 ARG CA C 60.16 0.20 1 1192 265 114 ARG CB C 31.17 0.20 1 1193 265 114 ARG N N 115.37 0.30 1 1194 266 115 LEU H H 7.43 0.03 1 1195 266 115 LEU HA H 3.88 0.03 1 1196 266 115 LEU HB2 H 1.41 0.03 2 1197 266 115 LEU HB3 H 2.45 0.03 2 1198 266 115 LEU HD1 H 0.80 0.03 2 1199 266 115 LEU HD2 H 0.60 0.03 2 1200 266 115 LEU C C 178.55 0.20 1 1201 266 115 LEU CA C 58.41 0.20 1 1202 266 115 LEU CB C 41.20 0.20 1 1203 266 115 LEU CD1 C 25.34 0.20 2 1204 266 115 LEU CD2 C 26.72 0.20 2 1205 266 115 LEU N N 116.45 0.30 1 1206 267 116 PHE HA H 3.94 0.03 1 1207 267 116 PHE HB3 H 3.13 0.03 2 1208 267 116 PHE HD1 H 7.52 0.03 3 1209 267 116 PHE HE1 H 7.25 0.03 3 1210 267 116 PHE HZ H 7.09 0.03 1 1211 267 116 PHE C C 176.03 0.20 1 1212 267 116 PHE CA C 61.70 0.20 1 1213 267 116 PHE CB C 38.59 0.20 1 1214 268 117 VAL H H 7.92 0.03 1 1215 268 117 VAL HA H 3.97 0.03 1 1216 268 117 VAL HB H 2.69 0.03 1 1217 268 117 VAL HG1 H 1.18 0.03 2 1218 268 117 VAL HG2 H 1.06 0.03 2 1219 268 117 VAL C C 176.52 0.20 1 1220 268 117 VAL CA C 64.64 0.20 1 1221 268 117 VAL CB C 32.10 0.20 1 1222 268 117 VAL CG1 C 23.93 0.20 2 1223 268 117 VAL CG2 C 21.98 0.20 2 1224 268 117 VAL N N 119.19 0.30 1 1225 269 118 ARG H H 6.97 0.03 1 1226 269 118 ARG HA H 4.67 0.03 1 1227 269 118 ARG HB3 H 1.48 0.03 2 1228 269 118 ARG HG2 H 1.69 0.03 2 1229 269 118 ARG HG3 H 1.75 0.03 2 1230 269 118 ARG HD2 H 3.29 0.03 2 1231 269 118 ARG HD3 H 3.34 0.03 2 1232 269 118 ARG C C 177.63 0.20 1 1233 269 118 ARG CA C 55.01 0.20 1 1234 269 118 ARG CB C 32.46 0.20 1 1235 269 118 ARG CD C 42.06 0.20 1 1236 269 118 ARG N N 115.41 0.30 1 1237 270 119 ILE H H 8.27 0.03 1 1238 270 119 ILE HA H 3.58 0.03 1 1239 270 119 ILE HB H 1.59 0.03 1 1240 270 119 ILE HG12 H 1.03 0.03 2 1241 270 119 ILE HG13 H 0.81 0.03 2 1242 270 119 ILE HG2 H 0.72 0.03 1 1243 270 119 ILE HD1 H 0.23 0.03 1 1244 270 119 ILE C C 175.84 0.20 1 1245 270 119 ILE CA C 64.92 0.20 1 1246 270 119 ILE CB C 37.37 0.20 1 1247 270 119 ILE CG1 C 29.42 0.20 1 1248 270 119 ILE CG2 C 17.49 0.20 1 1249 270 119 ILE CD1 C 12.82 0.20 1 1250 270 119 ILE N N 119.21 0.30 1 1251 271 120 GLY H H 8.92 0.03 1 1252 271 120 GLY HA2 H 3.43 0.03 2 1253 271 120 GLY HA3 H 4.04 0.03 2 1254 271 120 GLY C C 176.00 0.20 1 1255 271 120 GLY CA C 47.49 0.20 1 1256 271 120 GLY N N 111.29 0.30 1 1257 272 121 ALA H H 7.73 0.03 1 1258 272 121 ALA HA H 4.16 0.03 1 1259 272 121 ALA HB H 1.48 0.03 1 1260 272 121 ALA C C 179.66 0.20 1 1261 272 121 ALA CA C 54.50 0.20 1 1262 272 121 ALA CB C 18.43 0.20 1 1263 272 121 ALA N N 122.63 0.30 1 1264 273 122 MET H H 7.18 0.03 1 1265 273 122 MET HA H 4.46 0.03 1 1266 273 122 MET HB2 H 1.60 0.03 2 1267 273 122 MET HB3 H 1.89 0.03 2 1268 273 122 MET HG2 H 2.36 0.03 2 1269 273 122 MET HG3 H 2.60 0.03 2 1270 273 122 MET HE H 1.90 0.03 1 1271 273 122 MET C C 179.83 0.20 1 1272 273 122 MET CA C 56.34 0.20 1 1273 273 122 MET CB C 32.45 0.20 1 1274 273 122 MET CG C 32.23 0.20 1 1275 273 122 MET CE C 18.40 0.20 1 1276 273 122 MET N N 114.38 0.30 1 1277 274 123 LEU H H 8.15 0.03 1 1278 274 123 LEU HA H 4.10 0.03 1 1279 274 123 LEU HB3 H 1.75 0.03 2 1280 274 123 LEU HG H 1.66 0.03 1 1281 274 123 LEU HD1 H 0.64 0.03 2 1282 274 123 LEU HD2 H 0.53 0.03 2 1283 274 123 LEU C C 178.03 0.20 1 1284 274 123 LEU CA C 56.91 0.20 1 1285 274 123 LEU CB C 41.71 0.20 1 1286 274 123 LEU CG C 27.22 0.20 1 1287 274 123 LEU CD1 C 22.59 0.20 2 1288 274 123 LEU CD2 C 25.76 0.20 2 1289 275 124 ALA H H 7.19 0.03 1 1290 275 124 ALA HA H 4.03 0.03 1 1291 275 124 ALA HB H 1.19 0.03 1 1292 275 124 ALA C C 177.80 0.20 1 1293 275 124 ALA CA C 54.03 0.20 1 1294 275 124 ALA CB C 18.89 0.20 1 1295 275 124 ALA N N 118.88 0.30 1 1296 276 125 TYR H H 7.36 0.03 1 1297 276 125 TYR HA H 4.44 0.03 1 1298 276 125 TYR HB2 H 2.89 0.03 2 1299 276 125 TYR HB3 H 3.41 0.03 2 1300 276 125 TYR HD1 H 7.31 0.03 3 1301 276 125 TYR HE1 H 6.85 0.03 3 1302 276 125 TYR C C 175.83 0.20 1 1303 276 125 TYR CA C 58.64 0.20 1 1304 276 125 TYR CB C 38.92 0.20 1 1305 276 125 TYR N N 113.84 0.30 1 1306 277 126 THR H H 7.54 0.03 1 1307 277 126 THR HA H 4.09 0.03 1 1308 277 126 THR HB H 4.19 0.03 1 1309 277 126 THR HG2 H 1.27 0.03 1 1310 277 126 THR C C 170.91 0.20 1 1311 277 126 THR CA C 59.83 0.20 1 1312 277 126 THR CB C 70.09 0.20 1 1313 277 126 THR CG2 C 21.56 0.20 1 1314 277 126 THR N N 114.39 0.30 1 1315 278 127 PRO HA H 4.62 0.03 1 1316 278 127 PRO HB2 H 2.04 0.03 2 1317 278 127 PRO HB3 H 2.11 0.03 2 1318 278 127 PRO HD3 H 3.71 0.03 2 1319 278 127 PRO C C 176.03 0.20 1 1320 278 127 PRO CA C 63.00 0.20 1 1321 278 127 PRO CB C 30.51 0.20 1 1322 279 128 LEU H H 7.64 0.03 1 1323 279 128 LEU HA H 4.36 0.03 1 1324 279 128 LEU HB2 H 1.39 0.03 2 1325 279 128 LEU HB3 H 1.57 0.03 2 1326 279 128 LEU HG H 1.61 0.03 1 1327 279 128 LEU HD1 H 0.79 0.03 2 1328 279 128 LEU HD2 H 0.75 0.03 2 1329 279 128 LEU C C 176.61 0.20 1 1330 279 128 LEU CA C 54.93 0.20 1 1331 279 128 LEU CB C 44.60 0.20 1 1332 279 128 LEU CG C 27.39 0.20 1 1333 279 128 LEU CD1 C 23.79 0.20 2 1334 279 128 LEU CD2 C 26.17 0.20 2 1335 279 128 LEU N N 122.89 0.30 1 1336 280 129 ASP H H 8.08 0.03 1 1337 280 129 ASP HA H 4.55 0.03 1 1338 280 129 ASP HB2 H 2.71 0.03 2 1339 280 129 ASP HB3 H 3.01 0.03 2 1340 280 129 ASP C C 175.52 0.20 1 1341 280 129 ASP CA C 53.08 0.20 1 1342 280 129 ASP CB C 41.73 0.20 1 1343 280 129 ASP N N 119.84 0.30 1 1344 281 130 GLU H H 8.66 0.03 1 1345 281 130 GLU HA H 3.89 0.03 1 1346 281 130 GLU HB3 H 2.04 0.03 2 1347 281 130 GLU HG2 H 2.28 0.03 2 1348 281 130 GLU HG3 H 2.33 0.03 2 1349 281 130 GLU C C 179.19 0.20 1 1350 281 130 GLU CA C 60.42 0.20 1 1351 281 130 GLU CB C 29.82 0.20 1 1352 281 130 GLU CG C 36.49 0.20 1 1353 281 130 GLU N N 119.03 0.30 1 1354 282 131 LYS H H 8.21 0.03 1 1355 282 131 LYS HA H 4.11 0.03 1 1356 282 131 LYS HB2 H 1.82 0.03 2 1357 282 131 LYS HB3 H 1.91 0.03 2 1358 282 131 LYS HG2 H 1.41 0.03 2 1359 282 131 LYS HG3 H 1.52 0.03 2 1360 282 131 LYS HD3 H 1.68 0.03 2 1361 282 131 LYS HE3 H 2.97 0.03 2 1362 282 131 LYS C C 179.58 0.20 1 1363 282 131 LYS CA C 59.41 0.20 1 1364 282 131 LYS CB C 32.06 0.20 1 1365 282 131 LYS CG C 25.36 0.20 1 1366 282 131 LYS CD C 29.21 0.20 1 1367 282 131 LYS CE C 42.01 0.20 1 1368 282 131 LYS N N 119.53 0.30 1 1369 283 132 SER H H 8.33 0.03 1 1370 283 132 SER HA H 4.19 0.03 1 1371 283 132 SER HB2 H 3.81 0.03 2 1372 283 132 SER HB3 H 3.92 0.03 2 1373 283 132 SER C C 176.23 0.20 1 1374 283 132 SER CA C 62.34 0.20 1 1375 283 132 SER CB C 62.81 0.20 1 1376 283 132 SER N N 118.26 0.30 1 1377 284 133 LEU H H 8.61 0.03 1 1378 284 133 LEU HA H 3.95 0.03 1 1379 284 133 LEU HB2 H 1.43 0.03 2 1380 284 133 LEU HB3 H 1.71 0.03 2 1381 284 133 LEU HG H 1.54 0.03 1 1382 284 133 LEU HD1 H 0.85 0.03 2 1383 284 133 LEU HD2 H 0.83 0.03 2 1384 284 133 LEU C C 177.60 0.20 1 1385 284 133 LEU CA C 58.04 0.20 1 1386 284 133 LEU CB C 41.56 0.20 1 1387 284 133 LEU CG C 27.24 0.20 1 1388 284 133 LEU CD1 C 25.70 0.20 2 1389 284 133 LEU CD2 C 23.86 0.20 2 1390 284 133 LEU N N 122.82 0.30 1 1391 285 134 ALA H H 7.74 0.03 1 1392 285 134 ALA HA H 4.00 0.03 1 1393 285 134 ALA HB H 1.48 0.03 1 1394 285 134 ALA C C 180.62 0.20 1 1395 285 134 ALA CA C 55.38 0.20 1 1396 285 134 ALA CB C 17.94 0.20 1 1397 285 134 ALA N N 119.58 0.30 1 1398 286 135 LEU H H 7.55 0.03 1 1399 286 135 LEU HA H 4.06 0.03 1 1400 286 135 LEU HB3 H 1.74 0.03 2 1401 286 135 LEU HG H 1.67 0.03 1 1402 286 135 LEU HD1 H 0.93 0.03 2 1403 286 135 LEU HD2 H 0.92 0.03 2 1404 286 135 LEU C C 178.47 0.20 1 1405 286 135 LEU CA C 58.07 0.20 1 1406 286 135 LEU CB C 42.20 0.20 1 1407 286 135 LEU CG C 27.14 0.20 1 1408 286 135 LEU CD1 C 24.81 0.20 2 1409 286 135 LEU CD2 C 24.85 0.20 2 1410 286 135 LEU N N 118.86 0.30 1 1411 287 136 LEU H H 8.05 0.03 1 1412 287 136 LEU HA H 3.98 0.03 1 1413 287 136 LEU C C 179.16 0.20 1 1414 287 136 LEU CA C 58.49 0.20 1 1415 287 136 LEU CB C 41.58 0.20 1 1416 287 136 LEU N N 119.79 0.30 1 1417 288 137 LEU H H 8.78 0.03 1 1418 288 137 LEU HA H 3.74 0.03 1 1419 288 137 LEU HB2 H 1.47 0.03 2 1420 288 137 LEU HB3 H 1.84 0.03 2 1421 288 137 LEU HG H 1.69 0.03 1 1422 288 137 LEU HD1 H 0.80 0.03 2 1423 288 137 LEU HD2 H 0.68 0.03 2 1424 288 137 LEU C C 179.30 0.20 1 1425 288 137 LEU CA C 58.41 0.20 1 1426 288 137 LEU CB C 41.31 0.20 1 1427 288 137 LEU CG C 27.33 0.20 1 1428 288 137 LEU CD1 C 25.36 0.20 2 1429 288 137 LEU CD2 C 23.44 0.20 2 1430 288 137 LEU N N 117.85 0.30 1 1431 289 138 ASN H H 7.96 0.03 1 1432 289 138 ASN HA H 4.53 0.03 1 1433 289 138 ASN HB2 H 2.88 0.03 2 1434 289 138 ASN HB3 H 2.98 0.03 2 1435 289 138 ASN HD21 H 6.83 0.03 2 1436 289 138 ASN HD22 H 7.11 0.03 2 1437 289 138 ASN C C 178.96 0.20 1 1438 289 138 ASN CA C 56.85 0.20 1 1439 289 138 ASN CB C 38.34 0.20 1 1440 289 138 ASN N N 118.41 0.30 1 1441 289 138 ASN ND2 N 111.30 0.30 1 1442 290 139 TYR H H 8.16 0.03 1 1443 290 139 TYR HA H 4.48 0.03 1 1444 290 139 TYR HB2 H 3.14 0.03 2 1445 290 139 TYR HB3 H 3.25 0.03 2 1446 290 139 TYR HD2 H 7.28 0.03 3 1447 290 139 TYR HE2 H 6.69 0.03 3 1448 290 139 TYR C C 179.00 0.20 1 1449 290 139 TYR CA C 61.82 0.20 1 1450 290 139 TYR CB C 38.81 0.20 1 1451 290 139 TYR N N 119.75 0.30 1 1452 291 140 LEU H H 9.00 0.03 1 1453 291 140 LEU HA H 4.13 0.03 1 1454 291 140 LEU HB2 H 1.33 0.03 2 1455 291 140 LEU HB3 H 1.97 0.03 2 1456 291 140 LEU HG H 2.09 0.03 1 1457 291 140 LEU HD1 H 0.81 0.03 2 1458 291 140 LEU HD2 H 0.71 0.03 2 1459 291 140 LEU C C 179.32 0.20 1 1460 291 140 LEU CA C 58.66 0.20 1 1461 291 140 LEU CB C 40.81 0.20 1 1462 291 140 LEU CG C 26.19 0.20 1 1463 291 140 LEU CD1 C 22.15 0.20 2 1464 291 140 LEU CD2 C 26.20 0.20 2 1465 291 140 LEU N N 119.49 0.30 1 1466 292 141 HIS H H 8.60 0.03 1 1467 292 141 HIS HA H 4.34 0.03 1 1468 292 141 HIS HB3 H 3.27 0.03 2 1469 292 141 HIS HD2 H 6.99 0.03 1 1470 292 141 HIS HE1 H 7.67 0.03 1 1471 292 141 HIS C C 177.94 0.20 1 1472 292 141 HIS CA C 60.61 0.20 1 1473 292 141 HIS CB C 28.51 0.20 1 1474 292 141 HIS N N 116.93 0.30 1 1475 293 142 ASP H H 8.23 0.03 1 1476 293 142 ASP HA H 4.43 0.03 1 1477 293 142 ASP HB2 H 2.87 0.03 2 1478 293 142 ASP HB3 H 3.15 0.03 2 1479 293 142 ASP C C 178.46 0.20 1 1480 293 142 ASP CA C 58.50 0.20 1 1481 293 142 ASP CB C 42.63 0.20 1 1482 293 142 ASP N N 122.09 0.30 1 1483 294 143 PHE H H 8.48 0.03 1 1484 294 143 PHE HA H 3.89 0.03 1 1485 294 143 PHE HB2 H 2.65 0.03 2 1486 294 143 PHE HB3 H 2.94 0.03 2 1487 294 143 PHE HD1 H 6.07 0.03 3 1488 294 143 PHE HE1 H 6.90 0.03 3 1489 294 143 PHE HZ H 6.99 0.03 1 1490 294 143 PHE C C 177.48 0.20 1 1491 294 143 PHE CA C 61.05 0.20 1 1492 294 143 PHE CB C 38.17 0.20 1 1493 294 143 PHE N N 121.33 0.30 1 1494 295 144 LEU H H 8.09 0.03 1 1495 295 144 LEU HA H 3.40 0.03 1 1496 295 144 LEU HB3 H 1.77 0.03 2 1497 295 144 LEU HG H 1.06 0.03 1 1498 295 144 LEU HD1 H 0.71 0.03 2 1499 295 144 LEU HD2 H 0.15 0.03 2 1500 295 144 LEU C C 178.51 0.20 1 1501 295 144 LEU CA C 58.31 0.20 1 1502 295 144 LEU CB C 41.81 0.20 1 1503 295 144 LEU CG C 27.54 0.20 1 1504 295 144 LEU CD1 C 26.44 0.20 2 1505 295 144 LEU CD2 C 23.20 0.20 2 1506 295 144 LEU N N 118.98 0.30 1 1507 296 145 LYS H H 8.08 0.03 1 1508 296 145 LYS HA H 3.88 0.03 1 1509 296 145 LYS HB3 H 2.01 0.03 2 1510 296 145 LYS HG2 H 1.37 0.03 2 1511 296 145 LYS HG3 H 1.57 0.03 2 1512 296 145 LYS HD3 H 1.72 0.03 2 1513 296 145 LYS HE3 H 2.96 0.03 2 1514 296 145 LYS C C 178.81 0.20 1 1515 296 145 LYS CA C 59.80 0.20 1 1516 296 145 LYS CB C 31.94 0.20 1 1517 296 145 LYS CG C 25.51 0.20 1 1518 296 145 LYS CD C 29.59 0.20 1 1519 296 145 LYS CE C 41.96 0.20 1 1520 296 145 LYS N N 119.83 0.30 1 1521 297 146 TYR H H 7.68 0.03 1 1522 297 146 TYR HA H 3.89 0.03 1 1523 297 146 TYR HB2 H 3.12 0.03 2 1524 297 146 TYR HB3 H 3.25 0.03 2 1525 297 146 TYR HD1 H 6.29 0.03 3 1526 297 146 TYR HE1 H 6.40 0.03 3 1527 297 146 TYR C C 178.21 0.20 1 1528 297 146 TYR CA C 62.01 0.20 1 1529 297 146 TYR CB C 37.82 0.20 1 1530 297 146 TYR N N 122.28 0.30 1 1531 298 147 LEU H H 7.94 0.03 1 1532 298 147 LEU HA H 3.42 0.03 1 1533 298 147 LEU HB2 H 1.14 0.03 2 1534 298 147 LEU HB3 H 1.81 0.03 2 1535 298 147 LEU HG H 1.16 0.03 1 1536 298 147 LEU HD1 H 0.61 0.03 2 1537 298 147 LEU HD2 H 0.56 0.03 2 1538 298 147 LEU C C 178.25 0.20 1 1539 298 147 LEU CA C 57.80 0.20 1 1540 298 147 LEU CB C 41.71 0.20 1 1541 298 147 LEU CG C 25.60 0.20 1 1542 298 147 LEU CD1 C 26.08 0.20 2 1543 298 147 LEU CD2 C 23.09 0.20 2 1544 298 147 LEU N N 120.38 0.30 1 1545 299 148 ALA H H 8.16 0.03 1 1546 299 148 ALA HA H 3.75 0.03 1 1547 299 148 ALA HB H 1.39 0.03 1 1548 299 148 ALA C C 180.70 0.20 1 1549 299 148 ALA CA C 55.39 0.20 1 1550 299 148 ALA CB C 18.41 0.20 1 1551 299 148 ALA N N 118.58 0.30 1 1552 300 149 LYS H H 8.16 0.03 1 1553 300 149 LYS HA H 4.00 0.03 1 1554 300 149 LYS HB2 H 1.67 0.03 2 1555 300 149 LYS HB3 H 1.77 0.03 2 1556 300 149 LYS HG2 H 1.38 0.03 2 1557 300 149 LYS HG3 H 1.44 0.03 2 1558 300 149 LYS HD3 H 1.60 0.03 2 1559 300 149 LYS HE3 H 2.95 0.03 2 1560 300 149 LYS C C 177.75 0.20 1 1561 300 149 LYS CA C 58.44 0.20 1 1562 300 149 LYS CB C 32.30 0.20 1 1563 300 149 LYS CG C 24.66 0.20 1 1564 300 149 LYS CD C 29.14 0.20 1 1565 300 149 LYS CE C 41.98 0.20 1 1566 300 149 LYS N N 118.99 0.30 1 1567 301 150 ASN H H 7.11 0.03 1 1568 301 150 ASN HA H 4.78 0.03 1 1569 301 150 ASN HB2 H 1.78 0.03 2 1570 301 150 ASN HB3 H 2.62 0.03 2 1571 301 150 ASN HD21 H 5.95 0.03 2 1572 301 150 ASN HD22 H 6.21 0.03 2 1573 301 150 ASN C C 175.39 0.20 1 1574 301 150 ASN CA C 53.20 0.20 1 1575 301 150 ASN CB C 39.22 0.20 1 1576 301 150 ASN N N 115.03 0.30 1 1577 301 150 ASN ND2 N 115.43 0.30 1 1578 302 151 SER H H 7.37 0.03 1 1579 302 151 SER HA H 3.92 0.03 1 1580 302 151 SER HB3 H 4.20 0.03 2 1581 302 151 SER C C 175.61 0.20 1 1582 302 151 SER CA C 62.43 0.20 1 1583 302 151 SER CB C 63.19 0.20 1 1584 302 151 SER N N 117.18 0.30 1 1585 303 152 ALA H H 8.42 0.03 1 1586 303 152 ALA HA H 4.33 0.03 1 1587 303 152 ALA HB H 1.46 0.03 1 1588 303 152 ALA C C 179.51 0.20 1 1589 303 152 ALA CA C 54.45 0.20 1 1590 303 152 ALA CB C 18.66 0.20 1 1591 303 152 ALA N N 121.04 0.30 1 1592 304 153 THR H H 7.36 0.03 1 1593 304 153 THR HA H 4.28 0.03 1 1594 304 153 THR HB H 4.12 0.03 1 1595 304 153 THR HG2 H 1.11 0.03 1 1596 304 153 THR C C 175.35 0.20 1 1597 304 153 THR CA C 62.38 0.20 1 1598 304 153 THR CB C 69.39 0.20 1 1599 304 153 THR CG2 C 22.00 0.20 1 1600 304 153 THR N N 106.30 0.30 1 1601 305 154 LEU H H 7.22 0.03 1 1602 305 154 LEU HA H 4.07 0.03 1 1603 305 154 LEU HB2 H 0.23 0.03 2 1604 305 154 LEU HB3 H 0.96 0.03 2 1605 305 154 LEU HG H 1.47 0.03 1 1606 305 154 LEU HD1 H 0.64 0.03 2 1607 305 154 LEU HD2 H 0.52 0.03 2 1608 305 154 LEU C C 176.14 0.20 1 1609 305 154 LEU CA C 55.74 0.20 1 1610 305 154 LEU CB C 44.74 0.20 1 1611 305 154 LEU CG C 26.84 0.20 1 1612 305 154 LEU CD1 C 22.68 0.20 2 1613 305 154 LEU CD2 C 26.77 0.20 2 1614 305 154 LEU N N 119.53 0.30 1 1615 306 155 PHE H H 7.47 0.03 1 1616 306 155 PHE HA H 4.25 0.03 1 1617 306 155 PHE HB2 H 1.26 0.03 2 1618 306 155 PHE HB3 H 1.74 0.03 2 1619 306 155 PHE HD2 H 6.78 0.03 3 1620 306 155 PHE HE2 H 6.84 0.03 3 1621 306 155 PHE C C 173.79 0.20 1 1622 306 155 PHE CA C 56.35 0.20 1 1623 306 155 PHE CB C 38.29 0.20 1 1624 306 155 PHE N N 117.48 0.30 1 1625 307 156 SER H H 8.91 0.03 1 1626 307 156 SER HA H 4.62 0.03 1 1627 307 156 SER HB2 H 3.54 0.03 2 1628 307 156 SER HB3 H 3.78 0.03 2 1629 307 156 SER C C 175.56 0.20 1 1630 307 156 SER CA C 57.07 0.20 1 1631 307 156 SER CB C 64.98 0.20 1 1632 307 156 SER N N 116.09 0.30 1 1633 308 157 ALA H H 9.44 0.03 1 1634 308 157 ALA HA H 4.42 0.03 1 1635 308 157 ALA HB H 1.54 0.03 1 1636 308 157 ALA C C 179.26 0.20 1 1637 308 157 ALA CA C 54.75 0.20 1 1638 308 157 ALA CB C 18.31 0.20 1 1639 308 157 ALA N N 130.78 0.30 1 1640 309 158 SER H H 8.45 0.03 1 1641 309 158 SER HA H 4.47 0.03 1 1642 309 158 SER HB3 H 3.93 0.03 2 1643 309 158 SER C C 174.66 0.20 1 1644 309 158 SER CA C 60.43 0.20 1 1645 309 158 SER CB C 62.99 0.20 1 1646 309 158 SER N N 112.53 0.30 1 1647 310 159 ASP H H 7.51 0.03 1 1648 310 159 ASP HA H 4.54 0.03 1 1649 310 159 ASP HB2 H 2.49 0.03 2 1650 310 159 ASP HB3 H 2.70 0.03 2 1651 310 159 ASP C C 172.05 0.20 1 1652 310 159 ASP CA C 55.54 0.20 1 1653 310 159 ASP CB C 42.35 0.20 1 1654 310 159 ASP N N 120.18 0.30 1 1655 311 160 TYR H H 7.60 0.03 1 1656 311 160 TYR HA H 5.14 0.03 1 1657 311 160 TYR HB2 H 2.75 0.03 2 1658 311 160 TYR HB3 H 3.03 0.03 2 1659 311 160 TYR HD2 H 7.11 0.03 3 1660 311 160 TYR HE2 H 7.15 0.03 3 1661 311 160 TYR C C 174.94 0.20 1 1662 311 160 TYR CA C 56.66 0.20 1 1663 311 160 TYR CB C 40.59 0.20 1 1664 311 160 TYR N N 118.49 0.30 1 1665 312 161 GLU H H 8.98 0.03 1 1666 312 161 GLU HA H 4.70 0.03 1 1667 312 161 GLU HB2 H 1.87 0.03 2 1668 312 161 GLU HB3 H 1.94 0.03 2 1669 312 161 GLU HG3 H 2.22 0.03 2 1670 312 161 GLU C C 175.94 0.20 1 1671 312 161 GLU CA C 54.49 0.20 1 1672 312 161 GLU CB C 33.97 0.20 1 1673 312 161 GLU CG C 36.12 0.20 1 1674 312 161 GLU N N 117.91 0.30 1 1675 313 162 VAL H H 8.44 0.03 1 1676 313 162 VAL HA H 3.81 0.03 1 1677 313 162 VAL HB H 2.03 0.03 1 1678 313 162 VAL HG1 H 1.06 0.03 2 1679 313 162 VAL HG2 H 1.02 0.03 2 1680 313 162 VAL C C 175.97 0.20 1 1681 313 162 VAL CA C 64.01 0.20 1 1682 313 162 VAL CB C 32.56 0.20 1 1683 313 162 VAL CG1 C 21.79 0.20 2 1684 313 162 VAL CG2 C 21.23 0.20 2 1685 313 162 VAL N N 122.23 0.30 1 1686 314 163 ALA H H 8.37 0.03 1 1687 314 163 ALA HA H 4.50 0.03 1 1688 314 163 ALA HB H 1.29 0.03 1 1689 314 163 ALA C C 175.34 0.20 1 1690 314 163 ALA CA C 50.48 0.20 1 1691 314 163 ALA CB C 18.00 0.20 1 1692 314 163 ALA N N 130.58 0.30 1 1693 315 164 PRO HA H 4.86 0.03 1 1694 315 164 PRO HB2 H 2.29 0.03 2 1695 315 164 PRO HB3 H 2.48 0.03 2 1696 315 164 PRO HG2 H 2.03 0.03 2 1697 315 164 PRO HG3 H 2.22 0.03 2 1698 315 164 PRO HD2 H 3.44 0.03 2 1699 315 164 PRO HD3 H 3.90 0.03 2 1700 315 164 PRO C C 175.54 0.20 1 1701 315 164 PRO CA C 62.02 0.20 1 1702 315 164 PRO CB C 31.05 0.20 1 1703 315 164 PRO CG C 27.87 0.20 1 1704 315 164 PRO CD C 50.47 0.20 1 1705 316 165 PRO HA H 4.24 0.03 1 1706 316 165 PRO HB2 H 1.94 0.03 2 1707 316 165 PRO HB3 H 2.39 0.03 2 1708 316 165 PRO HG2 H 2.07 0.03 2 1709 316 165 PRO HG3 H 2.20 0.03 2 1710 316 165 PRO HD2 H 3.82 0.03 2 1711 316 165 PRO HD3 H 3.93 0.03 2 1712 316 165 PRO C C 179.31 0.20 1 1713 316 165 PRO CA C 66.03 0.20 1 1714 316 165 PRO CB C 32.12 0.20 1 1715 316 165 PRO CG C 28.00 0.20 1 1716 316 165 PRO CD C 50.52 0.20 1 1717 317 166 GLU H H 9.36 0.03 1 1718 317 166 GLU HA H 4.04 0.03 1 1719 317 166 GLU HB3 H 2.03 0.03 2 1720 317 166 GLU HG2 H 2.27 0.03 2 1721 317 166 GLU HG3 H 2.33 0.03 2 1722 317 166 GLU C C 178.08 0.20 1 1723 317 166 GLU CA C 59.17 0.20 1 1724 317 166 GLU CB C 28.72 0.20 1 1725 317 166 GLU CG C 36.59 0.20 1 1726 317 166 GLU N N 115.67 0.30 1 1727 318 167 TYR H H 8.04 0.03 1 1728 318 167 TYR HA H 3.90 0.03 1 1729 318 167 TYR HB3 H 3.04 0.03 2 1730 318 167 TYR HD2 H 6.62 0.03 3 1731 318 167 TYR HE2 H 5.88 0.03 3 1732 318 167 TYR C C 177.51 0.20 1 1733 318 167 TYR CA C 61.44 0.20 1 1734 318 167 TYR CB C 39.55 0.20 1 1735 318 167 TYR N N 121.48 0.30 1 1736 319 168 HIS H H 7.64 0.03 1 1737 319 168 HIS HA H 4.21 0.03 1 1738 319 168 HIS HB3 H 3.28 0.03 2 1739 319 168 HIS HD2 H 7.23 0.03 1 1740 319 168 HIS HE1 H 7.75 0.03 1 1741 319 168 HIS C C 177.45 0.20 1 1742 319 168 HIS CA C 59.58 0.20 1 1743 319 168 HIS CB C 31.20 0.20 1 1744 319 168 HIS N N 115.79 0.30 1 1745 320 169 ARG H H 7.48 0.03 1 1746 320 169 ARG HA H 4.17 0.03 1 1747 320 169 ARG HB2 H 1.81 0.03 2 1748 320 169 ARG HB3 H 1.89 0.03 2 1749 320 169 ARG HG3 H 1.66 0.03 2 1750 320 169 ARG HD3 H 3.19 0.03 2 1751 320 169 ARG C C 177.11 0.20 1 1752 320 169 ARG CA C 57.75 0.20 1 1753 320 169 ARG CB C 30.37 0.20 1 1754 320 169 ARG CG C 27.58 0.20 1 1755 320 169 ARG CD C 43.47 0.20 1 1756 320 169 ARG N N 115.69 0.30 1 1757 321 170 LYS H H 7.34 0.03 1 1758 321 170 LYS HA H 4.20 0.03 1 1759 321 170 LYS HB2 H 1.54 0.03 2 1760 321 170 LYS HB3 H 1.62 0.03 2 1761 321 170 LYS HG3 H 1.34 0.03 2 1762 321 170 LYS HD2 H 1.45 0.03 2 1763 321 170 LYS HD3 H 1.57 0.03 2 1764 321 170 LYS HE2 H 2.77 0.03 2 1765 321 170 LYS HE3 H 2.82 0.03 2 1766 321 170 LYS C C 176.34 0.20 1 1767 321 170 LYS CA C 56.88 0.20 1 1768 321 170 LYS CB C 33.22 0.20 1 1769 321 170 LYS CG C 25.19 0.20 1 1770 321 170 LYS CD C 29.56 0.20 1 1771 321 170 LYS CE C 42.00 0.20 1 1772 321 170 LYS N N 117.07 0.30 1 1773 322 171 ALA H H 7.50 0.03 1 1774 322 171 ALA HA H 4.30 0.03 1 1775 322 171 ALA HB H 1.25 0.03 1 1776 322 171 ALA C C 176.19 0.20 1 1777 322 171 ALA CA C 52.14 0.20 1 1778 322 171 ALA CB C 19.84 0.20 1 1779 322 171 ALA N N 123.19 0.30 1 1780 323 172 VAL H H 7.29 0.03 1 1781 323 172 VAL HA H 4.02 0.03 1 1782 323 172 VAL HB H 2.12 0.03 1 1783 323 172 VAL HG1 H 0.91 0.03 2 1784 323 172 VAL HG2 H 0.89 0.03 2 1785 323 172 VAL C C 171.17 0.20 1 1786 323 172 VAL CA C 63.74 0.20 1 1787 323 172 VAL CB C 33.20 0.20 1 1788 323 172 VAL CG1 C 21.92 0.20 2 1789 323 172 VAL CG2 C 20.24 0.20 2 1790 323 172 VAL N N 121.97 0.30 1 stop_ save_