data_36084 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of C-terminal domain of TRADD ; _BMRB_accession_number 36084 _BMRB_flat_file_name bmr36084.str _Entry_type original _Submission_date 2017-05-15 _Accession_date 2017-06-06 _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 Lin Z. . . 2 Zhang N. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 674 "13C chemical shifts" 384 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-06-26 original BMRB . stop_ _Original_release_date 2017-06-06 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the carboxyl-terminal domain of TRADD reveals a unique fold in the death domain superfamily ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Z. . . 2 Zhang N. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TRADD DD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 14429.224 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; MHHHHHHSSGRGSAQTFLFQ GQPVVNRPLSLKDQQTFARS VGLKWRKVGRSLQRGCRALR DPALDSLAYEYEREGLYEQA FQLLRRFVQAEGRRATLQRL VEALEENELTSLAEDLLGLT DPNGGLA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 . HIS 3 . HIS 4 . HIS 5 . HIS 6 . HIS 7 . HIS 8 . SER 9 . SER 10 . GLY 11 . ARG 12 . GLY 13 . SER 14 199 ALA 15 200 GLN 16 201 THR 17 202 PHE 18 203 LEU 19 204 PHE 20 205 GLN 21 206 GLY 22 207 GLN 23 208 PRO 24 209 VAL 25 210 VAL 26 211 ASN 27 212 ARG 28 213 PRO 29 214 LEU 30 215 SER 31 216 LEU 32 217 LYS 33 218 ASP 34 219 GLN 35 220 GLN 36 221 THR 37 222 PHE 38 223 ALA 39 224 ARG 40 225 SER 41 226 VAL 42 227 GLY 43 228 LEU 44 229 LYS 45 230 TRP 46 231 ARG 47 232 LYS 48 233 VAL 49 234 GLY 50 235 ARG 51 236 SER 52 237 LEU 53 238 GLN 54 239 ARG 55 240 GLY 56 241 CYS 57 242 ARG 58 243 ALA 59 244 LEU 60 245 ARG 61 246 ASP 62 247 PRO 63 248 ALA 64 249 LEU 65 250 ASP 66 251 SER 67 252 LEU 68 253 ALA 69 254 TYR 70 255 GLU 71 256 TYR 72 257 GLU 73 258 ARG 74 259 GLU 75 260 GLY 76 261 LEU 77 262 TYR 78 263 GLU 79 264 GLN 80 265 ALA 81 266 PHE 82 267 GLN 83 268 LEU 84 269 LEU 85 270 ARG 86 271 ARG 87 272 PHE 88 273 VAL 89 274 GLN 90 275 ALA 91 276 GLU 92 277 GLY 93 278 ARG 94 279 ARG 95 280 ALA 96 281 THR 97 282 LEU 98 283 GLN 99 284 ARG 100 285 LEU 101 286 VAL 102 287 GLU 103 288 ALA 104 289 LEU 105 290 GLU 106 291 GLU 107 292 ASN 108 293 GLU 109 294 LEU 110 295 THR 111 296 SER 112 297 LEU 113 298 ALA 114 299 GLU 115 300 ASP 116 301 LEU 117 302 LEU 118 303 GLY 119 304 LEU 120 305 THR 121 306 ASP 122 307 PRO 123 308 ASN 124 309 GLY 125 310 GLY 126 311 LEU 127 312 ALA 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens TRADD 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 . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.6 mM U-99% 13C; U-99% 15N;U-98% 2H TRADD DD, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM '[U-99% 13C; U-99% 15N; U-98% 2H]' D10-DTT 10 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRpipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_4D_13C,_15N-edited_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C, 15N-edited NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 . pH pressure 1 . atm temperature 301 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aromatic' '2D 1H-13C HSQC aliphatic' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '4D 13C, 15N-edited NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 199 14 ALA HA H 4.372 0.02 1 2 199 14 ALA HB H 1.428 0.02 1 3 199 14 ALA CA C 52.589 0.2 1 4 199 14 ALA CB C 19.460 0.2 1 5 199 14 ALA N N 125.496 0.1 1 6 200 15 GLN H H 8.507 0.02 1 7 200 15 GLN HA H 4.459 0.02 1 8 200 15 GLN HB2 H 2.262 0.02 2 9 200 15 GLN HB3 H 2.056 0.02 2 10 200 15 GLN HG2 H 2.486 0.02 2 11 200 15 GLN HG3 H 2.411 0.02 2 12 200 15 GLN HE21 H 7.504 0.02 2 13 200 15 GLN HE22 H 6.870 0.02 2 14 200 15 GLN CA C 56.160 0.2 1 15 200 15 GLN CB C 29.440 0.2 1 16 200 15 GLN CG C 34.071 0.2 1 17 200 15 GLN N N 120.000 0.1 1 18 200 15 GLN NE2 N 112.429 0.1 1 19 201 16 THR H H 8.040 0.02 1 20 201 16 THR HA H 5.364 0.02 1 21 201 16 THR HB H 3.964 0.02 1 22 201 16 THR HG2 H 1.009 0.02 1 23 201 16 THR CA C 59.899 0.2 1 24 201 16 THR CB C 72.450 0.2 1 25 201 16 THR CG2 C 21.300 0.2 1 26 201 16 THR N N 112.980 0.1 1 27 202 17 PHE H H 9.024 0.02 1 28 202 17 PHE HA H 4.937 0.02 1 29 202 17 PHE HB2 H 2.898 0.02 2 30 202 17 PHE HB3 H 3.151 0.02 2 31 202 17 PHE HD1 H 7.026 0.02 3 32 202 17 PHE HE1 H 6.993 0.02 3 33 202 17 PHE HZ H 6.756 0.02 1 34 202 17 PHE CA C 55.200 0.2 1 35 202 17 PHE CB C 41.150 0.2 1 36 202 17 PHE CD1 C 133.300 0.2 3 37 202 17 PHE CE1 C 130.151 0.2 3 38 202 17 PHE CZ C 128.170 0.2 1 39 202 17 PHE N N 119.361 0.1 1 40 203 18 LEU H H 8.520 0.02 1 41 203 18 LEU HA H 4.700 0.02 1 42 203 18 LEU HB2 H 1.720 0.02 2 43 203 18 LEU HB3 H 1.057 0.02 2 44 203 18 LEU HG H 1.475 0.02 1 45 203 18 LEU HD1 H 0.742 0.02 2 46 203 18 LEU HD2 H 0.500 0.02 2 47 203 18 LEU CA C 53.964 0.2 1 48 203 18 LEU CB C 43.931 0.2 1 49 203 18 LEU CG C 26.746 0.2 1 50 203 18 LEU CD1 C 24.900 0.2 1 51 203 18 LEU CD2 C 22.900 0.2 1 52 203 18 LEU N N 120.050 0.1 1 53 204 19 PHE H H 8.956 0.02 1 54 204 19 PHE HA H 4.687 0.02 1 55 204 19 PHE HB2 H 2.730 0.02 2 56 204 19 PHE HB3 H 2.680 0.02 2 57 204 19 PHE HD1 H 7.162 0.02 3 58 204 19 PHE HE1 H 7.111 0.02 3 59 204 19 PHE HZ H 7.123 0.02 1 60 204 19 PHE CA C 57.286 0.2 1 61 204 19 PHE CB C 41.796 0.2 1 62 204 19 PHE CD1 C 132.290 0.2 3 63 204 19 PHE CE1 C 130.977 0.2 3 64 204 19 PHE CZ C 129.253 0.2 1 65 204 19 PHE N N 123.616 0.1 1 66 205 20 GLN H H 9.066 0.02 1 67 205 20 GLN HA H 3.513 0.02 1 68 205 20 GLN HB2 H 1.629 0.02 2 69 205 20 GLN HB3 H 1.857 0.02 2 70 205 20 GLN HG2 H 1.429 0.02 2 71 205 20 GLN HG3 H 1.115 0.02 2 72 205 20 GLN HE21 H 6.970 0.02 2 73 205 20 GLN HE22 H 6.606 0.02 2 74 205 20 GLN CA C 56.328 0.2 1 75 205 20 GLN CB C 25.718 0.2 1 76 205 20 GLN CG C 33.320 0.2 1 77 205 20 GLN N N 126.370 0.1 1 78 205 20 GLN NE2 N 110.500 0.1 1 79 206 21 GLY H H 8.329 0.02 1 80 206 21 GLY HA2 H 4.097 0.02 2 81 206 21 GLY HA3 H 3.456 0.02 2 82 206 21 GLY CA C 45.320 0.2 1 83 206 21 GLY N N 102.200 0.1 1 84 207 22 GLN H H 7.850 0.02 1 85 207 22 GLN HA H 4.889 0.02 1 86 207 22 GLN HB2 H 2.083 0.02 2 87 207 22 GLN HB3 H 2.033 0.02 2 88 207 22 GLN HG2 H 2.304 0.02 2 89 207 22 GLN HG3 H 2.304 0.02 2 90 207 22 GLN HE21 H 7.440 0.02 2 91 207 22 GLN HE22 H 6.851 0.02 2 92 207 22 GLN CA C 51.991 0.2 1 93 207 22 GLN CB C 30.439 0.2 1 94 207 22 GLN CG C 33.167 0.2 1 95 207 22 GLN N N 120.310 0.1 1 96 207 22 GLN NE2 N 111.915 0.1 1 97 208 23 PRO HA H 4.599 0.02 1 98 208 23 PRO HB2 H 1.738 0.02 2 99 208 23 PRO HB3 H 1.972 0.02 2 100 208 23 PRO HG2 H 1.879 0.02 2 101 208 23 PRO HG3 H 2.130 0.02 2 102 208 23 PRO HD2 H 3.692 0.02 2 103 208 23 PRO HD3 H 3.692 0.02 2 104 208 23 PRO CA C 62.453 0.2 1 105 208 23 PRO CB C 31.500 0.2 1 106 208 23 PRO CG C 27.467 0.2 1 107 208 23 PRO CD C 50.500 0.2 1 108 209 24 VAL H H 8.968 0.02 1 109 209 24 VAL HA H 4.134 0.02 1 110 209 24 VAL HB H 1.000 0.02 1 111 209 24 VAL HG1 H 0.311 0.02 2 112 209 24 VAL HG2 H 0.707 0.02 2 113 209 24 VAL CA C 60.146 0.2 1 114 209 24 VAL CB C 34.212 0.2 1 115 209 24 VAL CG1 C 20.400 0.2 1 116 209 24 VAL CG2 C 22.500 0.2 1 117 209 24 VAL N N 124.082 0.1 1 118 210 25 VAL H H 8.168 0.02 1 119 210 25 VAL HA H 3.899 0.02 1 120 210 25 VAL HB H 1.937 0.02 1 121 210 25 VAL HG1 H 1.000 0.02 2 122 210 25 VAL HG2 H 0.937 0.02 2 123 210 25 VAL CA C 63.710 0.2 1 124 210 25 VAL CB C 32.090 0.2 1 125 210 25 VAL CG1 C 21.462 0.2 1 126 210 25 VAL CG2 C 21.947 0.2 1 127 210 25 VAL N N 123.695 0.1 1 128 211 26 ASN H H 8.645 0.02 1 129 211 26 ASN HA H 5.073 0.02 1 130 211 26 ASN HB2 H 3.018 0.02 2 131 211 26 ASN HB3 H 2.640 0.02 2 132 211 26 ASN HD21 H 7.800 0.02 2 133 211 26 ASN HD22 H 6.342 0.02 2 134 211 26 ASN CA C 51.354 0.2 1 135 211 26 ASN CB C 39.500 0.2 1 136 211 26 ASN N N 124.817 0.1 1 137 211 26 ASN ND2 N 110.200 0.1 1 138 212 27 ARG H H 7.613 0.02 1 139 212 27 ARG HA H 4.888 0.02 1 140 212 27 ARG HB2 H 2.165 0.02 2 141 212 27 ARG HB3 H 1.619 0.02 2 142 212 27 ARG HG2 H 1.490 0.02 2 143 212 27 ARG HG3 H 1.450 0.02 2 144 212 27 ARG HD2 H 3.120 0.02 2 145 212 27 ARG HD3 H 3.120 0.02 2 146 212 27 ARG CA C 53.882 0.2 1 147 212 27 ARG CB C 28.728 0.2 1 148 212 27 ARG CG C 25.700 0.2 1 149 212 27 ARG CD C 43.000 0.2 1 150 212 27 ARG N N 116.110 0.1 1 151 213 28 PRO HA H 4.430 0.02 1 152 213 28 PRO HB2 H 2.356 0.02 2 153 213 28 PRO HB3 H 1.780 0.02 2 154 213 28 PRO HG2 H 2.040 0.02 2 155 213 28 PRO HD2 H 4.430 0.02 2 156 213 28 PRO HD3 H 4.430 0.02 2 157 213 28 PRO CA C 62.620 0.2 1 158 213 28 PRO CB C 32.079 0.2 1 159 213 28 PRO CG C 27.560 0.2 1 160 213 28 PRO CD C 50.638 0.2 1 161 214 29 LEU H H 8.018 0.02 1 162 214 29 LEU HA H 4.450 0.02 1 163 214 29 LEU HB2 H 1.565 0.02 2 164 214 29 LEU HB3 H 1.148 0.02 2 165 214 29 LEU HG H 1.475 0.02 1 166 214 29 LEU HD1 H 0.717 0.02 2 167 214 29 LEU HD2 H 0.781 0.02 2 168 214 29 LEU CA C 55.050 0.2 1 169 214 29 LEU CB C 42.990 0.2 1 170 214 29 LEU CG C 27.250 0.2 1 171 214 29 LEU CD1 C 26.490 0.2 1 172 214 29 LEU CD2 C 24.100 0.2 1 173 214 29 LEU N N 121.243 0.1 1 174 215 30 SER H H 9.887 0.02 1 175 215 30 SER HA H 4.724 0.02 1 176 215 30 SER HB2 H 4.334 0.02 2 177 215 30 SER HB3 H 3.879 0.02 2 178 215 30 SER CA C 55.900 0.2 1 179 215 30 SER CB C 67.380 0.2 1 180 215 30 SER N N 121.547 0.1 1 181 216 31 LEU H H 8.787 0.02 1 182 216 31 LEU HA H 4.170 0.02 1 183 216 31 LEU HB2 H 1.750 0.02 2 184 216 31 LEU HB3 H 1.650 0.02 2 185 216 31 LEU HG H 1.551 0.02 1 186 216 31 LEU HD1 H 0.936 0.02 2 187 216 31 LEU HD2 H 1.101 0.02 2 188 216 31 LEU CA C 58.288 0.2 1 189 216 31 LEU CB C 41.220 0.2 1 190 216 31 LEU CG C 27.077 0.2 1 191 216 31 LEU CD1 C 24.960 0.2 1 192 216 31 LEU CD2 C 23.277 0.2 1 193 216 31 LEU N N 123.177 0.1 1 194 217 32 LYS H H 8.138 0.02 1 195 217 32 LYS HA H 4.149 0.02 1 196 217 32 LYS HB2 H 1.821 0.02 2 197 217 32 LYS HB3 H 1.750 0.02 2 198 217 32 LYS HG2 H 1.680 0.02 2 199 217 32 LYS HG3 H 1.680 0.02 2 200 217 32 LYS HD2 H 1.470 0.02 2 201 217 32 LYS HD3 H 1.430 0.02 2 202 217 32 LYS HE2 H 2.980 0.02 2 203 217 32 LYS HE3 H 2.980 0.02 2 204 217 32 LYS CA C 59.450 0.2 1 205 217 32 LYS CB C 32.017 0.2 1 206 217 32 LYS CG C 29.116 0.2 1 207 217 32 LYS CD C 24.842 0.2 1 208 217 32 LYS CE C 41.969 0.2 1 209 217 32 LYS N N 119.333 0.1 1 210 218 33 ASP H H 8.000 0.02 1 211 218 33 ASP HA H 4.139 0.02 1 212 218 33 ASP HB2 H 3.016 0.02 2 213 218 33 ASP HB3 H 2.279 0.02 2 214 218 33 ASP CA C 57.800 0.2 1 215 218 33 ASP CB C 41.693 0.2 1 216 218 33 ASP N N 120.920 0.1 1 217 219 34 GLN H H 7.746 0.02 1 218 219 34 GLN HA H 3.828 0.02 1 219 219 34 GLN HB2 H 2.370 0.02 2 220 219 34 GLN HB3 H 2.027 0.02 2 221 219 34 GLN HG2 H 2.346 0.02 2 222 219 34 GLN HG3 H 1.784 0.02 2 223 219 34 GLN HE21 H 6.421 0.02 2 224 219 34 GLN HE22 H 5.257 0.02 2 225 219 34 GLN CA C 59.196 0.2 1 226 219 34 GLN CB C 29.159 0.2 1 227 219 34 GLN CG C 34.064 0.2 1 228 219 34 GLN N N 117.108 0.1 1 229 219 34 GLN NE2 N 105.490 0.1 1 230 220 35 GLN H H 8.581 0.02 1 231 220 35 GLN HA H 4.200 0.02 1 232 220 35 GLN HB2 H 2.352 0.02 2 233 220 35 GLN HB3 H 2.095 0.02 2 234 220 35 GLN HG2 H 2.741 0.02 2 235 220 35 GLN HG3 H 2.341 0.02 2 236 220 35 GLN HE21 H 7.113 0.02 2 237 220 35 GLN HE22 H 6.777 0.02 2 238 220 35 GLN CA C 59.247 0.2 1 239 220 35 GLN CB C 28.800 0.2 1 240 220 35 GLN CG C 34.100 0.2 1 241 220 35 GLN N N 117.858 0.1 1 242 220 35 GLN NE2 N 110.326 0.1 1 243 221 36 THR H H 8.561 0.02 1 244 221 36 THR HA H 3.841 0.02 1 245 221 36 THR HB H 4.210 0.02 1 246 221 36 THR HG2 H 1.118 0.02 1 247 221 36 THR CA C 67.012 0.2 1 248 221 36 THR CB C 68.335 0.2 1 249 221 36 THR CG2 C 21.400 0.2 1 250 221 36 THR N N 117.289 0.1 1 251 222 37 PHE H H 8.376 0.02 1 252 222 37 PHE HA H 4.116 0.02 1 253 222 37 PHE HB2 H 3.275 0.02 2 254 222 37 PHE HB3 H 2.957 0.02 2 255 222 37 PHE HD1 H 6.984 0.02 3 256 222 37 PHE HE1 H 7.360 0.02 3 257 222 37 PHE HZ H 6.988 0.02 1 258 222 37 PHE CA C 61.235 0.2 1 259 222 37 PHE CB C 39.752 0.2 1 260 222 37 PHE CD1 C 132.674 0.2 3 261 222 37 PHE CE1 C 131.486 0.2 3 262 222 37 PHE CZ C 128.167 0.2 1 263 222 37 PHE N N 120.376 0.1 1 264 223 38 ALA H H 8.253 0.02 1 265 223 38 ALA HA H 3.612 0.02 1 266 223 38 ALA HB H 1.101 0.02 1 267 223 38 ALA CA C 54.645 0.2 1 268 223 38 ALA CB C 18.357 0.2 1 269 223 38 ALA N N 120.618 0.1 1 270 224 39 ARG H H 8.108 0.02 1 271 224 39 ARG HA H 4.359 0.02 1 272 224 39 ARG HB2 H 2.086 0.02 2 273 224 39 ARG HB3 H 1.970 0.02 2 274 224 39 ARG HG2 H 1.940 0.02 2 275 224 39 ARG HG3 H 1.790 0.02 2 276 224 39 ARG HD2 H 3.198 0.02 2 277 224 39 ARG HD3 H 3.198 0.02 2 278 224 39 ARG CA C 58.453 0.2 1 279 224 39 ARG CB C 30.900 0.2 1 280 224 39 ARG CG C 27.802 0.2 1 281 224 39 ARG CD C 43.352 0.2 1 282 224 39 ARG N N 114.394 0.1 1 283 225 40 SER H H 7.112 0.02 1 284 225 40 SER HA H 4.691 0.02 1 285 225 40 SER HB2 H 3.698 0.02 2 286 225 40 SER HB3 H 3.830 0.02 2 287 225 40 SER CA C 59.809 0.2 1 288 225 40 SER CB C 65.846 0.2 1 289 225 40 SER N N 110.203 0.1 1 290 226 41 VAL H H 7.910 0.02 1 291 226 41 VAL HA H 3.641 0.02 1 292 226 41 VAL HB H 1.181 0.02 1 293 226 41 VAL HG1 H 0.575 0.02 2 294 226 41 VAL HG2 H 0.398 0.02 2 295 226 41 VAL CA C 64.351 0.2 1 296 226 41 VAL CB C 30.980 0.2 1 297 226 41 VAL CG1 C 21.713 0.2 1 298 226 41 VAL CG2 C 21.106 0.2 1 299 226 41 VAL N N 120.870 0.1 1 300 227 42 GLY H H 7.965 0.02 1 301 227 42 GLY HA2 H 3.967 0.02 2 302 227 42 GLY HA3 H 3.643 0.02 2 303 227 42 GLY CA C 46.759 0.2 1 304 227 42 GLY N N 111.337 0.1 1 305 228 43 LEU H H 9.093 0.02 1 306 228 43 LEU HA H 4.186 0.02 1 307 228 43 LEU HB2 H 1.800 0.02 2 308 228 43 LEU HB3 H 1.730 0.02 2 309 228 43 LEU HG H 1.823 0.02 1 310 228 43 LEU HD1 H 0.988 0.02 2 311 228 43 LEU HD2 H 1.047 0.02 2 312 228 43 LEU CA C 57.012 0.2 1 313 228 43 LEU CB C 42.310 0.2 1 314 228 43 LEU CG C 27.060 0.2 1 315 228 43 LEU CD1 C 25.263 0.2 1 316 228 43 LEU CD2 C 24.038 0.2 1 317 228 43 LEU N N 124.973 0.1 1 318 229 44 LYS H H 7.634 0.02 1 319 229 44 LYS HA H 4.230 0.02 1 320 229 44 LYS HB2 H 1.973 0.02 2 321 229 44 LYS HB3 H 1.973 0.02 2 322 229 44 LYS HG2 H 1.703 0.02 2 323 229 44 LYS HG3 H 1.423 0.02 2 324 229 44 LYS HD2 H 1.746 0.02 2 325 229 44 LYS HD3 H 1.746 0.02 2 326 229 44 LYS HE2 H 3.060 0.02 2 327 229 44 LYS HE3 H 3.060 0.02 2 328 229 44 LYS CA C 57.550 0.2 1 329 229 44 LYS CB C 32.473 0.2 1 330 229 44 LYS CG C 26.734 0.2 1 331 229 44 LYS CD C 29.999 0.2 1 332 229 44 LYS CE C 42.362 0.2 1 333 229 44 LYS N N 116.110 0.1 1 334 230 45 TRP H H 8.012 0.02 1 335 230 45 TRP HA H 3.910 0.02 1 336 230 45 TRP HB2 H 3.310 0.02 2 337 230 45 TRP HB3 H 3.260 0.02 2 338 230 45 TRP HD1 H 7.632 0.02 1 339 230 45 TRP HE1 H 9.933 0.02 3 340 230 45 TRP HE3 H 7.304 0.02 3 341 230 45 TRP HZ2 H 7.288 0.02 3 342 230 45 TRP HZ3 H 6.865 0.02 3 343 230 45 TRP HH2 H 7.264 0.02 1 344 230 45 TRP CA C 61.100 0.2 1 345 230 45 TRP CB C 27.146 0.2 1 346 230 45 TRP CD1 C 127.537 0.2 3 347 230 45 TRP CE3 C 119.875 0.2 3 348 230 45 TRP CZ2 C 114.411 0.2 3 349 230 45 TRP CZ3 C 121.048 0.2 3 350 230 45 TRP CH2 C 123.854 0.2 1 351 230 45 TRP N N 120.925 0.1 1 352 230 45 TRP NE1 N 129.756 0.1 1 353 231 46 ARG H H 5.957 0.02 1 354 231 46 ARG HA H 3.010 0.02 1 355 231 46 ARG HB2 H 1.195 0.02 2 356 231 46 ARG HB3 H 0.622 0.02 2 357 231 46 ARG HG2 H 0.400 0.02 2 358 231 46 ARG HG3 H 0.440 0.02 2 359 231 46 ARG HD2 H 2.670 0.02 2 360 231 46 ARG HD3 H 2.660 0.02 2 361 231 46 ARG HE H 6.903 0.02 1 362 231 46 ARG CA C 59.600 0.2 1 363 231 46 ARG CB C 29.400 0.2 1 364 231 46 ARG CG C 27.100 0.2 1 365 231 46 ARG CD C 42.900 0.2 1 366 231 46 ARG N N 121.265 0.1 1 367 231 46 ARG NE N 85.765 0.1 1 368 232 47 LYS H H 7.185 0.02 1 369 232 47 LYS HA H 3.846 0.02 1 370 232 47 LYS HB2 H 1.953 0.02 2 371 232 47 LYS HB3 H 1.666 0.02 2 372 232 47 LYS HG2 H 1.476 0.02 2 373 232 47 LYS HG3 H 1.370 0.02 2 374 232 47 LYS HD2 H 1.595 0.02 2 375 232 47 LYS HD3 H 1.595 0.02 2 376 232 47 LYS HE2 H 2.973 0.02 2 377 232 47 LYS HE3 H 2.973 0.02 2 378 232 47 LYS CA C 59.196 0.2 1 379 232 47 LYS CB C 31.500 0.2 1 380 232 47 LYS CG C 25.400 0.2 1 381 232 47 LYS CD C 29.000 0.2 1 382 232 47 LYS CE C 42.008 0.2 1 383 232 47 LYS N N 119.478 0.1 1 384 233 48 VAL H H 7.620 0.02 1 385 233 48 VAL HA H 3.496 0.02 1 386 233 48 VAL HB H 2.201 0.02 1 387 233 48 VAL HG1 H 0.778 0.02 2 388 233 48 VAL HG2 H 0.960 0.02 2 389 233 48 VAL CA C 66.880 0.2 1 390 233 48 VAL CB C 31.344 0.2 1 391 233 48 VAL CG1 C 20.800 0.2 1 392 233 48 VAL CG2 C 23.900 0.2 1 393 233 48 VAL N N 119.099 0.1 1 394 234 49 GLY H H 8.646 0.02 1 395 234 49 GLY HA2 H 3.582 0.02 2 396 234 49 GLY HA3 H 3.541 0.02 2 397 234 49 GLY CA C 48.814 0.2 1 398 234 49 GLY N N 106.807 0.1 1 399 235 50 ARG H H 8.046 0.02 1 400 235 50 ARG HA H 3.957 0.02 1 401 235 50 ARG HB2 H 1.860 0.02 2 402 235 50 ARG HB3 H 1.900 0.02 2 403 235 50 ARG HG2 H 1.727 0.02 2 404 235 50 ARG HG3 H 1.560 0.02 2 405 235 50 ARG HD2 H 3.156 0.02 2 406 235 50 ARG HD3 H 3.156 0.02 2 407 235 50 ARG CA C 59.112 0.2 1 408 235 50 ARG CB C 29.300 0.2 1 409 235 50 ARG CG C 27.400 0.2 1 410 235 50 ARG CD C 43.114 0.2 1 411 235 50 ARG N N 121.427 0.1 1 412 236 51 SER H H 7.701 0.02 1 413 236 51 SER HA H 4.263 0.02 1 414 236 51 SER HB2 H 3.960 0.02 2 415 236 51 SER HB3 H 3.920 0.02 2 416 236 51 SER CA C 63.412 0.2 1 417 236 51 SER CB C 62.469 0.2 1 418 236 51 SER N N 117.047 0.1 1 419 237 52 LEU H H 7.989 0.02 1 420 237 52 LEU HA H 3.960 0.02 1 421 237 52 LEU HB2 H 0.821 0.02 2 422 237 52 LEU HB3 H 1.610 0.02 2 423 237 52 LEU HG H 1.378 0.02 1 424 237 52 LEU HD1 H 0.049 0.02 2 425 237 52 LEU HD2 H -0.199 0.02 2 426 237 52 LEU CA C 56.215 0.2 1 427 237 52 LEU CB C 41.550 0.2 1 428 237 52 LEU CG C 25.300 0.2 1 429 237 52 LEU CD1 C 21.100 0.2 1 430 237 52 LEU CD2 C 24.250 0.2 1 431 237 52 LEU N N 120.236 0.1 1 432 238 53 GLN H H 7.991 0.02 1 433 238 53 GLN HA H 3.979 0.02 1 434 238 53 GLN HB2 H 2.241 0.02 2 435 238 53 GLN HB3 H 1.956 0.02 2 436 238 53 GLN HG2 H 2.575 0.02 2 437 238 53 GLN HG3 H 2.254 0.02 2 438 238 53 GLN HE21 H 7.069 0.02 2 439 238 53 GLN HE22 H 7.937 0.02 2 440 238 53 GLN CA C 58.200 0.2 1 441 238 53 GLN CB C 28.820 0.2 1 442 238 53 GLN CG C 34.106 0.2 1 443 238 53 GLN N N 117.666 0.1 1 444 238 53 GLN NE2 N 113.322 0.1 1 445 239 54 ARG H H 7.218 0.02 1 446 239 54 ARG HA H 4.006 0.02 1 447 239 54 ARG HB2 H 1.853 0.02 2 448 239 54 ARG HB3 H 1.853 0.02 2 449 239 54 ARG HG2 H 1.787 0.02 2 450 239 54 ARG HG3 H 1.581 0.02 2 451 239 54 ARG HD2 H 3.280 0.02 2 452 239 54 ARG HD3 H 3.230 0.02 2 453 239 54 ARG CA C 59.290 0.2 1 454 239 54 ARG CB C 29.580 0.2 1 455 239 54 ARG CG C 27.500 0.2 1 456 239 54 ARG CD C 43.400 0.2 1 457 239 54 ARG N N 117.980 0.1 1 458 240 55 GLY H H 7.590 0.02 1 459 240 55 GLY HA2 H 4.377 0.02 2 460 240 55 GLY HA3 H 3.695 0.02 2 461 240 55 GLY CA C 44.950 0.2 1 462 240 55 GLY N N 105.350 0.1 1 463 241 56 CYS H H 7.331 0.02 1 464 241 56 CYS HA H 4.846 0.02 1 465 241 56 CYS HB2 H 2.727 0.02 2 466 241 56 CYS HB3 H 2.727 0.02 2 467 241 56 CYS CA C 57.005 0.2 1 468 241 56 CYS CB C 27.749 0.2 1 469 241 56 CYS N N 120.931 0.1 1 470 242 57 ARG H H 9.078 0.02 1 471 242 57 ARG HA H 3.995 0.02 1 472 242 57 ARG HB2 H 1.872 0.02 2 473 242 57 ARG HB3 H 1.872 0.02 2 474 242 57 ARG HG2 H 1.683 0.02 2 475 242 57 ARG HG3 H 1.683 0.02 2 476 242 57 ARG HD2 H 3.214 0.02 2 477 242 57 ARG CA C 59.446 0.2 1 478 242 57 ARG CB C 29.575 0.2 1 479 242 57 ARG CG C 27.489 0.2 1 480 242 57 ARG CD C 43.300 0.2 1 481 242 57 ARG N N 130.763 0.1 1 482 243 58 ALA H H 8.368 0.02 1 483 243 58 ALA HA H 4.201 0.02 1 484 243 58 ALA HB H 1.344 0.02 1 485 243 58 ALA CA C 54.016 0.2 1 486 243 58 ALA CB C 19.100 0.2 1 487 243 58 ALA N N 120.759 0.1 1 488 244 59 LEU H H 7.450 0.02 1 489 244 59 LEU HA H 4.387 0.02 1 490 244 59 LEU HB2 H 1.763 0.02 2 491 244 59 LEU HB3 H 1.493 0.02 2 492 244 59 LEU HG H 1.633 0.02 1 493 244 59 LEU HD1 H 0.785 0.02 2 494 244 59 LEU HD2 H 0.763 0.02 2 495 244 59 LEU CA C 53.419 0.2 1 496 244 59 LEU CB C 42.900 0.2 1 497 244 59 LEU CG C 27.370 0.2 1 498 244 59 LEU CD1 C 26.250 0.2 1 499 244 59 LEU CD2 C 22.386 0.2 1 500 244 59 LEU N N 114.661 0.1 1 501 245 60 ARG H H 7.451 0.02 1 502 245 60 ARG HA H 4.005 0.02 1 503 245 60 ARG HB2 H 1.940 0.02 2 504 245 60 ARG HB3 H 1.960 0.02 2 505 245 60 ARG HG2 H 1.880 0.02 2 506 245 60 ARG HG3 H 1.820 0.02 2 507 245 60 ARG HD2 H 3.216 0.02 2 508 245 60 ARG HD3 H 3.216 0.02 2 509 245 60 ARG CA C 57.222 0.2 1 510 245 60 ARG CB C 30.322 0.2 1 511 245 60 ARG CG C 27.813 0.2 1 512 245 60 ARG CD C 43.890 0.2 1 513 245 60 ARG N N 120.165 0.1 1 514 246 61 ASP H H 8.832 0.02 1 515 246 61 ASP HA H 4.802 0.02 1 516 246 61 ASP HB2 H 2.477 0.02 2 517 246 61 ASP HB3 H 2.790 0.02 2 518 246 61 ASP CA C 54.348 0.2 1 519 246 61 ASP CB C 39.080 0.2 1 520 246 61 ASP N N 124.579 0.1 1 521 247 62 PRO HA H 4.996 0.02 1 522 247 62 PRO HB2 H 2.070 0.02 2 523 247 62 PRO HB3 H 2.685 0.02 2 524 247 62 PRO HG2 H 1.970 0.02 2 525 247 62 PRO HG3 H 1.640 0.02 2 526 247 62 PRO HD2 H 3.458 0.02 2 527 247 62 PRO HD3 H 3.520 0.02 2 528 247 62 PRO CA C 64.452 0.2 1 529 247 62 PRO CB C 32.500 0.2 1 530 247 62 PRO CG C 24.400 0.2 1 531 247 62 PRO CD C 49.600 0.2 1 532 248 63 ALA H H 9.245 0.02 1 533 248 63 ALA HA H 4.119 0.02 1 534 248 63 ALA HB H 1.459 0.02 1 535 248 63 ALA CA C 56.267 0.2 1 536 248 63 ALA CB C 19.461 0.2 1 537 248 63 ALA N N 126.536 0.1 1 538 249 64 LEU H H 7.926 0.02 1 539 249 64 LEU HA H 4.256 0.02 1 540 249 64 LEU HB2 H 2.012 0.02 2 541 249 64 LEU HB3 H 1.352 0.02 2 542 249 64 LEU HG H 1.825 0.02 1 543 249 64 LEU HD1 H 0.811 0.02 2 544 249 64 LEU HD2 H 0.855 0.02 2 545 249 64 LEU CA C 58.133 0.2 1 546 249 64 LEU CB C 40.310 0.2 1 547 249 64 LEU CG C 26.898 0.2 1 548 249 64 LEU CD1 C 25.900 0.2 1 549 249 64 LEU CD2 C 24.100 0.2 1 550 249 64 LEU N N 114.628 0.1 1 551 250 65 ASP H H 7.677 0.02 1 552 250 65 ASP HA H 4.435 0.02 1 553 250 65 ASP HB2 H 2.698 0.02 2 554 250 65 ASP HB3 H 2.698 0.02 2 555 250 65 ASP CA C 57.238 0.2 1 556 250 65 ASP CB C 40.473 0.2 1 557 250 65 ASP N N 119.235 0.1 1 558 251 66 SER H H 8.464 0.02 1 559 251 66 SER HA H 4.342 0.02 1 560 251 66 SER HB2 H 3.997 0.02 2 561 251 66 SER HB3 H 3.997 0.02 2 562 251 66 SER CA C 61.787 0.2 1 563 251 66 SER CB C 62.545 0.2 1 564 251 66 SER N N 115.989 0.1 1 565 252 67 LEU H H 8.081 0.02 1 566 252 67 LEU HA H 4.222 0.02 1 567 252 67 LEU HB2 H 2.163 0.02 2 568 252 67 LEU HB3 H 1.620 0.02 2 569 252 67 LEU HG H 1.880 0.02 1 570 252 67 LEU HD1 H 0.864 0.02 2 571 252 67 LEU HD2 H 0.863 0.02 2 572 252 67 LEU CA C 58.505 0.2 1 573 252 67 LEU CB C 43.083 0.2 1 574 252 67 LEU CG C 27.400 0.2 1 575 252 67 LEU CD1 C 26.250 0.2 1 576 252 67 LEU CD2 C 24.500 0.2 1 577 252 67 LEU N N 123.308 0.1 1 578 253 68 ALA H H 8.099 0.02 1 579 253 68 ALA HA H 4.113 0.02 1 580 253 68 ALA HB H 1.758 0.02 1 581 253 68 ALA CA C 55.250 0.2 1 582 253 68 ALA CB C 18.383 0.2 1 583 253 68 ALA N N 120.158 0.1 1 584 254 69 TYR H H 7.986 0.02 1 585 254 69 TYR HA H 4.327 0.02 1 586 254 69 TYR HB2 H 3.190 0.02 2 587 254 69 TYR HB3 H 3.090 0.02 2 588 254 69 TYR HD1 H 7.138 0.02 3 589 254 69 TYR HE1 H 6.802 0.02 3 590 254 69 TYR CA C 60.475 0.2 1 591 254 69 TYR CB C 38.500 0.2 1 592 254 69 TYR CD1 C 133.138 0.2 3 593 254 69 TYR CE1 C 118.100 0.2 3 594 254 69 TYR N N 115.699 0.1 1 595 255 70 GLU H H 8.541 0.02 1 596 255 70 GLU HA H 3.705 0.02 1 597 255 70 GLU HB2 H 1.972 0.02 2 598 255 70 GLU HB3 H 1.532 0.02 2 599 255 70 GLU HG2 H 1.506 0.02 2 600 255 70 GLU HG3 H 2.105 0.02 2 601 255 70 GLU CA C 58.576 0.2 1 602 255 70 GLU CB C 28.800 0.2 1 603 255 70 GLU CG C 33.729 0.2 1 604 255 70 GLU N N 119.287 0.1 1 605 256 71 TYR H H 7.413 0.02 1 606 256 71 TYR HA H 4.954 0.02 1 607 256 71 TYR HB2 H 3.164 0.02 2 608 256 71 TYR HB3 H 2.383 0.02 2 609 256 71 TYR HD1 H 7.181 0.02 3 610 256 71 TYR HE1 H 6.687 0.02 3 611 256 71 TYR CA C 57.952 0.2 1 612 256 71 TYR CB C 38.120 0.2 1 613 256 71 TYR CD1 C 133.309 0.2 3 614 256 71 TYR CE1 C 117.974 0.2 3 615 256 71 TYR N N 112.614 0.1 1 616 257 72 GLU H H 7.453 0.02 1 617 257 72 GLU HA H 3.900 0.02 1 618 257 72 GLU HB2 H 2.086 0.02 2 619 257 72 GLU HB3 H 2.436 0.02 2 620 257 72 GLU HG2 H 2.359 0.02 2 621 257 72 GLU HG3 H 2.359 0.02 2 622 257 72 GLU CA C 59.774 0.2 1 623 257 72 GLU CB C 28.466 0.2 1 624 257 72 GLU CG C 33.761 0.2 1 625 257 72 GLU N N 122.178 0.1 1 626 258 73 ARG H H 8.654 0.02 1 627 258 73 ARG HA H 4.066 0.02 1 628 258 73 ARG HB2 H 1.789 0.02 2 629 258 73 ARG HB3 H 1.789 0.02 2 630 258 73 ARG HG2 H 1.626 0.02 2 631 258 73 ARG HG3 H 1.626 0.02 2 632 258 73 ARG HD2 H 3.175 0.02 2 633 258 73 ARG HD3 H 3.175 0.02 2 634 258 73 ARG CA C 58.159 0.2 1 635 258 73 ARG CB C 29.480 0.2 1 636 258 73 ARG CG C 27.422 0.2 1 637 258 73 ARG CD C 43.200 0.2 1 638 258 73 ARG N N 117.332 0.1 1 639 259 74 GLU H H 7.909 0.02 1 640 259 74 GLU HA H 4.291 0.02 1 641 259 74 GLU HB2 H 2.220 0.02 2 642 259 74 GLU HB3 H 2.140 0.02 2 643 259 74 GLU HG2 H 2.409 0.02 2 644 259 74 GLU HG3 H 2.590 0.02 2 645 259 74 GLU CA C 57.924 0.2 1 646 259 74 GLU CB C 29.547 0.2 1 647 259 74 GLU CG C 35.700 0.2 1 648 259 74 GLU N N 117.346 0.1 1 649 260 75 GLY H H 7.607 0.02 1 650 260 75 GLY HA2 H 4.501 0.02 2 651 260 75 GLY HA3 H 3.828 0.02 2 652 260 75 GLY CA C 44.586 0.2 1 653 260 75 GLY N N 106.995 0.1 1 654 261 76 LEU H H 8.173 0.02 1 655 261 76 LEU HA H 3.985 0.02 1 656 261 76 LEU HB2 H 1.784 0.02 2 657 261 76 LEU HB3 H 1.417 0.02 2 658 261 76 LEU HG H 1.813 0.02 1 659 261 76 LEU HD1 H 0.994 0.02 2 660 261 76 LEU HD2 H 1.045 0.02 2 661 261 76 LEU CA C 58.136 0.2 1 662 261 76 LEU CB C 42.805 0.2 1 663 261 76 LEU CG C 27.100 0.2 1 664 261 76 LEU CD1 C 25.600 0.2 1 665 261 76 LEU CD2 C 24.000 0.2 1 666 261 76 LEU N N 118.777 0.1 1 667 262 77 TYR H H 8.465 0.02 1 668 262 77 TYR HA H 4.063 0.02 1 669 262 77 TYR HB2 H 3.000 0.02 2 670 262 77 TYR HB3 H 2.980 0.02 2 671 262 77 TYR HD1 H 6.756 0.02 3 672 262 77 TYR HE1 H 6.554 0.02 3 673 262 77 TYR CA C 60.957 0.2 1 674 262 77 TYR CB C 37.519 0.2 1 675 262 77 TYR CD1 C 133.189 0.2 3 676 262 77 TYR CE1 C 117.683 0.2 3 677 262 77 TYR N N 119.200 0.1 1 678 263 78 GLU H H 7.544 0.02 1 679 263 78 GLU HA H 3.838 0.02 1 680 263 78 GLU HB2 H 2.100 0.02 2 681 263 78 GLU HB3 H 1.839 0.02 2 682 263 78 GLU HG2 H 2.493 0.02 2 683 263 78 GLU HG3 H 2.062 0.02 2 684 263 78 GLU CA C 58.293 0.2 1 685 263 78 GLU CB C 29.600 0.2 1 686 263 78 GLU CG C 34.600 0.2 1 687 263 78 GLU N N 118.719 0.1 1 688 264 79 GLN H H 7.710 0.02 1 689 264 79 GLN HA H 3.024 0.02 1 690 264 79 GLN HB2 H 0.305 0.02 2 691 264 79 GLN HB3 H 1.347 0.02 2 692 264 79 GLN HG2 H 1.770 0.02 2 693 264 79 GLN HG3 H 2.275 0.02 2 694 264 79 GLN HE21 H 7.027 0.02 2 695 264 79 GLN HE22 H 7.027 0.02 2 696 264 79 GLN CA C 59.671 0.2 1 697 264 79 GLN CB C 27.200 0.2 1 698 264 79 GLN CG C 35.300 0.2 1 699 264 79 GLN N N 117.040 0.1 1 700 264 79 GLN NE2 N 110.350 0.1 1 701 265 80 ALA H H 7.266 0.02 1 702 265 80 ALA HA H 3.544 0.02 1 703 265 80 ALA HB H 1.249 0.02 1 704 265 80 ALA CA C 54.979 0.2 1 705 265 80 ALA CB C 19.886 0.2 1 706 265 80 ALA N N 117.811 0.1 1 707 266 81 PHE H H 8.644 0.02 1 708 266 81 PHE HA H 3.743 0.02 1 709 266 81 PHE HB2 H 2.438 0.02 2 710 266 81 PHE HB3 H 2.651 0.02 2 711 266 81 PHE HD1 H 6.790 0.02 3 712 266 81 PHE HE1 H 7.159 0.02 3 713 266 81 PHE HZ H 7.177 0.02 1 714 266 81 PHE CA C 61.756 0.2 1 715 266 81 PHE CB C 39.697 0.2 1 716 266 81 PHE CD1 C 131.373 0.2 3 717 266 81 PHE CE1 C 131.311 0.2 3 718 266 81 PHE CZ C 129.669 0.2 1 719 266 81 PHE N N 118.340 0.1 1 720 267 82 GLN H H 8.477 0.02 1 721 267 82 GLN HA H 3.616 0.02 1 722 267 82 GLN HB2 H 1.344 0.02 2 723 267 82 GLN HB3 H 1.652 0.02 2 724 267 82 GLN HG2 H 2.257 0.02 2 725 267 82 GLN HG3 H 0.432 0.02 2 726 267 82 GLN HE21 H 7.627 0.02 2 727 267 82 GLN HE22 H 6.666 0.02 2 728 267 82 GLN CA C 57.600 0.2 1 729 267 82 GLN CB C 26.557 0.2 1 730 267 82 GLN CG C 31.349 0.2 1 731 267 82 GLN N N 116.594 0.1 1 732 267 82 GLN NE2 N 110.835 0.1 1 733 268 83 LEU H H 7.802 0.02 1 734 268 83 LEU HA H 3.883 0.02 1 735 268 83 LEU HB2 H 1.624 0.02 2 736 268 83 LEU HB3 H 2.382 0.02 2 737 268 83 LEU HG H 1.350 0.02 1 738 268 83 LEU HD1 H 1.130 0.02 2 739 268 83 LEU HD2 H 0.980 0.02 2 740 268 83 LEU CA C 58.803 0.2 1 741 268 83 LEU CB C 40.512 0.2 1 742 268 83 LEU CG C 27.400 0.2 1 743 268 83 LEU CD1 C 26.700 0.2 1 744 268 83 LEU CD2 C 25.000 0.2 1 745 268 83 LEU N N 121.289 0.1 1 746 269 84 LEU H H 7.038 0.02 1 747 269 84 LEU HA H 4.018 0.02 1 748 269 84 LEU HB2 H 1.180 0.02 2 749 269 84 LEU HB3 H 1.630 0.02 2 750 269 84 LEU HG H 1.523 0.02 1 751 269 84 LEU HD1 H 0.337 0.02 2 752 269 84 LEU HD2 H 0.153 0.02 2 753 269 84 LEU CA C 56.417 0.2 1 754 269 84 LEU CB C 40.670 0.2 1 755 269 84 LEU CG C 26.400 0.2 1 756 269 84 LEU CD1 C 27.278 0.2 1 757 269 84 LEU CD2 C 22.234 0.2 1 758 269 84 LEU N N 115.070 0.1 1 759 270 85 ARG H H 8.393 0.02 1 760 270 85 ARG HA H 3.661 0.02 1 761 270 85 ARG HB2 H 1.383 0.02 2 762 270 85 ARG HB3 H 1.625 0.02 2 763 270 85 ARG HG2 H 1.320 0.02 2 764 270 85 ARG HG3 H 1.200 0.02 2 765 270 85 ARG HD2 H 2.930 0.02 2 766 270 85 ARG HD3 H 2.870 0.02 2 767 270 85 ARG CA C 59.319 0.2 1 768 270 85 ARG CB C 29.000 0.2 1 769 270 85 ARG CG C 26.553 0.2 1 770 270 85 ARG CD C 42.600 0.2 1 771 270 85 ARG N N 120.906 0.1 1 772 271 86 ARG H H 8.147 0.02 1 773 271 86 ARG HA H 3.999 0.02 1 774 271 86 ARG HB2 H 1.960 0.02 2 775 271 86 ARG HB3 H 1.840 0.02 2 776 271 86 ARG HG2 H 1.699 0.02 2 777 271 86 ARG HG3 H 1.699 0.02 2 778 271 86 ARG HD2 H 3.168 0.02 2 779 271 86 ARG HD3 H 3.168 0.02 2 780 271 86 ARG HE H 7.375 0.02 1 781 271 86 ARG CA C 58.539 0.2 1 782 271 86 ARG CB C 29.090 0.2 1 783 271 86 ARG CG C 27.473 0.2 1 784 271 86 ARG CD C 42.647 0.2 1 785 271 86 ARG N N 118.591 0.1 1 786 271 86 ARG NE N 83.761 0.1 1 787 272 87 PHE H H 7.844 0.02 1 788 272 87 PHE HA H 4.304 0.02 1 789 272 87 PHE HB2 H 3.263 0.02 2 790 272 87 PHE HB3 H 3.040 0.02 2 791 272 87 PHE HD1 H 7.104 0.02 3 792 272 87 PHE HE1 H 7.044 0.02 3 793 272 87 PHE HZ H 6.944 0.02 1 794 272 87 PHE CA C 60.275 0.2 1 795 272 87 PHE CB C 39.958 0.2 1 796 272 87 PHE CD1 C 131.916 0.2 3 797 272 87 PHE CE1 C 130.675 0.2 3 798 272 87 PHE CZ C 128.935 0.2 1 799 272 87 PHE N N 120.110 0.1 1 800 273 88 VAL H H 8.635 0.02 1 801 273 88 VAL HA H 3.223 0.02 1 802 273 88 VAL HB H 1.967 0.02 1 803 273 88 VAL HG1 H 0.832 0.02 2 804 273 88 VAL HG2 H 0.904 0.02 2 805 273 88 VAL CA C 65.991 0.2 1 806 273 88 VAL CB C 31.584 0.2 1 807 273 88 VAL CG1 C 21.068 0.2 1 808 273 88 VAL CG2 C 23.200 0.2 1 809 273 88 VAL N N 118.693 0.1 1 810 274 89 GLN H H 8.401 0.02 1 811 274 89 GLN HA H 3.858 0.02 1 812 274 89 GLN HB2 H 2.120 0.02 2 813 274 89 GLN HB3 H 2.020 0.02 2 814 274 89 GLN HG2 H 2.438 0.02 2 815 274 89 GLN HG3 H 2.281 0.02 2 816 274 89 GLN HE21 H 6.702 0.02 2 817 274 89 GLN HE22 H 7.366 0.02 2 818 274 89 GLN CA C 58.886 0.2 1 819 274 89 GLN CB C 28.555 0.2 1 820 274 89 GLN CG C 33.900 0.2 1 821 274 89 GLN N N 120.471 0.1 1 822 274 89 GLN NE2 N 110.953 0.1 1 823 275 90 ALA H H 7.764 0.02 1 824 275 90 ALA HA H 4.121 0.02 1 825 275 90 ALA HB H 1.378 0.02 1 826 275 90 ALA CA C 54.281 0.2 1 827 275 90 ALA CB C 20.069 0.2 1 828 275 90 ALA N N 118.425 0.1 1 829 276 91 GLU H H 7.943 0.02 1 830 276 91 GLU HA H 4.182 0.02 1 831 276 91 GLU HB2 H 1.240 0.02 2 832 276 91 GLU HB3 H 1.577 0.02 2 833 276 91 GLU HG2 H 2.094 0.02 2 834 276 91 GLU HG3 H 1.797 0.02 2 835 276 91 GLU CA C 55.484 0.2 1 836 276 91 GLU CB C 31.322 0.2 1 837 276 91 GLU CG C 36.980 0.2 1 838 276 91 GLU N N 112.962 0.1 1 839 277 92 GLY H H 8.388 0.02 1 840 277 92 GLY HA2 H 3.820 0.02 2 841 277 92 GLY HA3 H 3.740 0.02 2 842 277 92 GLY CA C 46.811 0.2 1 843 277 92 GLY N N 112.366 0.1 1 844 278 93 ARG H H 9.087 0.02 1 845 278 93 ARG HA H 4.005 0.02 1 846 278 93 ARG HB2 H 1.792 0.02 2 847 278 93 ARG HB3 H 1.792 0.02 2 848 278 93 ARG HG2 H 1.644 0.02 2 849 278 93 ARG HG3 H 1.644 0.02 2 850 278 93 ARG HD2 H 3.186 0.02 2 851 278 93 ARG HD3 H 3.186 0.02 2 852 278 93 ARG CA C 57.946 0.2 1 853 278 93 ARG CB C 29.458 0.2 1 854 278 93 ARG CG C 27.295 0.2 1 855 278 93 ARG CD C 43.296 0.2 1 856 278 93 ARG N N 127.224 0.1 1 857 279 94 ARG H H 7.811 0.02 1 858 279 94 ARG HA H 4.179 0.02 1 859 279 94 ARG HB2 H 1.930 0.02 2 860 279 94 ARG HB3 H 1.930 0.02 2 861 279 94 ARG HG2 H 1.678 0.02 2 862 279 94 ARG HG3 H 1.678 0.02 2 863 279 94 ARG HD2 H 3.270 0.02 2 864 279 94 ARG HD3 H 3.210 0.02 2 865 279 94 ARG CA C 56.507 0.2 1 866 279 94 ARG CB C 29.122 0.2 1 867 279 94 ARG CG C 28.111 0.2 1 868 279 94 ARG CD C 43.200 0.2 1 869 279 94 ARG N N 114.428 0.1 1 870 280 95 ALA H H 7.942 0.02 1 871 280 95 ALA HA H 3.994 0.02 1 872 280 95 ALA HB H 0.905 0.02 1 873 280 95 ALA CA C 50.780 0.2 1 874 280 95 ALA CB C 17.479 0.2 1 875 280 95 ALA N N 126.820 0.1 1 876 281 96 THR H H 7.022 0.02 1 877 281 96 THR HA H 4.660 0.02 1 878 281 96 THR HB H 4.700 0.02 1 879 281 96 THR HG2 H 1.010 0.02 1 880 281 96 THR CA C 59.654 0.2 1 881 281 96 THR CB C 71.722 0.2 1 882 281 96 THR CG2 C 21.781 0.2 1 883 281 96 THR N N 111.896 0.1 1 884 282 97 LEU H H 8.884 0.02 1 885 282 97 LEU HA H 3.983 0.02 1 886 282 97 LEU HB2 H 1.553 0.02 2 887 282 97 LEU HB3 H 2.119 0.02 2 888 282 97 LEU HG H 1.579 0.02 1 889 282 97 LEU HD1 H 0.815 0.02 2 890 282 97 LEU HD2 H 1.010 0.02 2 891 282 97 LEU CA C 57.786 0.2 1 892 282 97 LEU CB C 43.399 0.2 1 893 282 97 LEU CG C 26.800 0.2 1 894 282 97 LEU CD1 C 22.900 0.2 1 895 282 97 LEU CD2 C 26.100 0.2 1 896 282 97 LEU N N 120.692 0.1 1 897 283 98 GLN H H 8.254 0.02 1 898 283 98 GLN HA H 2.640 0.02 1 899 283 98 GLN HB2 H 0.868 0.02 2 900 283 98 GLN HB3 H 1.369 0.02 2 901 283 98 GLN HG2 H 1.339 0.02 2 902 283 98 GLN HG3 H 1.635 0.02 2 903 283 98 GLN HE21 H 7.381 0.02 2 904 283 98 GLN HE22 H 6.644 0.02 2 905 283 98 GLN CA C 59.504 0.2 1 906 283 98 GLN CB C 28.108 0.2 1 907 283 98 GLN CG C 31.939 0.2 1 908 283 98 GLN N N 116.638 0.1 1 909 283 98 GLN NE2 N 110.572 0.1 1 910 284 99 ARG H H 7.115 0.02 1 911 284 99 ARG HA H 3.892 0.02 1 912 284 99 ARG HB2 H 1.940 0.02 2 913 284 99 ARG HB3 H 1.880 0.02 2 914 284 99 ARG HG2 H 1.730 0.02 2 915 284 99 ARG HG3 H 1.870 0.02 2 916 284 99 ARG HD2 H 3.370 0.02 2 917 284 99 ARG HD3 H 3.510 0.02 2 918 284 99 ARG HE H 7.522 0.02 1 919 284 99 ARG CA C 58.775 0.2 1 920 284 99 ARG CB C 31.149 0.2 1 921 284 99 ARG CG C 26.953 0.2 1 922 284 99 ARG CD C 44.800 0.2 1 923 284 99 ARG N N 115.450 0.1 1 924 284 99 ARG NE N 83.243 0.1 1 925 285 100 LEU H H 7.505 0.02 1 926 285 100 LEU HA H 3.948 0.02 1 927 285 100 LEU HB2 H 1.918 0.02 2 928 285 100 LEU HB3 H 1.096 0.02 2 929 285 100 LEU HG H 1.334 0.02 1 930 285 100 LEU HD1 H 0.584 0.02 2 931 285 100 LEU HD2 H 0.399 0.02 2 932 285 100 LEU CA C 57.500 0.2 1 933 285 100 LEU CB C 42.600 0.2 1 934 285 100 LEU CG C 27.400 0.2 1 935 285 100 LEU CD1 C 27.100 0.2 1 936 285 100 LEU CD2 C 22.460 0.2 1 937 285 100 LEU N N 118.394 0.1 1 938 286 101 VAL H H 8.987 0.02 1 939 286 101 VAL HA H 3.410 0.02 1 940 286 101 VAL HB H 2.067 0.02 1 941 286 101 VAL HG1 H 0.962 0.02 2 942 286 101 VAL HG2 H 0.940 0.02 2 943 286 101 VAL CA C 67.600 0.2 1 944 286 101 VAL CB C 30.965 0.2 1 945 286 101 VAL CG1 C 22.100 0.2 1 946 286 101 VAL CG2 C 23.700 0.2 1 947 286 101 VAL N N 118.755 0.1 1 948 287 102 GLU H H 8.350 0.02 1 949 287 102 GLU HA H 4.126 0.02 1 950 287 102 GLU HB2 H 1.990 0.02 2 951 287 102 GLU HB3 H 2.060 0.02 2 952 287 102 GLU HG2 H 2.489 0.02 2 953 287 102 GLU HG3 H 2.312 0.02 2 954 287 102 GLU CA C 59.775 0.2 1 955 287 102 GLU CB C 28.541 0.2 1 956 287 102 GLU CG C 36.018 0.2 1 957 287 102 GLU N N 119.385 0.1 1 958 288 103 ALA H H 7.200 0.02 1 959 288 103 ALA HA H 4.119 0.02 1 960 288 103 ALA HB H 1.398 0.02 1 961 288 103 ALA CA C 54.923 0.2 1 962 288 103 ALA CB C 18.652 0.2 1 963 288 103 ALA N N 120.874 0.1 1 964 289 104 LEU H H 8.520 0.02 1 965 289 104 LEU HA H 4.035 0.02 1 966 289 104 LEU HB2 H 2.164 0.02 2 967 289 104 LEU HB3 H 1.634 0.02 2 968 289 104 LEU HG H 2.086 0.02 1 969 289 104 LEU HD1 H 1.066 0.02 2 970 289 104 LEU HD2 H 0.811 0.02 2 971 289 104 LEU CA C 58.376 0.2 1 972 289 104 LEU CB C 39.947 0.2 1 973 289 104 LEU CG C 26.226 0.2 1 974 289 104 LEU CD1 C 24.350 0.2 1 975 289 104 LEU CD2 C 26.700 0.2 1 976 289 104 LEU N N 119.592 0.1 1 977 290 105 GLU H H 8.939 0.02 1 978 290 105 GLU HA H 3.995 0.02 1 979 290 105 GLU HB2 H 2.220 0.02 2 980 290 105 GLU HB3 H 2.350 0.02 2 981 290 105 GLU HG2 H 2.475 0.02 2 982 290 105 GLU HG3 H 2.673 0.02 2 983 290 105 GLU CA C 59.637 0.2 1 984 290 105 GLU CB C 29.068 0.2 1 985 290 105 GLU CG C 34.581 0.2 1 986 290 105 GLU N N 121.242 0.1 1 987 291 106 GLU H H 7.946 0.02 1 988 291 106 GLU HA H 4.170 0.02 1 989 291 106 GLU HB2 H 2.160 0.02 2 990 291 106 GLU HB3 H 2.082 0.02 2 991 291 106 GLU HG2 H 2.462 0.02 2 992 291 106 GLU HG3 H 2.341 0.02 2 993 291 106 GLU CA C 58.250 0.2 1 994 291 106 GLU CB C 29.569 0.2 1 995 291 106 GLU CG C 35.910 0.2 1 996 291 106 GLU N N 118.693 0.1 1 997 292 107 ASN H H 7.127 0.02 1 998 292 107 ASN HA H 4.893 0.02 1 999 292 107 ASN HB2 H 2.833 0.02 2 1000 292 107 ASN HB3 H 2.253 0.02 2 1001 292 107 ASN CA C 53.649 0.2 1 1002 292 107 ASN CB C 40.832 0.2 1 1003 292 107 ASN N N 114.706 0.1 1 1004 293 108 GLU H H 7.926 0.02 1 1005 293 108 GLU HA H 4.062 0.02 1 1006 293 108 GLU HB2 H 2.253 0.02 2 1007 293 108 GLU HB3 H 2.372 0.02 2 1008 293 108 GLU HG2 H 2.303 0.02 2 1009 293 108 GLU HG3 H 2.303 0.02 2 1010 293 108 GLU CA C 57.662 0.2 1 1011 293 108 GLU CB C 25.945 0.2 1 1012 293 108 GLU CG C 35.475 0.2 1 1013 293 108 GLU N N 112.280 0.1 1 1014 294 109 LEU H H 8.000 0.02 1 1015 294 109 LEU HA H 4.955 0.02 1 1016 294 109 LEU HB2 H 1.800 0.02 2 1017 294 109 LEU HB3 H 1.650 0.02 2 1018 294 109 LEU HG H 1.638 0.02 1 1019 294 109 LEU HD1 H 0.817 0.02 2 1020 294 109 LEU HD2 H 0.936 0.02 2 1021 294 109 LEU CA C 53.298 0.2 1 1022 294 109 LEU CB C 41.140 0.2 1 1023 294 109 LEU CG C 25.700 0.2 1 1024 294 109 LEU CD1 C 28.000 0.2 1 1025 294 109 LEU CD2 C 23.500 0.2 1 1026 294 109 LEU N N 120.925 0.1 1 1027 295 110 THR H H 7.645 0.02 1 1028 295 110 THR HA H 3.774 0.02 1 1029 295 110 THR HB H 4.140 0.02 1 1030 295 110 THR HG2 H 1.293 0.02 1 1031 295 110 THR CA C 67.057 0.2 1 1032 295 110 THR CB C 68.330 0.2 1 1033 295 110 THR CG2 C 22.700 0.2 1 1034 295 110 THR N N 116.508 0.1 1 1035 296 111 SER H H 8.728 0.02 1 1036 296 111 SER HA H 4.202 0.02 1 1037 296 111 SER HB2 H 3.918 0.02 2 1038 296 111 SER HB3 H 3.918 0.02 2 1039 296 111 SER CA C 61.681 0.2 1 1040 296 111 SER CB C 61.743 0.2 1 1041 296 111 SER N N 117.060 0.1 1 1042 297 112 LEU H H 7.442 0.02 1 1043 297 112 LEU HA H 4.305 0.02 1 1044 297 112 LEU HB2 H 1.913 0.02 2 1045 297 112 LEU HB3 H 1.665 0.02 2 1046 297 112 LEU HG H 1.684 0.02 1 1047 297 112 LEU HD1 H 0.944 0.02 2 1048 297 112 LEU HD2 H 0.998 0.02 2 1049 297 112 LEU CA C 57.282 0.2 1 1050 297 112 LEU CB C 41.472 0.2 1 1051 297 112 LEU CG C 28.000 0.2 1 1052 297 112 LEU CD1 C 25.600 0.2 1 1053 297 112 LEU CD2 C 23.800 0.2 1 1054 297 112 LEU N N 124.429 0.1 1 1055 298 113 ALA H H 7.776 0.02 1 1056 298 113 ALA HA H 3.732 0.02 1 1057 298 113 ALA HB H 1.444 0.02 1 1058 298 113 ALA CA C 55.704 0.2 1 1059 298 113 ALA CB C 18.123 0.2 1 1060 298 113 ALA N N 120.775 0.1 1 1061 299 114 GLU H H 8.322 0.02 1 1062 299 114 GLU HA H 3.647 0.02 1 1063 299 114 GLU HB2 H 2.347 0.02 2 1064 299 114 GLU HB3 H 2.059 0.02 2 1065 299 114 GLU HG2 H 2.734 0.02 2 1066 299 114 GLU HG3 H 2.436 0.02 2 1067 299 114 GLU CA C 59.751 0.2 1 1068 299 114 GLU CB C 27.745 0.2 1 1069 299 114 GLU CG C 34.464 0.2 1 1070 299 114 GLU N N 114.971 0.1 1 1071 300 115 ASP H H 7.858 0.02 1 1072 300 115 ASP HA H 4.414 0.02 1 1073 300 115 ASP HB2 H 2.960 0.02 2 1074 300 115 ASP HB3 H 2.762 0.02 2 1075 300 115 ASP CA C 56.600 0.2 1 1076 300 115 ASP CB C 39.534 0.2 1 1077 300 115 ASP N N 119.631 0.1 1 1078 301 116 LEU H H 8.086 0.02 1 1079 301 116 LEU HA H 4.023 0.02 1 1080 301 116 LEU HB2 H 1.846 0.02 2 1081 301 116 LEU HB3 H 1.305 0.02 2 1082 301 116 LEU HG H 1.814 0.02 1 1083 301 116 LEU HD1 H 0.746 0.02 2 1084 301 116 LEU HD2 H 0.898 0.02 2 1085 301 116 LEU CA C 57.563 0.2 1 1086 301 116 LEU CB C 42.087 0.2 1 1087 301 116 LEU CG C 27.133 0.2 1 1088 301 116 LEU CD1 C 27.100 0.2 1 1089 301 116 LEU CD2 C 24.600 0.2 1 1090 301 116 LEU N N 119.662 0.1 1 1091 302 117 LEU H H 7.712 0.02 1 1092 302 117 LEU HA H 4.056 0.02 1 1093 302 117 LEU HB2 H 1.591 0.02 2 1094 302 117 LEU HB3 H 1.440 0.02 2 1095 302 117 LEU HG H 1.640 0.02 1 1096 302 117 LEU HD1 H 0.224 0.02 2 1097 302 117 LEU HD2 H 0.733 0.02 2 1098 302 117 LEU CA C 55.731 0.2 1 1099 302 117 LEU CB C 42.276 0.2 1 1100 302 117 LEU CG C 26.565 0.2 1 1101 302 117 LEU CD1 C 25.446 0.2 1 1102 302 117 LEU CD2 C 24.197 0.2 1 1103 302 117 LEU N N 116.388 0.1 1 1104 303 118 GLY H H 7.789 0.02 1 1105 303 118 GLY HA2 H 3.960 0.02 2 1106 303 118 GLY HA3 H 3.960 0.02 2 1107 303 118 GLY CA C 45.973 0.2 1 1108 303 118 GLY N N 107.413 0.1 1 1109 304 119 LEU H H 7.793 0.02 1 1110 304 119 LEU HA H 4.351 0.02 1 1111 304 119 LEU HB2 H 1.582 0.02 2 1112 304 119 LEU HB3 H 1.582 0.02 2 1113 304 119 LEU HG H 1.611 0.02 1 1114 304 119 LEU HD1 H 0.905 0.02 2 1115 304 119 LEU HD2 H 0.805 0.02 2 1116 304 119 LEU CA C 54.916 0.2 1 1117 304 119 LEU CB C 42.434 0.2 1 1118 304 119 LEU CG C 26.578 0.2 1 1119 304 119 LEU CD1 C 25.965 0.2 1 1120 304 119 LEU CD2 C 22.600 0.2 1 1121 304 119 LEU N N 119.480 0.1 1 1122 305 120 THR H H 7.787 0.02 1 1123 305 120 THR HA H 4.261 0.02 1 1124 305 120 THR HB H 4.141 0.02 1 1125 305 120 THR HG2 H 1.104 0.02 1 1126 305 120 THR CA C 61.378 0.2 1 1127 305 120 THR CB C 69.779 0.2 1 1128 305 120 THR CG2 C 21.748 0.2 1 1129 305 120 THR N N 112.514 0.1 1 1130 306 121 ASP H H 8.292 0.02 1 1131 306 121 ASP HA H 4.878 0.02 1 1132 306 121 ASP HB2 H 2.734 0.02 2 1133 306 121 ASP HB3 H 2.614 0.02 2 1134 306 121 ASP CA C 51.745 0.2 1 1135 306 121 ASP CB C 40.910 0.2 1 1136 306 121 ASP N N 123.042 0.1 1 1137 307 122 PRO HA H 4.378 0.02 1 1138 307 122 PRO HB2 H 1.929 0.02 2 1139 307 122 PRO HB3 H 2.254 0.02 2 1140 307 122 PRO HG2 H 1.957 0.02 2 1141 307 122 PRO HG3 H 1.957 0.02 2 1142 307 122 PRO HD2 H 3.802 0.02 2 1143 307 122 PRO HD3 H 3.802 0.02 2 1144 307 122 PRO CA C 63.970 0.2 1 1145 307 122 PRO CB C 32.004 0.2 1 1146 307 122 PRO CG C 27.098 0.2 1 1147 307 122 PRO CD C 50.819 0.2 1 1148 308 123 ASN H H 8.446 0.02 1 1149 308 123 ASN HA H 4.721 0.02 1 1150 308 123 ASN HB2 H 2.864 0.02 2 1151 308 123 ASN HB3 H 2.746 0.02 2 1152 308 123 ASN HD21 H 7.687 0.02 2 1153 308 123 ASN HD22 H 6.898 0.02 2 1154 308 123 ASN CA C 53.327 0.2 1 1155 308 123 ASN CB C 38.884 0.2 1 1156 308 123 ASN N N 117.127 0.1 1 1157 308 123 ASN ND2 N 113.644 0.1 1 1158 309 124 GLY H H 8.087 0.02 1 1159 309 124 GLY HA2 H 3.931 0.02 2 1160 309 124 GLY HA3 H 3.931 0.02 2 1161 309 124 GLY CA C 45.900 0.2 1 1162 309 124 GLY N N 108.674 0.1 1 1163 310 125 GLY H H 8.226 0.02 1 1164 310 125 GLY HA2 H 3.930 0.02 2 1165 310 125 GLY HA3 H 3.930 0.02 2 1166 310 125 GLY CA C 45.200 0.2 1 1167 310 125 GLY N N 108.447 0.1 1 1168 311 126 LEU H H 7.985 0.02 1 1169 311 126 LEU HA H 4.338 0.02 1 1170 311 126 LEU HB2 H 1.587 0.02 2 1171 311 126 LEU HB3 H 1.587 0.02 2 1172 311 126 LEU HD1 H 0.850 0.02 2 1173 311 126 LEU HD2 H 0.830 0.02 2 1174 311 126 LEU CA C 55.016 0.2 1 1175 311 126 LEU CB C 42.440 0.2 1 1176 311 126 LEU CD1 C 25.000 0.2 1 1177 311 126 LEU CD2 C 23.395 0.2 1 1178 311 126 LEU N N 121.587 0.1 1 1179 312 127 ALA H H 7.913 0.02 1 1180 312 127 ALA HA H 4.114 0.02 1 1181 312 127 ALA HB H 1.288 0.02 1 1182 312 127 ALA CA C 53.400 0.2 1 1183 312 127 ALA CB C 20.010 0.2 1 1184 312 127 ALA N N 129.314 0.1 1 stop_ save_