data_16923 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Smurf2 WW2 and WW3 bound to Smad7 PY peptide Smad7 PY motif containing peptide ; _BMRB_accession_number 16923 _BMRB_flat_file_name bmr16923.str _Entry_type original _Submission_date 2010-05-11 _Accession_date 2010-05-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Solution Structure of Smurf2 WW2 and WW3 bound to bound to Smad7 PY peptide Smad7 PY motif containing peptide ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chong Andrew . . 2 Lin Hong . . 3 Wrana Jeff . . 4 Forman-Kay Julie D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 630 "13C chemical shifts" 369 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-11-09 update BMRB 'update entry citation' 2010-10-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Coupling of tandem Smad ubiquitination regulatory factor (Smurf) WW domains modulates target specificity.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20937913 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chong 'P. Andrew' . . 2 Lin Hong . . 3 Wrana Jeffrey L. . 4 Forman-Kay Julie D. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 107 _Journal_issue 43 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18404 _Page_last 18409 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Smurf2 WW2 and WW3 bound to Smad7 PY' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $WW23 entity_2 $S7PY 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_WW23 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common WW23 _Molecular_mass 10114.108 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; GPLGGSPPDLPEGYEQRTTQ QGQVYFLHTQTGVSTWHDPR VPRDLSNINCEELGPLPPGW EIRNTATGRVYFVDHNNRTT QFTDPRLSAN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 244 GLY 2 245 PRO 3 246 LEU 4 247 GLY 5 248 GLY 6 249 SER 7 250 PRO 8 251 PRO 9 252 ASP 10 253 LEU 11 254 PRO 12 255 GLU 13 256 GLY 14 257 TYR 15 258 GLU 16 259 GLN 17 260 ARG 18 261 THR 19 262 THR 20 263 GLN 21 264 GLN 22 265 GLY 23 266 GLN 24 267 VAL 25 268 TYR 26 269 PHE 27 270 LEU 28 271 HIS 29 272 THR 30 273 GLN 31 274 THR 32 275 GLY 33 276 VAL 34 277 SER 35 278 THR 36 279 TRP 37 280 HIS 38 281 ASP 39 282 PRO 40 283 ARG 41 284 VAL 42 285 PRO 43 286 ARG 44 287 ASP 45 288 LEU 46 289 SER 47 290 ASN 48 291 ILE 49 292 ASN 50 293 CYS 51 294 GLU 52 295 GLU 53 296 LEU 54 297 GLY 55 298 PRO 56 299 LEU 57 300 PRO 58 301 PRO 59 302 GLY 60 303 TRP 61 304 GLU 62 305 ILE 63 306 ARG 64 307 ASN 65 308 THR 66 309 ALA 67 310 THR 68 311 GLY 69 312 ARG 70 313 VAL 71 314 TYR 72 315 PHE 73 316 VAL 74 317 ASP 75 318 HIS 76 319 ASN 77 320 ASN 78 321 ARG 79 322 THR 80 323 THR 81 324 GLN 82 325 PHE 83 326 THR 84 327 ASP 85 328 PRO 86 329 ARG 87 330 LEU 88 331 SER 89 332 ALA 90 333 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KXQ "Solution Structure Of Smurf2 Ww2 And Ww3 Bound To Smad7 Py Motif Containing Peptide" 100.00 90 100.00 100.00 1.17e-58 EMBL CDQ73841 "unnamed protein product [Oncorhynchus mykiss]" 94.44 467 97.65 100.00 2.93e-51 GB EAW94194 "SMAD specific E3 ubiquitin protein ligase 2, isoform CRA_b [Homo sapiens]" 94.44 507 98.82 100.00 8.22e-52 GB ELW67486 "E3 ubiquitin-protein ligase SMURF2 [Tupaia chinensis]" 52.22 574 100.00 100.00 4.93e-23 GB ERE69223 "E3 ubiquitin-protein ligase [Cricetulus griseus]" 94.44 774 98.82 100.00 7.71e-51 GB ETE71876 "E3 ubiquitin-protein ligase SMURF2, partial [Ophiophagus hannah]" 94.44 360 98.82 100.00 8.13e-53 GB KFQ44520 "E3 ubiquitin-protein ligase SMURF2, partial [Nestor notabilis]" 53.33 468 100.00 100.00 3.41e-24 REF XP_004946261 "PREDICTED: E3 ubiquitin-protein ligase SMURF2 isoform X3 [Gallus gallus]" 94.44 512 98.82 100.00 8.89e-52 REF XP_005056211 "PREDICTED: E3 ubiquitin-protein ligase SMURF2 [Ficedula albicollis]" 94.44 512 98.82 100.00 6.44e-52 REF XP_005738172 "PREDICTED: E3 ubiquitin-protein ligase SMURF2-like [Pundamilia nyererei]" 92.22 798 98.80 100.00 1.69e-49 REF XP_006534001 "PREDICTED: E3 ubiquitin-protein ligase SMURF2 isoform X3 [Mus musculus]" 94.44 507 98.82 100.00 9.03e-52 REF XP_006912359 "PREDICTED: E3 ubiquitin-protein ligase SMURF2 [Pteropus alecto]" 94.44 507 98.82 100.00 8.57e-52 stop_ save_ save_S7PY _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common S7PY _Molecular_mass 2190.426 _Mol_thiol_state 'not present' _Details . _Residue_count 20 _Mol_residue_sequence ; GPLGSELESPPPPYSRYPMD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 198 GLY 2 199 PRO 3 200 LEU 4 201 GLY 5 202 SER 6 203 GLU 7 204 LEU 8 205 GLU 9 206 SER 10 207 PRO 11 208 PRO 12 209 PRO 13 210 PRO 14 211 TYR 15 212 SER 16 213 ARG 17 214 TYR 18 215 PRO 19 216 MET 20 217 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2DJY "Solution Structure Of Smurf2 Ww3 Domain-Smad7 Py Peptide Complex" 100.00 20 100.00 100.00 1.20e-03 PDB 2KXQ "Solution Structure Of Smurf2 Ww2 And Ww3 Bound To Smad7 Py Motif Containing Peptide" 100.00 20 100.00 100.00 1.20e-03 stop_ 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 $WW23 Human 9606 Eukaryota Metazoa Homo sapiens Smurf2 $S7PY Human 9606 Eukaryota Metazoa Homo sapiens Smad7 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 $WW23 'recombinant technology' . Escherichia coli 'BL21DE3 cp' PGEX6P1 $S7PY 'recombinant technology' . Escherichia coli 'BL21DE3 cp' PGEX6P1 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 $WW23 1.2 mM '[U-100% 13C; U-100% 15N]' $S7PY 1.2 mM '[U-100% 13C; U-100% 15N]' NaCl 20 mM 'natural abundance' NaPi 40 mM 'natural abundance' EDTA 1 mM 'natural abundance' NaAzide 0.05 % 'natural abundance' Benzamidine 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'AT Brunger et al.' 'Yale University' . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_NC-NOESY_(N_and_C_simultaneous)_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NC-NOESY (N and C simultaneous)' _Sample_label $sample_1 save_ save_HACAN_5 _Saveframe_category NMR_applied_experiment _Experiment_name HACAN _Sample_label $sample_1 save_ save_3D_CCC-TOCSY-NNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCC-TOCSY-NNH' _Sample_label $sample_1 save_ save_HBCBCGCDHD_ARO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD_ARO _Sample_label $sample_1 save_ save_HBCBCGCDCDHE_ARO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDCDHE_ARO _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 20 mM NaCl 40 mM NaPi, pH 7.2 1 mM EDTA 0.05 % NaAzide 0.5 mM Benzamidine ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 235 . mM pH 7.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio acetate C 13 'methyl carbon' ppm 25.85 na direct . . . 1.0 water H 1 protons ppm 4.773 internal direct . . . 1.0 urea N 15 nitrogen ppm 110 na direct . . . 1.0 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 CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D CCC-TOCSY-NNH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 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 1 244 1 GLY HA2 H 3.563 . 2 2 244 1 GLY HA3 H 3.915 . 2 3 244 1 GLY CA C 43.480 . 1 4 245 2 PRO HA H 4.481 . 1 5 245 2 PRO HB2 H 1.956 . 2 6 245 2 PRO HB3 H 2.316 . 2 7 245 2 PRO HD2 H 3.570 . 2 8 245 2 PRO HD3 H 3.570 . 2 9 245 2 PRO HG2 H 1.998 . 2 10 245 2 PRO HG3 H 1.998 . 2 11 245 2 PRO CA C 62.895 . 1 12 245 2 PRO CB C 32.349 . 1 13 245 2 PRO CD C 49.539 . 1 14 245 2 PRO CG C 27.219 . 1 15 245 2 PRO N N 133.660 . 1 16 246 3 LEU H H 8.554 . 1 17 246 3 LEU HA H 4.384 . 1 18 246 3 LEU HB2 H 1.670 . 2 19 246 3 LEU HB3 H 1.670 . 2 20 246 3 LEU HD1 H 0.920 . 2 21 246 3 LEU HD2 H 0.920 . 2 22 246 3 LEU HG H 1.664 . 1 23 246 3 LEU CA C 55.259 . 1 24 246 3 LEU CB C 42.000 . 1 25 246 3 LEU CD1 C 24.905 . 1 26 246 3 LEU CD2 C 23.453 . 1 27 246 3 LEU CG C 27.057 . 1 28 246 3 LEU N N 122.600 . 1 29 247 4 GLY H H 8.406 . 1 30 247 4 GLY HA2 H 3.981 . 2 31 247 4 GLY HA3 H 4.058 . 2 32 247 4 GLY CA C 45.218 . 1 33 247 4 GLY N N 110.111 . 1 34 248 5 GLY HA2 H 4.010 . 2 35 248 5 GLY HA3 H 4.010 . 2 36 248 5 GLY CA C 44.922 . 1 37 249 6 SER H H 8.239 . 1 38 249 6 SER HA H 4.795 . 1 39 249 6 SER HB2 H 3.779 . 2 40 249 6 SER HB3 H 3.896 . 2 41 249 6 SER CA C 56.530 . 1 42 249 6 SER CB C 63.040 . 1 43 249 6 SER N N 117.282 . 1 44 250 7 PRO HA H 4.715 . 1 45 250 7 PRO HB2 H 1.945 . 2 46 250 7 PRO HB3 H 2.378 . 2 47 250 7 PRO HD2 H 3.697 . 2 48 250 7 PRO HD3 H 3.878 . 2 49 250 7 PRO HG2 H 2.075 . 2 50 250 7 PRO CA C 61.400 . 1 51 250 7 PRO CB C 30.892 . 1 52 250 7 PRO CG C 27.365 . 1 53 250 7 PRO N N 139.590 . 1 54 251 8 PRO HA H 4.454 . 1 55 251 8 PRO HB2 H 1.949 . 2 56 251 8 PRO HB3 H 2.286 . 2 57 251 8 PRO HD2 H 3.792 . 2 58 251 8 PRO HD3 H 3.680 . 2 59 251 8 PRO HG2 H 2.040 . 2 60 251 8 PRO HG3 H 1.973 . 2 61 251 8 PRO CA C 62.895 . 1 62 251 8 PRO CB C 31.925 . 1 63 251 8 PRO CD C 50.324 . 1 64 251 8 PRO CG C 27.293 . 1 65 251 8 PRO N N 135.359 . 1 66 252 9 ASP H H 8.290 . 1 67 252 9 ASP HA H 4.603 . 1 68 252 9 ASP HB2 H 2.545 . 2 69 252 9 ASP HB3 H 2.718 . 2 70 252 9 ASP CA C 53.867 . 1 71 252 9 ASP CB C 41.000 . 1 72 252 9 ASP N N 120.049 . 1 73 253 10 LEU H H 8.330 . 1 74 253 10 LEU HA H 4.328 . 1 75 253 10 LEU HB2 H 1.745 . 2 76 253 10 LEU HB3 H 1.476 . 2 77 253 10 LEU HD1 H 1.042 . 2 78 253 10 LEU HD2 H 0.873 . 2 79 253 10 LEU CA C 53.330 . 1 80 253 10 LEU CB C 41.540 . 1 81 253 10 LEU CD1 C 26.086 . 1 82 253 10 LEU CD2 C 24.129 . 1 83 253 10 LEU N N 122.353 . 1 84 254 11 PRO HA H 4.459 . 1 85 254 11 PRO HB2 H 1.998 . 2 86 254 11 PRO HB3 H 2.410 . 2 87 254 11 PRO HD2 H 3.220 . 2 88 254 11 PRO HD3 H 3.622 . 2 89 254 11 PRO HG2 H 1.905 . 2 90 254 11 PRO HG3 H 1.780 . 2 91 254 11 PRO CA C 62.534 . 1 92 254 11 PRO CB C 31.526 . 1 93 254 11 PRO CD C 50.300 . 1 94 254 11 PRO CG C 27.364 . 1 95 254 11 PRO N N 134.969 . 1 96 255 12 GLU H H 8.503 . 1 97 255 12 GLU HA H 4.133 . 1 98 255 12 GLU HB2 H 2.060 . 2 99 255 12 GLU HB3 H 2.060 . 2 100 255 12 GLU HG2 H 2.326 . 2 101 255 12 GLU HG3 H 2.326 . 2 102 255 12 GLU CA C 57.790 . 1 103 255 12 GLU CB C 29.901 . 1 104 255 12 GLU CG C 36.008 . 1 105 255 12 GLU N N 121.561 . 1 106 256 13 GLY H H 8.656 . 1 107 256 13 GLY HA2 H 3.610 . 2 108 256 13 GLY HA3 H 3.989 . 2 109 256 13 GLY CA C 45.066 . 1 110 256 13 GLY N N 111.850 . 1 111 257 14 TYR H H 7.981 . 1 112 257 14 TYR HA H 5.510 . 1 113 257 14 TYR HB2 H 2.711 . 2 114 257 14 TYR HB3 H 3.068 . 2 115 257 14 TYR HD1 H 6.988 . 3 116 257 14 TYR HD2 H 6.988 . 3 117 257 14 TYR HE1 H 6.863 . 3 118 257 14 TYR HE2 H 6.863 . 3 119 257 14 TYR CA C 57.990 . 1 120 257 14 TYR CB C 41.817 . 1 121 257 14 TYR CD1 C 132.200 . 3 122 257 14 TYR CD2 C 132.931 . 3 123 257 14 TYR CE1 C 118.240 . 3 124 257 14 TYR CE2 C 118.240 . 3 125 257 14 TYR N N 117.762 . 1 126 258 15 GLU H H 9.127 . 1 127 258 15 GLU HA H 4.696 . 1 128 258 15 GLU HB2 H 2.010 . 2 129 258 15 GLU HB3 H 1.784 . 2 130 258 15 GLU HG2 H 2.153 . 2 131 258 15 GLU HG3 H 2.250 . 2 132 258 15 GLU CA C 54.409 . 1 133 258 15 GLU CB C 33.963 . 1 134 258 15 GLU CG C 36.215 . 1 135 258 15 GLU N N 118.983 . 1 136 259 16 GLN H H 8.882 . 1 137 259 16 GLN HA H 4.370 . 1 138 259 16 GLN HB2 H 1.894 . 2 139 259 16 GLN HB3 H 1.894 . 2 140 259 16 GLN HE21 H 6.950 . 2 141 259 16 GLN HE22 H 6.747 . 2 142 259 16 GLN HG2 H 1.643 . 2 143 259 16 GLN HG3 H 1.893 . 2 144 259 16 GLN CA C 55.628 . 1 145 259 16 GLN CB C 29.765 . 1 146 259 16 GLN CG C 34.278 . 1 147 259 16 GLN N N 124.879 . 1 148 259 16 GLN NE2 N 112.044 . 1 149 260 17 ARG H H 8.584 . 1 150 260 17 ARG HA H 4.475 . 1 151 260 17 ARG HB2 H -0.085 . 2 152 260 17 ARG HB3 H 1.363 . 2 153 260 17 ARG HD2 H 2.987 . 2 154 260 17 ARG HD3 H 3.166 . 2 155 260 17 ARG HG2 H 1.148 . 2 156 260 17 ARG HG3 H 1.244 . 2 157 260 17 ARG CA C 53.461 . 1 158 260 17 ARG CB C 34.640 . 1 159 260 17 ARG CD C 42.985 . 1 160 260 17 ARG CG C 27.491 . 1 161 260 17 ARG N N 128.064 . 1 162 261 18 THR H H 7.829 . 1 163 261 18 THR HA H 5.461 . 1 164 261 18 THR HB H 3.952 . 1 165 261 18 THR HG2 H 1.192 . 1 166 261 18 THR CA C 59.690 . 1 167 261 18 THR CB C 71.870 . 1 168 261 18 THR CG2 C 22.689 . 1 169 261 18 THR N N 108.764 . 1 170 262 19 THR H H 9.266 . 1 171 262 19 THR HA H 4.884 . 1 172 262 19 THR HB H 5.156 . 1 173 262 19 THR HG2 H 1.857 . 1 174 262 19 THR CA C 60.900 . 1 175 262 19 THR CB C 72.280 . 1 176 262 19 THR CG2 C 22.294 . 1 177 262 19 THR N N 115.011 . 1 178 263 20 GLN HA H 4.250 . 1 179 263 20 GLN HB2 H 2.218 . 2 180 263 20 GLN HB3 H 2.386 . 2 181 263 20 GLN HE21 H 7.659 . 2 182 263 20 GLN HE22 H 6.933 . 2 183 263 20 GLN HG2 H 2.565 . 2 184 263 20 GLN HG3 H 2.565 . 2 185 263 20 GLN CA C 58.336 . 1 186 263 20 GLN CB C 28.141 . 1 187 263 20 GLN CG C 34.200 . 1 188 263 20 GLN N N 120.791 . 1 189 263 20 GLN NE2 N 112.748 . 1 190 264 21 GLN H H 7.677 . 1 191 264 21 GLN HA H 4.547 . 1 192 264 21 GLN HB2 H 1.810 . 2 193 264 21 GLN HB3 H 2.385 . 2 194 264 21 GLN HE21 H 7.584 . 2 195 264 21 GLN HE22 H 6.882 . 2 196 264 21 GLN HG2 H 2.394 . 2 197 264 21 GLN HG3 H 2.394 . 2 198 264 21 GLN CA C 55.899 . 1 199 264 21 GLN CB C 28.276 . 1 200 264 21 GLN CG C 34.853 . 1 201 264 21 GLN N N 115.726 . 1 202 264 21 GLN NE2 N 112.176 . 1 203 265 22 GLY H H 7.983 . 1 204 265 22 GLY HA2 H 3.730 . 2 205 265 22 GLY HA3 H 4.404 . 2 206 265 22 GLY CA C 45.879 . 1 207 265 22 GLY N N 108.526 . 1 208 266 23 GLN H H 7.712 . 1 209 266 23 GLN HA H 4.790 . 1 210 266 23 GLN HB2 H 1.726 . 2 211 266 23 GLN HB3 H 2.453 . 2 212 266 23 GLN HE21 H 7.991 . 2 213 266 23 GLN HE22 H 7.080 . 2 214 266 23 GLN HG2 H 1.670 . 2 215 266 23 GLN HG3 H 2.054 . 2 216 266 23 GLN CA C 54.815 . 1 217 266 23 GLN CB C 28.953 . 1 218 266 23 GLN CG C 31.999 . 1 219 266 23 GLN N N 117.767 . 1 220 266 23 GLN NE2 N 114.219 . 1 221 267 24 VAL H H 9.144 . 1 222 267 24 VAL HA H 4.536 . 1 223 267 24 VAL HB H 2.210 . 1 224 267 24 VAL HG1 H 0.701 . 2 225 267 24 VAL HG2 H 1.154 . 2 226 267 24 VAL CA C 63.481 . 1 227 267 24 VAL CB C 32.744 . 1 228 267 24 VAL CG1 C 21.715 . 1 229 267 24 VAL CG2 C 22.100 . 1 230 267 24 VAL N N 127.998 . 1 231 268 25 TYR H H 8.627 . 1 232 268 25 TYR HA H 4.888 . 1 233 268 25 TYR HB2 H 2.138 . 2 234 268 25 TYR HB3 H 2.610 . 2 235 268 25 TYR HD1 H 6.825 . 3 236 268 25 TYR HD2 H 6.825 . 3 237 268 25 TYR HE1 H 6.393 . 3 238 268 25 TYR HE2 H 6.393 . 3 239 268 25 TYR CA C 54.545 . 1 240 268 25 TYR CB C 39.785 . 1 241 268 25 TYR CD1 C 133.310 . 3 242 268 25 TYR CD2 C 133.310 . 3 243 268 25 TYR CE1 C 117.120 . 3 244 268 25 TYR CE2 C 117.120 . 3 245 268 25 TYR N N 122.125 . 1 246 269 26 PHE H H 8.952 . 1 247 269 26 PHE HA H 5.132 . 1 248 269 26 PHE HB2 H 2.681 . 2 249 269 26 PHE HB3 H 2.956 . 2 250 269 26 PHE HD1 H 6.942 . 3 251 269 26 PHE HD2 H 6.942 . 3 252 269 26 PHE HE1 H 7.270 . 3 253 269 26 PHE HE2 H 7.270 . 3 254 269 26 PHE CA C 56.169 . 1 255 269 26 PHE CB C 41.140 . 1 256 269 26 PHE CD1 C 131.100 . 3 257 269 26 PHE CD2 C 131.100 . 3 258 269 26 PHE CE1 C 130.400 . 3 259 269 26 PHE CE2 C 130.400 . 3 260 269 26 PHE N N 116.322 . 1 261 270 27 LEU H H 9.186 . 1 262 270 27 LEU HA H 5.018 . 1 263 270 27 LEU HB2 H 1.273 . 2 264 270 27 LEU HB3 H 1.704 . 2 265 270 27 LEU HD1 H 0.779 . 2 266 270 27 LEU HD2 H 0.845 . 2 267 270 27 LEU HG H 1.135 . 1 268 270 27 LEU CA C 53.191 . 1 269 270 27 LEU CB C 46.691 . 1 270 270 27 LEU CD1 C 23.556 . 1 271 270 27 LEU CD2 C 25.980 . 1 272 270 27 LEU CG C 27.227 . 1 273 270 27 LEU N N 126.030 . 1 274 271 28 HIS H H 8.987 . 1 275 271 28 HIS HA H 4.367 . 1 276 271 28 HIS HB2 H 3.243 . 2 277 271 28 HIS HB3 H 2.286 . 2 278 271 28 HIS HD2 H 6.183 . 3 279 271 28 HIS HE1 H 7.735 . 3 280 271 28 HIS CA C 56.169 . 1 281 271 28 HIS CB C 30.036 . 1 282 271 28 HIS CD2 C 117.749 . 1 283 271 28 HIS CE1 C 137.707 . 1 284 271 28 HIS N N 129.580 . 1 285 271 28 HIS ND1 N 245.210 . 1 286 271 28 HIS NE2 N 168.204 . 1 287 272 29 THR H H 8.154 . 1 288 272 29 THR HA H 3.604 . 1 289 272 29 THR HB H 4.031 . 1 290 272 29 THR HG2 H 1.152 . 1 291 272 29 THR CA C 65.919 . 1 292 272 29 THR CB C 68.360 . 1 293 272 29 THR CG2 C 21.709 . 1 294 272 29 THR N N 121.920 . 1 295 273 30 GLN H H 8.767 . 1 296 273 30 GLN HA H 4.216 . 1 297 273 30 GLN HB2 H 2.051 . 2 298 273 30 GLN HB3 H 1.987 . 2 299 273 30 GLN HE21 H 7.499 . 2 300 273 30 GLN HE22 H 6.844 . 2 301 273 30 GLN HG2 H 2.400 . 2 302 273 30 GLN HG3 H 2.341 . 2 303 273 30 GLN CA C 58.201 . 1 304 273 30 GLN CB C 29.224 . 1 305 273 30 GLN CG C 33.943 . 1 306 273 30 GLN N N 119.414 . 1 307 273 30 GLN NE2 N 112.264 . 1 308 274 31 THR H H 7.774 . 1 309 274 31 THR HA H 4.484 . 1 310 274 31 THR HB H 4.340 . 1 311 274 31 THR HG2 H 1.195 . 1 312 274 31 THR CA C 62.127 . 1 313 274 31 THR CB C 71.100 . 1 314 274 31 THR CG2 C 21.650 . 1 315 274 31 THR N N 106.890 . 1 316 275 32 GLY H H 8.568 . 1 317 275 32 GLY HA2 H 3.683 . 2 318 275 32 GLY HA3 H 4.165 . 2 319 275 32 GLY CA C 45.843 . 1 320 275 32 GLY N N 111.606 . 1 321 276 33 VAL H H 7.428 . 1 322 276 33 VAL HA H 4.079 . 1 323 276 33 VAL HB H 1.976 . 1 324 276 33 VAL HG1 H 1.002 . 2 325 276 33 VAL HG2 H 0.991 . 2 326 276 33 VAL CA C 63.211 . 1 327 276 33 VAL CB C 33.151 . 1 328 276 33 VAL CG1 C 21.526 . 1 329 276 33 VAL CG2 C 21.900 . 1 330 276 33 VAL N N 121.246 . 1 331 277 34 SER H H 8.584 . 1 332 277 34 SER HA H 5.819 . 1 333 277 34 SER HB2 H 3.566 . 2 334 277 34 SER HB3 H 3.524 . 2 335 277 34 SER CA C 56.440 . 1 336 277 34 SER CB C 66.325 . 1 337 277 34 SER N N 122.516 . 1 338 278 35 THR H H 9.048 . 1 339 278 35 THR HA H 4.860 . 1 340 278 35 THR HB H 4.369 . 1 341 278 35 THR HG2 H 1.460 . 1 342 278 35 THR CA C 59.013 . 1 343 278 35 THR CB C 70.252 . 1 344 278 35 THR CG2 C 19.707 . 1 345 278 35 THR N N 116.006 . 1 346 279 36 TRP H H 8.910 . 1 347 279 36 TRP HA H 5.185 . 1 348 279 36 TRP HB2 H 3.045 . 2 349 279 36 TRP HB3 H 3.987 . 2 350 279 36 TRP HD1 H 7.335 . 1 351 279 36 TRP HE1 H 10.045 . 3 352 279 36 TRP HE3 H 8.237 . 3 353 279 36 TRP HH2 H 6.802 . 1 354 279 36 TRP HZ2 H 7.319 . 3 355 279 36 TRP HZ3 H 6.785 . 3 356 279 36 TRP CA C 57.117 . 1 357 279 36 TRP CB C 30.713 . 1 358 279 36 TRP CD1 C 128.500 . 3 359 279 36 TRP CE3 C 122.425 . 3 360 279 36 TRP CH2 C 123.577 . 1 361 279 36 TRP CZ2 C 114.351 . 3 362 279 36 TRP CZ3 C 122.511 . 3 363 279 36 TRP N N 125.257 . 1 364 279 36 TRP NE1 N 128.870 . 1 365 280 37 HIS H H 8.393 . 1 366 280 37 HIS HA H 4.788 . 1 367 280 37 HIS HB2 H 3.090 . 2 368 280 37 HIS HB3 H 2.826 . 2 369 280 37 HIS HD2 H 7.054 . 3 370 280 37 HIS HE1 H 7.426 . 3 371 280 37 HIS CA C 55.492 . 1 372 280 37 HIS CB C 32.609 . 1 373 280 37 HIS CD2 C 120.000 . 1 374 280 37 HIS CE1 C 138.303 . 1 375 280 37 HIS N N 120.315 . 1 376 280 37 HIS ND1 N 229.998 . 1 377 280 37 HIS NE2 N 182.730 . 1 378 281 38 ASP H H 7.572 . 1 379 281 38 ASP HA H 2.991 . 1 380 281 38 ASP HB2 H 2.264 . 2 381 281 38 ASP HB3 H 2.638 . 2 382 281 38 ASP CA C 51.430 . 1 383 281 38 ASP CB C 42.087 . 1 384 281 38 ASP N N 124.386 . 1 385 282 39 PRO HA H 4.305 . 1 386 282 39 PRO HB2 H 1.424 . 2 387 282 39 PRO HB3 H 1.805 . 2 388 282 39 PRO HD2 H 2.520 . 2 389 282 39 PRO HD3 H 3.034 . 2 390 282 39 PRO HG2 H 0.792 . 2 391 282 39 PRO HG3 H 0.792 . 2 392 282 39 PRO CA C 63.075 . 1 393 282 39 PRO CB C 31.797 . 1 394 282 39 PRO CD C 49.849 . 1 395 282 39 PRO CG C 26.108 . 1 396 282 39 PRO N N 138.105 . 1 397 283 40 ARG H H 8.567 . 1 398 283 40 ARG HA H 3.969 . 1 399 283 40 ARG HB2 H 1.890 . 2 400 283 40 ARG HB3 H 1.637 . 2 401 283 40 ARG HD2 H 2.991 . 2 402 283 40 ARG HD3 H 3.071 . 2 403 283 40 ARG HE H 8.586 . 1 404 283 40 ARG HG2 H 1.284 . 2 405 283 40 ARG HG3 H 1.284 . 2 406 283 40 ARG CA C 56.982 . 1 407 283 40 ARG CB C 31.120 . 1 408 283 40 ARG CD C 43.197 . 1 409 283 40 ARG CG C 26.919 . 1 410 283 40 ARG N N 118.013 . 1 411 283 40 ARG NE N 84.420 . 1 412 284 41 VAL H H 7.325 . 1 413 284 41 VAL HA H 4.507 . 1 414 284 41 VAL HB H 2.047 . 1 415 284 41 VAL HG1 H 0.913 . 2 416 284 41 VAL HG2 H 0.744 . 2 417 284 41 VAL CA C 58.471 . 1 418 284 41 VAL CB C 33.421 . 1 419 284 41 VAL CG1 C 21.478 . 1 420 284 41 VAL CG2 C 20.238 . 1 421 284 41 VAL N N 116.986 . 1 422 285 42 PRO HA H 4.352 . 1 423 285 42 PRO HB2 H 1.877 . 2 424 285 42 PRO HB3 H 2.368 . 2 425 285 42 PRO HD2 H 3.569 . 2 426 285 42 PRO HD3 H 3.883 . 2 427 285 42 PRO HG2 H 1.993 . 2 428 285 42 PRO CA C 62.804 . 1 429 285 42 PRO CB C 32.100 . 1 430 285 42 PRO CD C 50.851 . 1 431 285 42 PRO CG C 27.687 . 1 432 285 42 PRO N N 139.564 . 1 433 286 43 ARG H H 8.460 . 1 434 286 43 ARG HA H 4.039 . 1 435 286 43 ARG HB2 H 1.702 . 2 436 286 43 ARG HB3 H 1.702 . 2 437 286 43 ARG HD2 H 2.944 . 2 438 286 43 ARG HD3 H 2.944 . 2 439 286 43 ARG HG2 H 1.498 . 2 440 286 43 ARG HG3 H 1.498 . 2 441 286 43 ARG CA C 57.253 . 1 442 286 43 ARG CB C 29.901 . 1 443 286 43 ARG CD C 42.618 . 1 444 286 43 ARG CG C 26.844 . 1 445 286 43 ARG N N 121.930 . 1 446 287 44 ASP H H 8.244 . 1 447 287 44 ASP HA H 4.574 . 1 448 287 44 ASP HB2 H 2.596 . 2 449 287 44 ASP HB3 H 2.730 . 2 450 287 44 ASP CA C 54.000 . 1 451 287 44 ASP CB C 40.327 . 1 452 287 44 ASP N N 117.242 . 1 453 288 45 LEU H H 8.064 . 1 454 288 45 LEU HA H 4.428 . 1 455 288 45 LEU HB2 H 1.622 . 2 456 288 45 LEU HB3 H 1.747 . 2 457 288 45 LEU HD1 H 0.955 . 2 458 288 45 LEU HD2 H 0.862 . 2 459 288 45 LEU HG H 1.623 . 1 460 288 45 LEU CA C 54.680 . 1 461 288 45 LEU CB C 41.952 . 1 462 288 45 LEU CD1 C 25.397 . 1 463 288 45 LEU CD2 C 23.486 . 1 464 288 45 LEU CG C 26.926 . 1 465 288 45 LEU N N 122.227 . 1 466 289 46 SER H H 8.096 . 1 467 289 46 SER HA H 4.338 . 1 468 289 46 SER HB2 H 3.927 . 2 469 289 46 SER HB3 H 3.927 . 2 470 289 46 SER CA C 59.690 . 1 471 289 46 SER CB C 63.211 . 1 472 289 46 SER N N 115.584 . 1 473 290 47 ASN H H 8.440 . 1 474 290 47 ASN HA H 4.893 . 1 475 290 47 ASN HB2 H 2.866 . 2 476 290 47 ASN HB3 H 2.866 . 2 477 290 47 ASN HD21 H 7.779 . 2 478 290 47 ASN HD22 H 6.795 . 2 479 290 47 ASN CA C 53.711 . 1 480 290 47 ASN CB C 39.057 . 1 481 290 47 ASN N N 119.170 . 1 482 290 47 ASN ND2 N 112.704 . 1 483 291 48 ILE H H 7.852 . 1 484 291 48 ILE HA H 4.311 . 1 485 291 48 ILE HB H 1.901 . 1 486 291 48 ILE HD1 H 0.886 . 1 487 291 48 ILE HG12 H 1.461 . 1 488 291 48 ILE HG13 H 1.205 . 1 489 291 48 ILE HG2 H 0.894 . 2 490 291 48 ILE CA C 60.367 . 1 491 291 48 ILE CB C 39.515 . 1 492 291 48 ILE CD1 C 13.200 . 1 493 291 48 ILE CG1 C 27.236 . 2 494 291 48 ILE CG2 C 17.587 . 1 495 291 48 ILE N N 119.000 . 1 496 292 49 ASN H H 8.685 . 1 497 292 49 ASN HA H 4.884 . 1 498 292 49 ASN HB2 H 3.060 . 2 499 292 49 ASN HB3 H 2.775 . 2 500 292 49 ASN HD21 H 7.655 . 2 501 292 49 ASN HD22 H 6.984 . 2 502 292 49 ASN CA C 52.500 . 1 503 292 49 ASN CB C 38.151 . 1 504 292 49 ASN N N 123.010 . 1 505 292 49 ASN ND2 N 111.692 . 1 506 293 50 CYS H H 8.959 . 1 507 293 50 CYS HA H 4.374 . 1 508 293 50 CYS HB2 H 2.924 . 2 509 293 50 CYS HB3 H 2.924 . 2 510 293 50 CYS CA C 60.096 . 1 511 293 50 CYS CB C 26.922 . 1 512 293 50 CYS N N 124.756 . 1 513 294 51 GLU H H 8.219 . 1 514 294 51 GLU HA H 4.176 . 1 515 294 51 GLU HB2 H 2.068 . 2 516 294 51 GLU HB3 H 2.068 . 2 517 294 51 GLU HG2 H 2.325 . 2 518 294 51 GLU HG3 H 2.325 . 2 519 294 51 GLU CA C 58.065 . 1 520 294 51 GLU CB C 29.495 . 1 521 294 51 GLU CG C 36.245 . 1 522 294 51 GLU N N 120.777 . 1 523 295 52 GLU H H 8.405 . 1 524 295 52 GLU HA H 4.274 . 1 525 295 52 GLU HB2 H 1.963 . 2 526 295 52 GLU HB3 H 2.129 . 2 527 295 52 GLU HG2 H 2.247 . 2 528 295 52 GLU HG3 H 2.247 . 2 529 295 52 GLU CA C 56.847 . 1 530 295 52 GLU CB C 29.324 . 1 531 295 52 GLU CG C 36.289 . 1 532 295 52 GLU N N 118.695 . 1 533 296 53 LEU H H 7.696 . 1 534 296 53 LEU HA H 4.252 . 1 535 296 53 LEU HB2 H 1.457 . 2 536 296 53 LEU HB3 H 1.721 . 2 537 296 53 LEU HD1 H 0.753 . 2 538 296 53 LEU HD2 H 0.804 . 2 539 296 53 LEU HG H 1.582 . 1 540 296 53 LEU CA C 55.222 . 1 541 296 53 LEU CB C 42.222 . 1 542 296 53 LEU CD1 C 22.312 . 1 543 296 53 LEU CD2 C 25.695 . 1 544 296 53 LEU CG C 26.840 . 1 545 296 53 LEU N N 119.875 . 1 546 297 54 GLY H H 7.751 . 1 547 297 54 GLY HA2 H 3.882 . 2 548 297 54 GLY HA3 H 4.309 . 2 549 297 54 GLY CA C 44.254 . 1 550 297 54 GLY N N 107.637 . 1 551 298 55 PRO HA H 4.486 . 1 552 298 55 PRO HB2 H 1.950 . 2 553 298 55 PRO HB3 H 2.310 . 2 554 298 55 PRO HD2 H 3.598 . 2 555 298 55 PRO HD3 H 3.550 . 2 556 298 55 PRO HG2 H 2.003 . 2 557 298 55 PRO HG3 H 2.003 . 2 558 298 55 PRO CA C 62.263 . 1 559 298 55 PRO CB C 32.030 . 1 560 298 55 PRO CD C 49.176 . 1 561 298 55 PRO CG C 26.954 . 1 562 298 55 PRO N N 133.937 . 1 563 299 56 LEU H H 8.706 . 1 564 299 56 LEU HA H 4.082 . 1 565 299 56 LEU HB2 H 1.585 . 2 566 299 56 LEU HB3 H 1.728 . 2 567 299 56 LEU HD1 H 1.064 . 2 568 299 56 LEU HD2 H 0.876 . 2 569 299 56 LEU HG H 1.780 . 1 570 299 56 LEU CA C 53.461 . 1 571 299 56 LEU CB C 41.681 . 1 572 299 56 LEU CD1 C 25.387 . 1 573 299 56 LEU CD2 C 24.116 . 1 574 299 56 LEU CG C 27.070 . 1 575 299 56 LEU N N 123.617 . 1 576 300 57 PRO HA H 4.740 . 1 577 300 57 PRO HB2 H 2.461 . 2 578 300 57 PRO HB3 H 1.917 . 2 579 300 57 PRO HD2 H 2.740 . 2 580 300 57 PRO HD3 H 3.330 . 2 581 300 57 PRO HG2 H 1.676 . 2 582 300 57 PRO HG3 H 1.286 . 2 583 300 57 PRO CA C 61.299 . 1 584 300 57 PRO CB C 29.606 . 1 585 300 57 PRO CD C 49.909 . 1 586 300 57 PRO CG C 26.838 . 1 587 300 57 PRO N N 136.635 . 1 588 301 58 PRO HA H 4.538 . 1 589 301 58 PRO HB2 H 2.424 . 2 590 301 58 PRO HB3 H 2.054 . 2 591 301 58 PRO HD2 H 3.682 . 2 592 301 58 PRO HD3 H 3.934 . 2 593 301 58 PRO HG2 H 2.193 . 2 594 301 58 PRO CA C 63.696 . 1 595 301 58 PRO CB C 31.811 . 1 596 301 58 PRO CD C 50.350 . 1 597 301 58 PRO CG C 27.752 . 1 598 301 58 PRO N N 134.850 . 1 599 302 59 GLY H H 9.045 . 1 600 302 59 GLY HA2 H 3.890 . 2 601 302 59 GLY HA3 H 4.302 . 2 602 302 59 GLY CA C 45.898 . 1 603 302 59 GLY N N 112.441 . 1 604 303 60 TRP H H 7.658 . 1 605 303 60 TRP HA H 6.083 . 1 606 303 60 TRP HB2 H 3.170 . 2 607 303 60 TRP HB3 H 3.302 . 2 608 303 60 TRP HD1 H 7.121 . 1 609 303 60 TRP HE1 H 10.183 . 3 610 303 60 TRP HE3 H 7.380 . 3 611 303 60 TRP HH2 H 7.237 . 1 612 303 60 TRP HZ2 H 7.446 . 3 613 303 60 TRP HZ3 H 6.658 . 3 614 303 60 TRP CA C 56.169 . 1 615 303 60 TRP CB C 31.661 . 1 616 303 60 TRP CD1 C 127.118 . 3 617 303 60 TRP CE3 C 119.000 . 3 618 303 60 TRP CH2 C 123.608 . 1 619 303 60 TRP CZ2 C 115.879 . 3 620 303 60 TRP CZ3 C 119.531 . 3 621 303 60 TRP N N 117.768 . 1 622 303 60 TRP NE1 N 129.980 . 1 623 304 61 GLU H H 9.612 . 1 624 304 61 GLU HA H 4.801 . 1 625 304 61 GLU HB2 H 2.157 . 2 626 304 61 GLU HB3 H 1.932 . 2 627 304 61 GLU HG2 H 2.164 . 2 628 304 61 GLU HG3 H 2.490 . 2 629 304 61 GLU CA C 54.815 . 1 630 304 61 GLU CB C 35.492 . 1 631 304 61 GLU CG C 35.965 . 1 632 304 61 GLU N N 122.548 . 1 633 305 62 ILE H H 8.724 . 1 634 305 62 ILE HA H 4.417 . 1 635 305 62 ILE HB H 1.606 . 1 636 305 62 ILE HD1 H 0.995 . 1 637 305 62 ILE HG12 H 1.600 . 1 638 305 62 ILE HG13 H 0.930 . 1 639 305 62 ILE HG2 H 0.732 . 2 640 305 62 ILE CA C 61.179 . 1 641 305 62 ILE CB C 39.515 . 1 642 305 62 ILE CD1 C 14.000 . 1 643 305 62 ILE CG1 C 28.675 . 2 644 305 62 ILE CG2 C 17.162 . 1 645 305 62 ILE N N 125.946 . 1 646 306 63 ARG H H 8.243 . 1 647 306 63 ARG HA H 4.508 . 1 648 306 63 ARG HB2 H 0.185 . 2 649 306 63 ARG HB3 H 1.561 . 2 650 306 63 ARG HD2 H 2.731 . 2 651 306 63 ARG HD3 H 3.102 . 2 652 306 63 ARG HE H 7.399 . 1 653 306 63 ARG HG2 H 1.033 . 2 654 306 63 ARG HG3 H 1.694 . 2 655 306 63 ARG CA C 54.373 . 1 656 306 63 ARG CB C 34.868 . 1 657 306 63 ARG CD C 43.969 . 1 658 306 63 ARG CG C 28.764 . 1 659 306 63 ARG N N 126.925 . 1 660 306 63 ARG NE N 87.160 . 1 661 307 64 ASN H H 8.231 . 1 662 307 64 ASN HA H 5.870 . 1 663 307 64 ASN HB2 H 2.505 . 2 664 307 64 ASN HB3 H 2.505 . 2 665 307 64 ASN HD21 H 7.054 . 2 666 307 64 ASN HD22 H 6.781 . 2 667 307 64 ASN CA C 51.701 . 1 668 307 64 ASN CB C 42.358 . 1 669 307 64 ASN N N 114.257 . 1 670 307 64 ASN ND2 N 111.332 . 1 671 308 65 THR H H 9.537 . 1 672 308 65 THR HA H 4.714 . 1 673 308 65 THR HB H 4.864 . 1 674 308 65 THR HG2 H 1.412 . 1 675 308 65 THR CA C 60.773 . 1 676 308 65 THR CB C 71.064 . 1 677 308 65 THR CG2 C 22.260 . 1 678 308 65 THR N N 113.531 . 1 679 309 66 ALA HA H 4.285 . 1 680 309 66 ALA HB H 1.581 . 1 681 309 66 ALA CA C 54.645 . 1 682 309 66 ALA CB C 18.520 . 1 683 309 66 ALA N N 123.863 . 1 684 310 67 THR HA H 4.455 . 1 685 310 67 THR HB H 4.601 . 1 686 310 67 THR HG2 H 1.230 . 1 687 310 67 THR CA C 60.909 . 1 688 310 67 THR CB C 68.762 . 1 689 310 67 THR CG2 C 21.770 . 1 690 310 67 THR N N 104.344 . 1 691 311 68 GLY H H 8.023 . 1 692 311 68 GLY HA2 H 3.692 . 2 693 311 68 GLY HA3 H 4.342 . 2 694 311 68 GLY CA C 45.337 . 1 695 311 68 GLY N N 110.308 . 1 696 312 69 ARG H H 7.529 . 1 697 312 69 ARG HA H 4.536 . 1 698 312 69 ARG HB2 H 1.976 . 2 699 312 69 ARG HB3 H 1.815 . 2 700 312 69 ARG HD2 H 3.024 . 2 701 312 69 ARG HD3 H 3.024 . 2 702 312 69 ARG HG2 H 1.731 . 2 703 312 69 ARG HG3 H 1.731 . 2 704 312 69 ARG CA C 55.899 . 1 705 312 69 ARG CB C 30.578 . 1 706 312 69 ARG CD C 43.445 . 1 707 312 69 ARG CG C 26.609 . 1 708 312 69 ARG N N 121.760 . 1 709 313 70 VAL H H 8.489 . 1 710 313 70 VAL HA H 4.747 . 1 711 313 70 VAL HB H 1.970 . 1 712 313 70 VAL HG1 H 0.805 . 2 713 313 70 VAL HG2 H 1.004 . 2 714 313 70 VAL CA C 62.127 . 1 715 313 70 VAL CB C 33.151 . 1 716 313 70 VAL CG1 C 21.931 . 1 717 313 70 VAL CG2 C 21.931 . 1 718 313 70 VAL N N 125.836 . 1 719 314 71 TYR H H 8.776 . 1 720 314 71 TYR HA H 5.069 . 1 721 314 71 TYR HB2 H 2.835 . 2 722 314 71 TYR HB3 H 3.126 . 2 723 314 71 TYR HD1 H 6.849 . 3 724 314 71 TYR HD2 H 6.849 . 3 725 314 71 TYR HE1 H 6.319 . 3 726 314 71 TYR HE2 H 6.319 . 3 727 314 71 TYR CA C 56.576 . 1 728 314 71 TYR CB C 39.921 . 1 729 314 71 TYR CD1 C 132.930 . 3 730 314 71 TYR CD2 C 132.930 . 3 731 314 71 TYR CE1 C 117.500 . 3 732 314 71 TYR CE2 C 117.500 . 3 733 314 71 TYR N N 120.401 . 1 734 315 72 PHE H H 9.287 . 1 735 315 72 PHE HA H 5.121 . 1 736 315 72 PHE HB2 H 3.246 . 2 737 315 72 PHE HB3 H 3.246 . 2 738 315 72 PHE HD1 H 7.117 . 3 739 315 72 PHE HD2 H 7.117 . 3 740 315 72 PHE HE1 H 7.347 . 3 741 315 72 PHE HE2 H 7.347 . 3 742 315 72 PHE CA C 57.659 . 1 743 315 72 PHE CB C 42.124 . 1 744 315 72 PHE CD1 C 131.606 . 3 745 315 72 PHE CD2 C 131.606 . 3 746 315 72 PHE CE1 C 131.328 . 3 747 315 72 PHE CE2 C 131.328 . 3 748 315 72 PHE N N 116.470 . 1 749 316 73 VAL H H 9.516 . 1 750 316 73 VAL HA H 4.528 . 1 751 316 73 VAL HB H 1.853 . 1 752 316 73 VAL HG1 H 0.389 . 2 753 316 73 VAL HG2 H 0.642 . 2 754 316 73 VAL CA C 60.708 . 1 755 316 73 VAL CB C 33.940 . 1 756 316 73 VAL CG1 C 21.475 . 1 757 316 73 VAL CG2 C 21.475 . 1 758 316 73 VAL N N 125.393 . 1 759 317 74 ASP H H 8.494 . 1 760 317 74 ASP HA H 3.607 . 1 761 317 74 ASP HB2 H -0.048 . 2 762 317 74 ASP HB3 H 2.470 . 2 763 317 74 ASP CA C 51.159 . 1 764 317 74 ASP CB C 38.838 . 1 765 317 74 ASP N N 125.641 . 1 766 318 75 HIS H H 8.788 . 1 767 318 75 HIS HA H 4.331 . 1 768 318 75 HIS HB2 H 3.047 . 2 769 318 75 HIS HB3 H 3.287 . 2 770 318 75 HIS HD2 H 6.898 . 3 771 318 75 HIS HE1 H 7.750 . 3 772 318 75 HIS CA C 58.878 . 1 773 318 75 HIS CB C 30.443 . 1 774 318 75 HIS CD2 C 118.004 . 1 775 318 75 HIS CE1 C 138.749 . 1 776 318 75 HIS N N 122.320 . 1 777 318 75 HIS ND1 N 237.955 . 1 778 318 75 HIS NE2 N 165.913 . 1 779 319 76 ASN H H 8.535 . 1 780 319 76 ASN HA H 4.374 . 1 781 319 76 ASN HB2 H 2.614 . 2 782 319 76 ASN HB3 H 3.101 . 2 783 319 76 ASN HD21 H 7.959 . 2 784 319 76 ASN HD22 H 7.627 . 2 785 319 76 ASN CA C 55.492 . 1 786 319 76 ASN CB C 38.025 . 1 787 319 76 ASN N N 116.965 . 1 788 319 76 ASN ND2 N 118.032 . 1 789 320 77 ASN H H 6.631 . 1 790 320 77 ASN HA H 4.597 . 1 791 320 77 ASN HB2 H 2.169 . 2 792 320 77 ASN HB3 H 2.587 . 2 793 320 77 ASN HD21 H 8.370 . 2 794 320 77 ASN HD22 H 6.936 . 2 795 320 77 ASN CA C 52.649 . 1 796 320 77 ASN CB C 40.462 . 1 797 320 77 ASN N N 113.784 . 1 798 320 77 ASN ND2 N 117.287 . 1 799 321 78 ARG H H 7.578 . 1 800 321 78 ARG HA H 2.304 . 1 801 321 78 ARG HB2 H 0.593 . 2 802 321 78 ARG HB3 H 1.810 . 2 803 321 78 ARG HD2 H 3.024 . 2 804 321 78 ARG HD3 H 3.024 . 2 805 321 78 ARG HG2 H 0.943 . 2 806 321 78 ARG HG3 H 1.096 . 2 807 321 78 ARG CA C 56.711 . 1 808 321 78 ARG CB C 25.568 . 1 809 321 78 ARG CD C 43.387 . 1 810 321 78 ARG CG C 27.125 . 1 811 321 78 ARG N N 117.873 . 1 812 322 79 THR H H 7.424 . 1 813 322 79 THR HA H 5.731 . 1 814 322 79 THR HB H 4.470 . 1 815 322 79 THR HG2 H 0.829 . 1 816 322 79 THR CA C 58.742 . 1 817 322 79 THR CB C 73.095 . 1 818 322 79 THR CG2 C 21.108 . 1 819 322 79 THR N N 107.327 . 1 820 323 80 THR H H 8.985 . 1 821 323 80 THR HA H 5.380 . 1 822 323 80 THR HB H 4.080 . 1 823 323 80 THR HG2 H 1.191 . 1 824 323 80 THR CA C 59.419 . 1 825 323 80 THR CB C 71.741 . 1 826 323 80 THR CG2 C 23.865 . 1 827 323 80 THR N N 111.099 . 1 828 324 81 GLN H H 8.810 . 1 829 324 81 GLN HA H 5.350 . 1 830 324 81 GLN HB2 H 2.757 . 2 831 324 81 GLN HB3 H 2.611 . 2 832 324 81 GLN HE21 H 8.547 . 2 833 324 81 GLN HE22 H 7.389 . 2 834 324 81 GLN HG2 H 2.760 . 2 835 324 81 GLN HG3 H 2.831 . 2 836 324 81 GLN CA C 53.868 . 1 837 324 81 GLN CB C 32.512 . 1 838 324 81 GLN CG C 32.380 . 1 839 324 81 GLN N N 111.110 . 1 840 324 81 GLN NE2 N 115.426 . 1 841 325 82 PHE H H 8.691 . 1 842 325 82 PHE HA H 5.447 . 1 843 325 82 PHE HB2 H 2.936 . 2 844 325 82 PHE HB3 H 3.651 . 2 845 325 82 PHE HD1 H 7.540 . 3 846 325 82 PHE HD2 H 7.540 . 3 847 325 82 PHE HE1 H 7.217 . 3 848 325 82 PHE HE2 H 7.217 . 3 849 325 82 PHE CA C 59.284 . 1 850 325 82 PHE CB C 40.869 . 1 851 325 82 PHE CD1 C 130.500 . 3 852 325 82 PHE CD2 C 130.792 . 3 853 325 82 PHE CE1 C 130.500 . 3 854 325 82 PHE CE2 C 131.020 . 3 855 325 82 PHE N N 118.591 . 1 856 326 83 THR H H 8.385 . 1 857 326 83 THR HA H 4.551 . 1 858 326 83 THR HB H 4.126 . 1 859 326 83 THR HG2 H 1.287 . 1 860 326 83 THR CA C 63.346 . 1 861 326 83 THR CB C 69.168 . 1 862 326 83 THR CG2 C 23.463 . 1 863 326 83 THR N N 116.400 . 1 864 327 84 ASP H H 8.576 . 1 865 327 84 ASP HA H 2.350 . 1 866 327 84 ASP HB2 H 2.561 . 2 867 327 84 ASP HB3 H 2.368 . 2 868 327 84 ASP CA C 51.295 . 1 869 327 84 ASP CB C 42.223 . 1 870 327 84 ASP N N 130.419 . 1 871 328 85 PRO HA H 4.053 . 1 872 328 85 PRO HB2 H 1.058 . 2 873 328 85 PRO HB3 H 1.145 . 2 874 328 85 PRO HD2 H 2.638 . 2 875 328 85 PRO HD3 H 2.955 . 2 876 328 85 PRO HG2 H 0.626 . 2 877 328 85 PRO HG3 H 0.104 . 2 878 328 85 PRO CA C 63.075 . 1 879 328 85 PRO CB C 31.390 . 1 880 328 85 PRO CD C 50.472 . 1 881 328 85 PRO CG C 25.814 . 1 882 328 85 PRO N N 140.580 . 1 883 329 86 ARG H H 9.052 . 1 884 329 86 ARG HA H 3.882 . 1 885 329 86 ARG HB2 H 1.581 . 2 886 329 86 ARG HB3 H 1.827 . 2 887 329 86 ARG HD2 H 2.732 . 2 888 329 86 ARG HD3 H 2.794 . 2 889 329 86 ARG HE H 9.043 . 1 890 329 86 ARG HG2 H 1.720 . 2 891 329 86 ARG HG3 H 1.166 . 2 892 329 86 ARG CA C 57.253 . 1 893 329 86 ARG CB C 30.307 . 1 894 329 86 ARG CD C 43.223 . 1 895 329 86 ARG CG C 26.609 . 1 896 329 86 ARG N N 119.632 . 1 897 329 86 ARG NE N 84.464 . 1 898 330 87 LEU H H 7.197 . 1 899 330 87 LEU HA H 4.126 . 1 900 330 87 LEU HB2 H 1.462 . 2 901 330 87 LEU HB3 H 1.696 . 2 902 330 87 LEU HD1 H 1.012 . 2 903 330 87 LEU HD2 H 0.849 . 2 904 330 87 LEU HG H 1.525 . 1 905 330 87 LEU CA C 55.357 . 1 906 330 87 LEU CB C 42.223 . 1 907 330 87 LEU CD1 C 26.369 . 1 908 330 87 LEU CD2 C 23.380 . 1 909 330 87 LEU CG C 26.820 . 1 910 330 87 LEU N N 117.169 . 1 911 331 88 SER H H 7.408 . 1 912 331 88 SER HA H 4.357 . 1 913 331 88 SER HB2 H 3.680 . 2 914 331 88 SER HB3 H 3.768 . 2 915 331 88 SER CA C 57.659 . 1 916 331 88 SER CB C 63.617 . 1 917 331 88 SER N N 113.336 . 1 918 332 89 ALA H H 7.735 . 1 919 332 89 ALA HA H 4.310 . 1 920 332 89 ALA HB H 1.330 . 1 921 332 89 ALA CA C 52.243 . 1 922 332 89 ALA CB C 19.475 . 1 923 332 89 ALA N N 125.338 . 1 924 333 90 ASN H H 7.892 . 1 925 333 90 ASN HA H 4.457 . 1 926 333 90 ASN HB2 H 2.650 . 2 927 333 90 ASN HB3 H 2.756 . 2 928 333 90 ASN HD21 H 7.482 . 2 929 333 90 ASN HD22 H 6.811 . 2 930 333 90 ASN CA C 54.680 . 1 931 333 90 ASN CB C 40.598 . 1 932 333 90 ASN N N 123.429 . 1 933 333 90 ASN ND2 N 113.073 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D CCC-TOCSY-NNH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 1 198 1 GLY HA2 H 3.860 . 2 2 198 1 GLY HA3 H 3.494 . 2 3 198 1 GLY CA C 43.500 . 1 4 199 2 PRO HA H 4.540 . 1 5 199 2 PRO CA C 62.895 . 1 6 199 2 PRO CB C 32.349 . 1 7 200 3 LEU H H 8.550 . 1 8 200 3 LEU HA H 4.376 . 1 9 200 3 LEU HB2 H 1.664 . 2 10 200 3 LEU HB3 H 1.664 . 2 11 200 3 LEU HD1 H 0.904 . 2 12 200 3 LEU HD2 H 0.904 . 2 13 200 3 LEU HG H 1.664 . 1 14 200 3 LEU CA C 55.117 . 1 15 200 3 LEU CB C 42.107 . 1 16 200 3 LEU CD1 C 23.482 . 1 17 200 3 LEU CD2 C 24.859 . 1 18 200 3 LEU CG C 27.042 . 1 19 200 3 LEU N N 122.526 . 1 20 201 4 GLY H H 8.524 . 1 21 201 4 GLY HA2 H 4.058 . 2 22 201 4 GLY HA3 H 3.981 . 2 23 201 4 GLY CA C 45.337 . 1 24 201 4 GLY N N 110.490 . 1 25 202 5 SER HA H 4.486 . 1 26 202 5 SER HB2 H 3.871 . 2 27 202 5 SER HB3 H 3.952 . 2 28 202 5 SER CA C 58.511 . 1 29 202 5 SER CB C 63.743 . 1 30 202 5 SER N N 115.900 . 1 31 203 6 GLU H H 8.739 . 1 32 203 6 GLU HA H 4.324 . 1 33 203 6 GLU HB2 H 2.048 . 2 34 203 6 GLU HG2 H 2.304 . 2 35 203 6 GLU HG3 H 2.304 . 2 36 203 6 GLU CA C 57.200 . 1 37 203 6 GLU CB C 29.753 . 1 38 203 6 GLU CG C 36.263 . 1 39 203 6 GLU N N 123.101 . 1 40 204 7 LEU H H 8.208 . 1 41 204 7 LEU HA H 4.364 . 1 42 204 7 LEU HB2 H 1.672 . 2 43 204 7 LEU HB3 H 1.672 . 2 44 204 7 LEU HD1 H 0.929 . 2 45 204 7 LEU HD2 H 0.890 . 2 46 204 7 LEU HG H 2.203 . 1 47 204 7 LEU CA C 55.357 . 1 48 204 7 LEU CB C 42.223 . 1 49 204 7 LEU CD1 C 24.900 . 1 50 204 7 LEU CD2 C 23.272 . 1 51 204 7 LEU CG C 27.078 . 1 52 204 7 LEU N N 122.124 . 1 53 205 8 GLU H H 8.296 . 1 54 205 8 GLU HA H 4.622 . 1 55 205 8 GLU HB2 H 2.393 . 2 56 205 8 GLU HB3 H 2.155 . 2 57 205 8 GLU HG2 H 2.493 . 2 58 205 8 GLU HG3 H 2.493 . 2 59 205 8 GLU CA C 55.899 . 1 60 205 8 GLU CB C 30.849 . 1 61 205 8 GLU CG C 36.092 . 1 62 205 8 GLU N N 121.474 . 1 63 206 9 SER H H 8.138 . 1 64 206 9 SER HA H 4.727 . 1 65 206 9 SER HB2 H 3.896 . 2 66 206 9 SER HB3 H 3.777 . 2 67 206 9 SER CA C 56.305 . 1 68 206 9 SER CB C 63.346 . 1 69 206 9 SER N N 119.314 . 1 70 207 10 PRO HA H 2.870 . 1 71 207 10 PRO HB2 H 1.490 . 2 72 207 10 PRO HB3 H 1.573 . 2 73 207 10 PRO HD2 H 2.441 . 2 74 207 10 PRO HD3 H 2.692 . 2 75 207 10 PRO HG2 H 0.993 . 2 76 207 10 PRO HG3 H 0.315 . 2 77 207 10 PRO CA C 60.557 . 1 78 207 10 PRO CB C 26.245 . 1 79 207 10 PRO CD C 49.310 . 1 80 207 10 PRO CG C 29.057 . 1 81 208 11 PRO HA H 3.801 . 1 82 208 11 PRO HB2 H 1.156 . 2 83 208 11 PRO HB3 H 1.410 . 2 84 208 11 PRO HD2 H 3.462 . 2 85 208 11 PRO HG2 H 1.137 . 2 86 208 11 PRO HG3 H 0.428 . 2 87 208 11 PRO CA C 60.932 . 1 88 208 11 PRO CB C 25.870 . 1 89 208 11 PRO CD C 50.106 . 1 90 208 11 PRO CG C 28.050 . 1 91 208 11 PRO N N 134.473 . 1 92 209 12 PRO HA H 4.263 . 1 93 209 12 PRO HB2 H 1.243 . 2 94 209 12 PRO HB3 H 2.236 . 2 95 209 12 PRO HD2 H 1.224 . 2 96 209 12 PRO HD3 H 2.884 . 2 97 209 12 PRO HG2 H 1.414 . 2 98 209 12 PRO HG3 H 1.604 . 2 99 209 12 PRO CA C 61.307 . 1 100 209 12 PRO CB C 30.303 . 1 101 209 12 PRO CD C 48.128 . 1 102 209 12 PRO CG C 28.600 . 1 103 209 12 PRO N N 132.811 . 1 104 210 13 PRO HA H 3.920 . 1 105 210 13 PRO HB2 H 1.816 . 2 106 210 13 PRO HB3 H 2.220 . 2 107 210 13 PRO HD2 H 3.430 . 2 108 210 13 PRO HD3 H 3.512 . 2 109 210 13 PRO HG2 H 1.757 . 2 110 210 13 PRO HG3 H 1.923 . 2 111 210 13 PRO CA C 61.856 . 1 112 210 13 PRO CB C 33.151 . 1 113 210 13 PRO CD C 49.984 . 1 114 210 13 PRO CG C 27.296 . 1 115 210 13 PRO N N 129.930 . 1 116 211 14 TYR H H 8.151 . 1 117 211 14 TYR HA H 3.511 . 1 118 211 14 TYR HB2 H 2.509 . 2 119 211 14 TYR HB3 H 2.638 . 2 120 211 14 TYR HD1 H 6.646 . 3 121 211 14 TYR HD2 H 6.646 . 3 122 211 14 TYR HE1 H 6.420 . 3 123 211 14 TYR HE2 H 6.420 . 3 124 211 14 TYR CA C 61.856 . 1 125 211 14 TYR CB C 38.567 . 1 126 211 14 TYR CD1 C 131.800 . 3 127 211 14 TYR CD2 C 131.800 . 3 128 211 14 TYR CE1 C 118.428 . 3 129 211 14 TYR CE2 C 118.428 . 3 130 211 14 TYR N N 120.171 . 1 131 212 15 SER H H 5.845 . 1 132 212 15 SER HA H 3.994 . 1 133 212 15 SER HB2 H 3.563 . 2 134 212 15 SER HB3 H 3.798 . 2 135 212 15 SER CA C 56.982 . 1 136 212 15 SER CB C 64.565 . 1 137 212 15 SER N N 119.153 . 1 138 213 16 ARG HA H 3.993 . 1 139 213 16 ARG HB2 H 1.494 . 2 140 213 16 ARG HB3 H 1.780 . 2 141 213 16 ARG HD2 H 2.928 . 2 142 213 16 ARG HG2 H 0.710 . 2 143 213 16 ARG HG3 H 1.165 . 2 144 213 16 ARG CA C 58.355 . 1 145 213 16 ARG CB C 29.612 . 1 146 213 16 ARG CD C 42.538 . 1 147 213 16 ARG CG C 26.650 . 1 148 213 16 ARG N N 128.040 . 1 149 214 17 TYR H H 8.131 . 1 150 214 17 TYR HA H 5.003 . 1 151 214 17 TYR HB2 H 2.629 . 2 152 214 17 TYR HB3 H 3.155 . 2 153 214 17 TYR HD1 H 7.134 . 3 154 214 17 TYR HD2 H 7.134 . 3 155 214 17 TYR HE1 H 6.780 . 3 156 214 17 TYR HE2 H 6.780 . 3 157 214 17 TYR CA C 54.370 . 1 158 214 17 TYR CB C 38.052 . 1 159 214 17 TYR CD1 C 132.584 . 3 160 214 17 TYR CD2 C 133.584 . 3 161 214 17 TYR CE1 C 117.900 . 3 162 214 17 TYR CE2 C 117.900 . 3 163 214 17 TYR N N 117.356 . 1 164 215 18 PRO HA H 4.241 . 1 165 215 18 PRO HB2 H 2.063 . 2 166 215 18 PRO HB3 H 2.243 . 2 167 215 18 PRO HD2 H 3.810 . 2 168 215 18 PRO HD3 H 3.912 . 2 169 215 18 PRO HG2 H 2.207 . 2 170 215 18 PRO HG3 H 1.998 . 2 171 215 18 PRO CA C 63.276 . 1 172 215 18 PRO CB C 31.960 . 1 173 215 18 PRO CD C 50.142 . 1 174 215 18 PRO CG C 27.790 . 1 175 215 18 PRO N N 136.647 . 1 176 216 19 MET H H 8.566 . 1 177 216 19 MET HA H 4.579 . 1 178 216 19 MET HB2 H 1.930 . 2 179 216 19 MET HB3 H 2.162 . 2 180 216 19 MET HE H 2.100 . 1 181 216 19 MET HG2 H 2.565 . 2 182 216 19 MET HG3 H 2.606 . 2 183 216 19 MET CA C 54.929 . 1 184 216 19 MET CB C 33.673 . 1 185 216 19 MET CE C 16.786 . 1 186 216 19 MET CG C 31.902 . 1 187 216 19 MET N N 122.359 . 1 188 217 20 ASP H H 7.873 . 1 189 217 20 ASP HA H 4.394 . 1 190 217 20 ASP HB2 H 2.581 . 2 191 217 20 ASP HB3 H 2.728 . 2 192 217 20 ASP CA C 55.721 . 1 193 217 20 ASP CB C 42.495 . 1 194 217 20 ASP N N 126.915 . 1 stop_ save_