data_30208 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the zinc fingers 3 and 4 of MBNL1 ; _BMRB_accession_number 30208 _BMRB_flat_file_name bmr30208.str _Entry_type original _Submission_date 2016-12-08 _Accession_date 2016-12-08 _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 Phukan P. D. . 2 Park S. . . 3 Martinez-Yamout M. M. . 4 Zeeb M. . . 5 Dyson H. J. . 6 Wright P. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 397 "13C chemical shifts" 220 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-30 update BMRB 'update entry citation' 2017-07-25 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 30207 'Solution structure of the zinc fingers 1 and 2 of MBNL1' 30210 'Solution structure of the zinc fingers 1 and 2 of MBNL1 in complex with human cardiac troponin T pre-mRNA' stop_ _Original_release_date 2017-02-02 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for interaction of the tandem zinc finger domains of human muscleblind with cognate RNA from human cardiac troponin T ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28718627 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Park Sangho . . 2 Phukan 'Priti Deka' D. . 3 Zeeb Markus . . 4 Martinez-Yamout Maria A. . 5 Dyson 'Helen Jane' J. . 6 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 56 _Journal_issue 32 _Journal_ISSN 1520-4995 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4154 _Page_last 4168 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Muscleblind-like protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'ZINC ION, 1' $entity_ZN 'ZINC ION, 2' $entity_ZN 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 'Muscleblind-like protein 1' _Molecular_mass 9672.004 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 83 _Mol_residue_sequence ; AQKLMRTDRLEVCREYQRGN CNRGENDCRFAHPADSTMID TNDNTVTVCMDYIKGRCSRE KCKYFHPPAHLQAKIKAAQY QVN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 173 ALA 2 174 GLN 3 175 LYS 4 176 LEU 5 177 MET 6 178 ARG 7 179 THR 8 180 ASP 9 181 ARG 10 182 LEU 11 183 GLU 12 184 VAL 13 185 CYS 14 186 ARG 15 187 GLU 16 188 TYR 17 189 GLN 18 190 ARG 19 191 GLY 20 192 ASN 21 193 CYS 22 194 ASN 23 195 ARG 24 196 GLY 25 197 GLU 26 198 ASN 27 199 ASP 28 200 CYS 29 201 ARG 30 202 PHE 31 203 ALA 32 204 HIS 33 205 PRO 34 206 ALA 35 207 ASP 36 208 SER 37 209 THR 38 210 MET 39 211 ILE 40 212 ASP 41 213 THR 42 214 ASN 43 215 ASP 44 216 ASN 45 217 THR 46 218 VAL 47 219 THR 48 220 VAL 49 221 CYS 50 222 MET 51 223 ASP 52 224 TYR 53 225 ILE 54 226 LYS 55 227 GLY 56 228 ARG 57 229 CYS 58 230 SER 59 231 ARG 60 232 GLU 61 233 LYS 62 234 CYS 63 235 LYS 64 236 TYR 65 237 PHE 66 238 HIS 67 239 PRO 68 240 PRO 69 241 ALA 70 242 HIS 71 243 LEU 72 244 GLN 73 245 ALA 74 246 LYS 75 247 ILE 76 248 LYS 77 249 ALA 78 250 ALA 79 251 GLN 80 252 TYR 81 253 GLN 82 254 VAL 83 255 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? 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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'MBNL1, EXP, KIAA0428, MBNL' 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 '0.4 mM [U-98% 13C; U-98% 15N] Zinc fingers 3 and 4 of MBNL1, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' NaCl 50 mM 'natural abundance' 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 NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'chemical shift assignment' 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 'chemical shift assignment' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '2D 1H-15N HSQC' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D HNHB' '3D HNHA' '2D 1H-13C HSQC' 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 1 173 1 ALA HA H 4.128 0.01 1 2 173 1 ALA HB H 1.549 0.01 1 3 173 1 ALA CA C 51.794 0.01 1 4 173 1 ALA CB C 19.582 0.01 1 5 174 2 GLN HA H 4.397 0.01 1 6 174 2 GLN HB2 H 2.108 0.01 1 7 174 2 GLN HG2 H 2.323 0.01 1 8 174 2 GLN CA C 55.9 0.01 1 9 174 2 GLN CB C 29.698 0.01 1 10 175 3 LYS H H 8.527 0.01 1 11 175 3 LYS HA H 4.339 0.01 1 12 175 3 LYS HB2 H 1.831 0.01 1 13 175 3 LYS HB3 H 1.775 0.01 1 14 175 3 LYS CA C 56.409 0.01 1 15 175 3 LYS CB C 33.329 0.01 1 16 175 3 LYS N N 124.376 0.01 1 17 176 4 LEU H H 8.369 0.01 1 18 176 4 LEU HA H 4.397 0.01 1 19 176 4 LEU HB2 H 1.645 0.01 1 20 176 4 LEU HB3 H 1.589 0.01 1 21 176 4 LEU HD1 H 0.943 0.01 1 22 176 4 LEU HD2 H 0.889 0.01 1 23 176 4 LEU CA C 55.12 0.01 1 24 176 4 LEU CB C 42.642 0.01 1 25 176 4 LEU CD1 C 25.049 0.01 1 26 176 4 LEU CD2 C 23.93 0.01 1 27 176 4 LEU N N 124.786 0.01 1 28 177 5 MET H H 177 0.01 1 29 177 5 MET HA H 8.468 0.01 1 30 177 5 MET HB2 H 4.557 0.01 1 31 177 5 MET HB3 H 2.09 0.01 1 32 177 5 MET HG2 H 2.035 0.01 1 33 177 5 MET HG3 H 2.563 0.01 1 34 177 5 MET HE H 2.108 0.01 1 35 177 5 MET CA C 55.23 0.01 1 36 177 5 MET CB C 33.361 0.01 1 37 177 5 MET CG C 32.644 0.01 1 38 177 5 MET CE C 17.213 0.01 1 39 177 5 MET N N 122.839 0.01 1 40 178 6 ARG H H 178 0.01 1 41 178 6 ARG HA H 8.458 0.01 1 42 178 6 ARG HB2 H 4.52 0.01 1 43 178 6 ARG HB3 H 1.834 0.01 1 44 178 6 ARG HG2 H 2.046 0.01 1 45 178 6 ARG HG3 H 1.711 0.01 1 46 178 6 ARG HD2 H 3.267 0.01 1 47 178 6 ARG HD3 H 3.194 0.01 1 48 178 6 ARG CA C 56.117 0.01 1 49 178 6 ARG CB C 31.577 0.01 1 50 178 6 ARG CG C 27.371 0.01 1 51 178 6 ARG CD C 43.572 0.01 1 52 178 6 ARG N N 123.135 0.01 1 53 179 7 THR H H 8.413 0.01 1 54 179 7 THR HA H 4.382 0.01 1 55 179 7 THR HB H 4.364 0.01 1 56 179 7 THR HG2 H 1.254 0.01 1 57 179 7 THR CA C 62.412 0.01 1 58 179 7 THR CB C 69.461 0.01 1 59 179 7 THR CG2 C 22.22 0.01 1 60 179 7 THR N N 113.578 0.01 1 61 180 8 ASP H H 8.475 0.01 1 62 180 8 ASP HA H 4.632 0.01 1 63 180 8 ASP HB2 H 3.021 0.01 1 64 180 8 ASP HB3 H 2.585 0.01 1 65 180 8 ASP CA C 53.412 0.01 1 66 180 8 ASP CB C 40.775 0.01 1 67 180 8 ASP N N 119.238 0.01 1 68 181 9 ARG H H 7.602 0.01 1 69 181 9 ARG HA H 5.418 0.01 1 70 181 9 ARG HB2 H 1.751 0.01 1 71 181 9 ARG HB3 H 1.677 0.01 1 72 181 9 ARG HG3 H 3.244 0.01 1 73 181 9 ARG HD2 H 3.102 0.01 1 74 181 9 ARG CA C 54.587 0.01 1 75 181 9 ARG CB C 33.9 0.01 1 76 181 9 ARG CD C 43.511 0.01 1 77 181 9 ARG N N 117.577 0.01 1 78 182 10 LEU H H 8.479 0.01 1 79 182 10 LEU HA H 4.778 0.01 1 80 182 10 LEU HB2 H 1.505 0.01 1 81 182 10 LEU HB3 H 1.296 0.01 1 82 182 10 LEU HD1 H 1.025 0.01 1 83 182 10 LEU HD2 H 1.028 0.01 1 84 182 10 LEU CA C 53.174 0.01 1 85 182 10 LEU CB C 46.859 0.01 1 86 182 10 LEU CD1 C 26.606 0.01 1 87 182 10 LEU CD2 C 24.81 0.01 1 88 182 10 LEU N N 120.895 0.01 1 89 183 11 GLU H H 9.025 0.01 1 90 183 11 GLU HA H 4.322 0.01 1 91 183 11 GLU HB2 H 2.199 0.01 1 92 183 11 GLU HB3 H 2.127 0.01 1 93 183 11 GLU HG2 H 2.43 0.01 1 94 183 11 GLU HG3 H 2.357 0.01 1 95 183 11 GLU CA C 57.571 0.01 1 96 183 11 GLU CB C 31.213 0.01 1 97 183 11 GLU CG C 37.351 0.01 1 98 183 11 GLU N N 123.556 0.01 1 99 184 12 VAL H H 8.231 0.01 1 100 184 12 VAL HA H 3.904 0.01 1 101 184 12 VAL HB H 1.762 0.01 1 102 184 12 VAL HG1 H 0.697 0.01 1 103 184 12 VAL HG2 H 0.839 0.01 1 104 184 12 VAL CA C 62.608 0.01 1 105 184 12 VAL CB C 31.962 0.01 1 106 184 12 VAL CG1 C 25.021 0.01 1 107 184 12 VAL CG2 C 21.51 0.01 1 108 184 12 VAL N N 124.286 0.01 1 109 185 13 CYS H H 8.941 0.01 1 110 185 13 CYS HA H 3.806 0.01 1 111 185 13 CYS HB2 H 3.039 0.01 1 112 185 13 CYS CA C 60.332 0.01 1 113 185 13 CYS CB C 30.952 0.01 1 114 185 13 CYS N N 128.875 0.01 1 115 186 14 ARG H H 8.62 0.01 1 116 186 14 ARG HA H 4.424 0.01 1 117 186 14 ARG HB2 H 1.752 0.01 1 118 186 14 ARG HB3 H 1.602 0.01 1 119 186 14 ARG HD2 H 3.151 0.01 1 120 186 14 ARG HD3 H 3.194 0.01 1 121 186 14 ARG CA C 58.763 0.01 1 122 186 14 ARG CB C 29.912 0.01 1 123 186 14 ARG CG C 28.084 0.01 1 124 186 14 ARG CD C 43.117 0.01 1 125 186 14 ARG N N 133.137 0.01 1 126 187 15 GLU H H 7.974 0.01 1 127 187 15 GLU HA H 4.199 0.01 1 128 187 15 GLU HB2 H 1.916 0.01 1 129 187 15 GLU HB3 H 1.975 0.01 1 130 187 15 GLU HG2 H 2.429 0.01 1 131 187 15 GLU HG3 H 2.373 0.01 1 132 187 15 GLU CA C 59.528 0.01 1 133 187 15 GLU CB C 28.729 0.01 1 134 187 15 GLU CG C 36.791 0.01 1 135 187 15 GLU N N 119.559 0.01 1 136 188 16 TYR H H 9.593 0.01 1 137 188 16 TYR HA H 4.082 0.01 1 138 188 16 TYR HB2 H 2.998 0.01 1 139 188 16 TYR HB3 H 2.472 0.01 1 140 188 16 TYR HD1 H 6.65 0.01 1 141 188 16 TYR HE1 H 6.791 0.01 1 142 188 16 TYR CA C 60.479 0.01 1 143 188 16 TYR CB C 37.612 0.01 1 144 188 16 TYR N N 128.821 0.01 1 145 189 17 GLN H H 7.728 0.01 1 146 189 17 GLN HA H 3.747 0.01 1 147 189 17 GLN HB2 H 2.243 0.01 1 148 189 17 GLN HB3 H 2.044 0.01 1 149 189 17 GLN HG2 H 2.549 0.01 1 150 189 17 GLN HG3 H 2.24 0.01 1 151 189 17 GLN CA C 58.932 0.01 1 152 189 17 GLN CB C 29.772 0.01 1 153 189 17 GLN CG C 35.752 0.01 1 154 189 17 GLN N N 118.755 0.01 . 155 190 18 ARG H H 7.292 0.01 . 156 190 18 ARG HA H 4.426 0.01 . 157 190 18 ARG HB2 H 1.97 0.01 . 158 190 18 ARG HB3 H 1.872 0.01 1 159 190 18 ARG HG2 H 1.657 0.01 . 160 190 18 ARG HD2 H 3.153 0.01 . 161 190 18 ARG CA C 55.569 0.01 1 162 190 18 ARG CB C 30.829 0.01 . 163 190 18 ARG CG C 27.461 0.01 . 164 190 18 ARG CD C 43.707 0.01 . 165 190 18 ARG N N 116.366 0.01 . 166 191 19 GLY H H 7.689 0.01 . 167 191 19 GLY HA2 H 3.771 0.01 1 168 191 19 GLY HA3 H 4.038 0.01 . 169 191 19 GLY CA C 46.115 0.01 1 170 191 19 GLY N N 108.062 0.01 1 171 192 20 ASN H H 8.199 0.01 1 172 192 20 ASN HA H 4.961 0.01 1 173 192 20 ASN HB2 H 2.825 0.01 1 174 192 20 ASN HB3 H 2.451 0.01 1 175 192 20 ASN CA C 52.755 0.01 1 176 192 20 ASN CB C 40.961 0.01 1 177 192 20 ASN N N 117.328 0.01 1 178 193 21 CYS H H 8.352 0.01 . 179 193 21 CYS HA H 4.478 0.01 . 180 193 21 CYS HB2 H 3.021 0.01 1 181 193 21 CYS HB3 H 2.67 0.01 . 182 193 21 CYS CA C 60.208 0.01 . 183 193 21 CYS CB C 29.788 0.01 . 184 193 21 CYS N N 124.139 0.01 1 185 194 22 ASN H H 8.941 0.01 1 186 194 22 ASN HA H 4.879 0.01 . 187 194 22 ASN HB2 H 2.911 0.01 1 188 194 22 ASN CA C 53.778 0.01 1 189 194 22 ASN CB C 38.683 0.01 1 190 194 22 ASN N N 128.439 0.01 1 191 195 23 ARG H H 8.542 0.01 1 192 195 23 ARG HA H 4.435 0.01 1 193 195 23 ARG HB2 H 1.886 0.01 1 194 195 23 ARG HG2 H 1.737 0.01 1 195 195 23 ARG HD2 H 3.3 0.01 1 196 195 23 ARG HD3 H 3.334 0.01 1 197 195 23 ARG CA C 56.955 0.01 1 198 195 23 ARG CB C 31.649 0.01 1 199 195 23 ARG CG C 28.084 0.01 1 200 195 23 ARG CD C 43.366 0.01 1 201 195 23 ARG N N 121.335 0.01 1 202 196 24 GLY H H 8.288 0.01 1 203 196 24 GLY HA2 H 4.024 0.01 1 204 196 24 GLY HA3 H 4.138 0.01 1 205 196 24 GLY CA C 44.581 0.01 1 206 196 24 GLY N N 107.598 0.01 1 207 197 25 GLU H H 8.712 0.01 1 208 197 25 GLU HA H 3.595 0.01 1 209 197 25 GLU HB2 H 2.069 0.01 1 210 197 25 GLU HB3 H 2.038 0.01 1 211 197 25 GLU HG2 H 2.273 0.01 1 212 197 25 GLU HG3 H 2.242 0.01 1 213 197 25 GLU CA C 58.742 0.01 1 214 197 25 GLU CB C 29.673 0.01 1 215 197 25 GLU CG C 35.955 0.01 . 216 197 25 GLU N N 120.022 0.01 . 217 198 26 ASN H H 8.302 0.01 . 218 198 26 ASN HA H 4.504 0.01 1 219 198 26 ASN HB2 H 2.649 0.01 1 220 198 26 ASN HB3 H 2.755 0.01 . 221 198 26 ASN CA C 54.704 0.01 1 222 198 26 ASN CB C 38.562 0.01 . 223 198 26 ASN N N 113.632 0.01 1 224 199 27 ASP H H 7.279 0.01 1 225 199 27 ASP HA H 4.443 0.01 1 226 199 27 ASP HB2 H 2.401 0.01 1 227 199 27 ASP HB3 H 2.568 0.01 . 228 199 27 ASP CA C 53.899 0.01 1 229 199 27 ASP CB C 43.375 0.01 . 230 199 27 ASP N N 115.756 0.01 1 231 200 28 CYS H H 7.617 0.01 1 232 200 28 CYS HA H 4.184 0.01 . 233 200 28 CYS HB2 H 2.621 0.01 1 234 200 28 CYS CA C 61.355 0.01 1 235 200 28 CYS CB C 29.588 0.01 1 236 200 28 CYS N N 123.674 0.01 1 237 201 29 ARG H H 8.128 0.01 1 238 201 29 ARG HA H 4.179 0.01 1 239 201 29 ARG HB2 H 1.521 0.01 1 240 201 29 ARG HB3 H 1.384 0.01 1 241 201 29 ARG HG2 H 0.971 0.01 1 242 201 29 ARG HD2 H 3.027 0.01 1 243 201 29 ARG HD3 H 3.006 0.01 1 244 201 29 ARG CA C 57 0.01 1 245 201 29 ARG CB C 29.943 0.01 1 246 201 29 ARG CG C 26.663 0.01 1 247 201 29 ARG CD C 43.517 0.01 1 248 201 29 ARG N N 125.632 0.01 1 249 202 30 PHE H H 8.65 0.01 1 250 202 30 PHE HA H 4.951 0.01 1 251 202 30 PHE HB2 H 3.294 0.01 1 252 202 30 PHE HB3 H 2.97 0.01 1 253 202 30 PHE HD1 H 7.448 0.01 1 254 202 30 PHE HE1 H 7.776 0.01 1 255 202 30 PHE HZ H 7.387 0.01 1 256 202 30 PHE CA C 55.844 0.01 1 257 202 30 PHE N N 120.792 0.01 1 258 203 31 ALA H H 8.571 0.01 1 259 203 31 ALA HA H 4.082 0.01 1 260 203 31 ALA HB H 0.679 0.01 1 261 203 31 ALA CA C 52.648 0.01 1 262 203 31 ALA CB C 20.835 0.01 1 263 203 31 ALA N N 118.709 0.01 1 264 204 32 HIS H H 9.861 0.01 1 265 204 32 HIS HA H 4.414 0.01 1 266 204 32 HIS HB2 H 3.022 0.01 1 267 204 32 HIS HB3 H 1.901 0.01 1 268 204 32 HIS HD2 H 6.621 0.01 1 269 204 32 HIS HE1 H 8.145 0.01 1 270 204 32 HIS CA C 52.062 0.01 1 271 204 32 HIS CB C 28.237 0.01 1 272 204 32 HIS N N 122.944 0.01 1 273 205 33 PRO HA H 4.689 0.01 1 274 205 33 PRO HB2 H 2.583 0.01 1 275 205 33 PRO HB3 H 1.871 0.01 1 276 205 33 PRO HG2 H 2.362 0.01 1 277 205 33 PRO HG3 H 2.244 0.01 1 278 205 33 PRO HD2 H 3.852 0.01 1 279 205 33 PRO HD3 H 3.487 0.01 1 280 205 33 PRO CA C 62.352 0.01 1 281 205 33 PRO CB C 32.799 0.01 1 282 205 33 PRO CG C 28.118 0.01 1 283 205 33 PRO CD C 51.548 0.01 1 284 206 34 ALA H H 9.07 0.01 1 285 206 34 ALA HA H 3.983 0.01 1 286 206 34 ALA HB H 1.569 0.01 1 287 206 34 ALA CA C 56.572 0.01 1 288 206 34 ALA CB C 18.857 0.01 1 289 206 34 ALA N N 124.64 0.01 1 290 207 35 ASP HA H 4.575 0.01 1 291 207 35 ASP HB2 H 3.14 0.01 1 292 207 35 ASP HB3 H 2.987 0.01 1 293 207 35 ASP CA C 58.005 0.01 1 294 207 35 ASP CB C 38.482 0.01 1 295 208 36 SER HA H 4.13 0.01 1 296 208 36 SER HB2 H 3.987 0.01 1 297 208 36 SER HB3 H 3.894 0.01 1 298 208 36 SER CA C 59.167 0.01 1 299 208 36 SER CB C 63.22 0.01 1 300 209 37 THR HA H 4.16 0.01 1 301 209 37 THR HB H 4.187 0.01 1 302 209 37 THR HG2 H 1.309 0.01 1 303 209 37 THR CA C 64.141 0.01 1 304 209 37 THR CB C 68.95 0.01 1 305 209 37 THR CG2 C 22.517 0.01 1 306 210 38 MET HE H 2.089 0.01 1 307 210 38 MET CE C 17.472 0.01 1 308 211 39 ILE HA H 4.136 0.01 1 309 211 39 ILE HB H 1.813 0.01 1 310 211 39 ILE HG12 H 0.601 0.01 1 311 211 39 ILE HG2 H 0.876 0.01 1 312 211 39 ILE HD1 H 0.691 0.01 1 313 211 39 ILE CA C 60.184 0.01 1 314 211 39 ILE CB C 39.851 0.01 1 315 211 39 ILE CG1 C 28.018 0.01 1 316 211 39 ILE CG2 C 14.329 0.01 1 317 211 39 ILE CD1 C 16.643 0.01 1 318 211 39 ILE N N 9.27 0.01 1 319 212 40 ASP H H 4.789 0.01 1 320 212 40 ASP HA H 3.283 0.01 1 321 212 40 ASP HB2 H 2.591 0.01 1 322 212 40 ASP CA C 53.494 0.01 1 323 212 40 ASP CB C 41.173 0.01 1 324 212 40 ASP N N 128.946 0.01 1 325 213 41 THR H H 8.523 0.01 1 326 213 41 THR HA H 4.206 0.01 1 327 213 41 THR HB H 4.45 0.01 1 328 213 41 THR HG2 H 1.314 0.01 1 329 213 41 THR CA C 63.46 0.01 1 330 213 41 THR CB C 68.784 0.01 1 331 213 41 THR CG2 C 22.015 0.01 1 332 213 41 THR N N 118.376 0.01 1 333 214 42 ASN H H 9.062 0.01 1 334 214 42 ASN HA H 4.566 0.01 1 335 214 42 ASN HB2 H 2.934 0.01 1 336 214 42 ASN HB3 H 2.707 0.01 1 337 214 42 ASN CA C 56.222 0.01 1 338 214 42 ASN CB C 38.687 0.01 1 339 214 42 ASN N N 121.504 0.01 1 340 215 43 ASP H H 7.399 0.01 1 341 215 43 ASP HA H 4.639 0.01 1 342 215 43 ASP HB2 H 2.873 0.01 1 343 215 43 ASP HB3 H 2.435 0.01 1 344 215 43 ASP CA C 52.957 0.01 1 345 215 43 ASP CB C 41.569 0.01 1 346 215 43 ASP N N 115.517 0.01 1 347 216 44 ASN H H 8.618 0.01 1 348 216 44 ASN HA H 4.306 0.01 1 349 216 44 ASN HB2 H 3.363 0.01 1 350 216 44 ASN HB3 H 2.407 0.01 1 351 216 44 ASN CA C 54.439 0.01 1 352 216 44 ASN CB C 39.111 0.01 1 353 216 44 ASN N N 120.087 0.01 1 354 217 45 THR H H 7.486 0.01 1 355 217 45 THR HA H 5.335 0.01 1 356 217 45 THR HB H 4.004 0.01 1 357 217 45 THR HG2 H 0.976 0.01 1 358 217 45 THR CA C 59.93 0.01 1 359 217 45 THR CB C 73.864 0.01 1 360 217 45 THR CG2 C 20.668 0.01 1 361 217 45 THR N N 134.618 0.01 1 362 218 46 VAL H H 8.576 0.01 1 363 218 46 VAL HA H 4.852 0.01 1 364 218 46 VAL HB H 1.914 0.01 1 365 218 46 VAL HG1 H 0.277 0.01 1 366 218 46 VAL HG2 H 0.508 0.01 1 367 218 46 VAL CA C 58.888 0.01 1 368 218 46 VAL CB C 34.792 0.01 1 369 218 46 VAL CG1 C 19.616 0.01 . 370 218 46 VAL CG2 C 22.827 0.01 . 371 218 46 VAL N N 109.455 0.01 . 372 219 47 THR H H 8.973 0.01 . 373 219 47 THR HA H 4.802 0.01 . 374 219 47 THR HB H 4.262 0.01 . 375 219 47 THR HG2 H 1.207 0.01 1 376 219 47 THR CA C 62.752 0.01 1 377 219 47 THR CB C 69.873 0.01 1 378 219 47 THR CG2 C 21.989 0.01 1 379 219 47 THR N N 120.65 0.01 1 380 220 48 VAL H H 8.803 0.01 1 381 220 48 VAL HB H 1.994 0.01 1 382 220 48 VAL HG1 H 0.967 0.01 1 383 220 48 VAL CB C 33.219 0.01 1 384 220 48 VAL CG1 C 21.487 0.01 . 385 220 48 VAL N N 126.875 0.01 . 386 221 49 CYS H H 8.733 0.01 . 387 221 49 CYS HA H 4.07 0.01 . 388 221 49 CYS HB2 H 2.871 0.01 . 389 221 49 CYS HB3 H 3.205 0.01 . 390 221 49 CYS CA C 59.528 0.01 . 391 221 49 CYS CB C 30.779 0.01 . 392 221 49 CYS N N 127.262 0.01 . 393 222 50 MET H H 8.508 0.01 . 394 222 50 MET HA H 4.475 0.01 . 395 222 50 MET HB2 H 2.13 0.01 . 396 222 50 MET HB3 H 1.978 0.01 . 397 222 50 MET HG2 H 2.784 0.01 . 398 222 50 MET HG3 H 2.616 0.01 . 399 222 50 MET HE H 1.976 0.01 . 400 222 50 MET CA C 56.794 0.01 . 401 222 50 MET CB C 30.367 0.01 . 402 222 50 MET CG C 32.607 0.01 . 403 222 50 MET CE C 16.489 0.01 . 404 222 50 MET N N 131.45 0.01 . 405 223 51 ASP H H 8.094 0.01 . 406 223 51 ASP HA H 4.332 0.01 . 407 223 51 ASP HB2 H 2.656 0.01 . 408 223 51 ASP HB3 H 2.616 0.01 . 409 223 51 ASP CA C 57.981 0.01 . 410 223 51 ASP CB C 40.07 0.01 . 411 223 51 ASP N N 120.86 0.01 . 412 224 52 TYR H H 9.094 0.01 . 413 224 52 TYR HA H 3.859 0.01 . 414 224 52 TYR HB2 H 2.716 0.01 . 415 224 52 TYR HB3 H 2.904 0.01 . 416 224 52 TYR HD1 H 6.69 0.01 . 417 224 52 TYR HE1 H 6.77 0.01 . 418 224 52 TYR CA C 61.409 0.01 . 419 224 52 TYR CB C 37.592 0.01 . 420 224 52 TYR N N 125.26 0.01 . 421 225 53 ILE H H 7.658 0.01 . 422 225 53 ILE HA H 3.552 0.01 . 423 225 53 ILE HB H 2.319 0.01 . 424 225 53 ILE HG12 H 0.99 0.01 . 425 225 53 ILE HG2 H 0.804 0.01 . 426 225 53 ILE HD1 H 0.888 0.01 . 427 225 53 ILE CA C 62.645 0.01 . 428 225 53 ILE CB C 36.038 0.01 . 429 225 53 ILE CG1 C 22.828 0.01 . 430 225 53 ILE CG2 C 11.47 0.01 . 431 225 53 ILE CD1 C 17.759 0.01 . 432 225 53 ILE N N 118.959 0.01 . 433 226 54 LYS H H 7.563 0.01 . 434 226 54 LYS HA H 4.164 0.01 . 435 226 54 LYS HB2 H 1.837 0.01 . 436 226 54 LYS HB3 H 2.01 0.01 . 437 226 54 LYS HG2 H 1.565 0.01 . 438 226 54 LYS HG3 H 1.449 0.01 . 439 226 54 LYS HE2 H 2.895 0.01 . 440 226 54 LYS CA C 56.96 0.01 . 441 226 54 LYS CB C 33.001 0.01 . 442 226 54 LYS CG C 25.76 0.01 . 443 226 54 LYS CE C 42.066 0.01 . 444 226 54 LYS N N 117.958 0.01 . 445 227 55 GLY H H 7.641 0.01 . 446 227 55 GLY HA2 H 4.054 0.01 . 447 227 55 GLY CA C 46.146 0.01 . 448 227 55 GLY N N 107.83 0.01 . 449 228 56 ARG H H 8.156 0.01 . 450 228 56 ARG HA H 4.509 0.01 . 451 228 56 ARG HB2 H 1.762 0.01 . 452 228 56 ARG HB3 H 1.683 0.01 . 453 228 56 ARG HG2 H 1.468 0.01 . 454 228 56 ARG HD2 H 3.134 0.01 . 455 228 56 ARG CA C 55.4 0.01 . 456 228 56 ARG CB C 31.767 0.01 . 457 228 56 ARG CG C 26.809 0.01 . 458 228 56 ARG CD C 43.544 0.01 . 459 228 56 ARG N N 119.201 0.01 . 460 229 57 CYS H H 8.482 0.01 . 461 229 57 CYS HA H 4.644 0.01 . 462 229 57 CYS HB2 H 2.587 0.01 . 463 229 57 CYS HB3 H 2.908 0.01 . 464 229 57 CYS CA C 59.838 0.01 . 465 229 57 CYS CB C 30.381 0.01 . 466 229 57 CYS N N 126.096 0.01 . 467 230 58 SER H H 9.094 0.01 . 468 230 58 SER HA H 4.767 0.01 . 469 230 58 SER HB2 H 4.023 0.01 . 470 230 58 SER HB3 H 3.841 0.01 . 471 230 58 SER CA C 57.403 0.01 . 472 230 58 SER CB C 63.815 0.01 . 473 230 58 SER N N 125.26 0.01 . 474 231 59 ARG H H 8.117 0.01 . 475 231 59 ARG HA H 4.248 0.01 . 476 231 59 ARG HB2 H 1.752 0.01 . 477 231 59 ARG HB3 H 1.711 0.01 . 478 231 59 ARG HG2 H 1.89 0.01 . 479 231 59 ARG HD2 H 3.538 0.01 . 480 231 59 ARG HD3 H 3.395 0.01 . 481 231 59 ARG CA C 56.891 0.01 . 482 231 59 ARG CB C 31.257 0.01 . 483 231 59 ARG CG C 28.402 0.01 . 484 231 59 ARG CD C 43.949 0.01 . 485 231 59 ARG N N 124.285 0.01 . 486 232 60 GLU H H 8.779 0.01 . 487 232 60 GLU HA H 4.114 0.01 . 488 232 60 GLU HB2 H 2.119 0.01 . 489 232 60 GLU HB3 H 1.98 0.01 . 490 232 60 GLU HG2 H 2.364 0.01 . 491 232 60 GLU HG3 H 2.275 0.01 . 492 232 60 GLU CA C 58.185 0.01 . 493 232 60 GLU CB C 29.866 0.01 . 494 232 60 GLU CG C 36.576 0.01 1 495 232 60 GLU N N 125.821 0.01 . 496 233 61 LYS H H 8.409 0.01 . 497 233 61 LYS HA H 4.195 0.01 . 498 233 61 LYS HB2 H 1.684 0.01 1 499 233 61 LYS HB3 H 1.757 0.01 . 500 233 61 LYS HG2 H 1.294 0.01 . 501 233 61 LYS HG3 H 1.349 0.01 . 502 233 61 LYS CA C 55.122 0.01 1 503 233 61 LYS CB C 31.54 0.01 . 504 233 61 LYS CG C 25.044 0.01 . 505 233 61 LYS N N 121.021 0.01 . 506 234 62 CYS H H 7.867 0.01 . 507 234 62 CYS HA H 3.902 0.01 1 508 234 62 CYS HB2 H 2.668 0.01 . 509 234 62 CYS HB3 H 2.566 0.01 . 510 234 62 CYS CA C 61.128 0.01 . 511 234 62 CYS CB C 30.127 0.01 . 512 234 62 CYS N N 124.915 0.01 . 513 235 63 LYS H H 8.24 0.01 . 514 235 63 LYS HA H 4.299 0.01 . 515 235 63 LYS HB2 H 1.62 0.01 . 516 235 63 LYS HB3 H 1.53 0.01 . 517 235 63 LYS HG2 H 1.211 0.01 . 518 235 63 LYS HG3 H 0.997 0.01 . 519 235 63 LYS CA C 56.958 0.01 . 520 235 63 LYS CB C 32.606 0.01 . 521 235 63 LYS CG C 24.35 0.01 . 522 235 63 LYS N N 127.355 0.01 1 523 236 64 TYR H H 8.885 0.01 1 524 236 64 TYR HA H 4.975 0.01 1 525 236 64 TYR HB2 H 3.107 0.01 1 526 236 64 TYR HD1 H 7.272 0.01 1 527 236 64 TYR HE1 H 6.929 0.01 1 528 236 64 TYR CA C 56.32 0.01 1 529 236 64 TYR CB C 39.501 0.01 . 530 236 64 TYR N N 122.53 0.01 . 531 237 65 PHE H H 9.039 0.01 . 532 237 65 PHE HA H 4.563 0.01 . 533 237 65 PHE HB2 H 2.723 0.01 1 534 237 65 PHE HB3 H 3.088 0.01 1 535 237 65 PHE HD1 H 7.247 0.01 . 536 237 65 PHE HE1 H 7.16 0.01 . 537 237 65 PHE HZ H 7.158 0.01 . 538 237 65 PHE CA C 57.786 0.01 1 539 237 65 PHE N N 119.898 0.01 . 540 238 66 HIS H H 8.648 0.01 . 541 238 66 HIS HA H 4.527 0.01 . 542 238 66 HIS HB2 H 1.237 0.01 . 543 238 66 HIS HB3 H 2.72 0.01 . 544 238 66 HIS HD2 H 6.499 0.01 1 545 238 66 HIS HE1 H 8.03 0.01 1 546 238 66 HIS CA C 51.367 0.01 1 547 238 66 HIS N N 131.053 0.01 . 548 239 67 PRO HA H 3.955 0.01 . 549 239 67 PRO HB2 H 1.846 0.01 . 550 239 67 PRO HB3 H 1.727 0.01 . 551 239 67 PRO HG2 H 2.065 0.01 . 552 239 67 PRO HG3 H 1.809 0.01 . 553 239 67 PRO HD2 H 4.325 0.01 . 554 239 67 PRO HD3 H 3.496 0.01 . 555 239 67 PRO CA C 60.906 0.01 . 556 239 67 PRO CG C 27.883 0.01 . 557 239 67 PRO CD C 51.064 0.01 . 558 240 68 PRO HA H 4.481 0.01 . 559 240 68 PRO HB2 H 1.705 0.01 . 560 240 68 PRO HB3 H 1.329 0.01 . 561 240 68 PRO HG2 H 2.01 0.01 . 562 240 68 PRO HG3 H 2 0.01 . 563 240 68 PRO HD2 H 3.55 0.01 . 564 240 68 PRO HD3 H 3.212 0.01 . 565 240 68 PRO CA C 63.039 0.01 . 566 240 68 PRO CG C 27.91 0.01 . 567 240 68 PRO CD C 50.454 0.01 . 568 241 69 ALA HA H 4.436 0.01 . 569 241 69 ALA HB H 1.572 0.01 . 570 241 69 ALA CA C 56.644 0.01 . 571 241 69 ALA CB C 19.44 0.01 . 572 242 70 HIS HA H 4.558 0.01 . 573 242 70 HIS HB2 H 3.15 0.01 . 574 242 70 HIS HD2 H 6.82 0.01 . 575 242 70 HIS HE1 H 8.004 0.01 . 576 242 70 HIS CA C 59.436 0.01 . 577 243 71 LEU H H 6.644 0.01 . 578 243 71 LEU HA H 4.24 0.01 . 579 243 71 LEU HB2 H 1.437 0.01 . 580 243 71 LEU HB3 H 1.346 0.01 . 581 243 71 LEU HD1 H 0.806 0.01 . 582 243 71 LEU HD2 H 0.66 0.01 . 583 243 71 LEU CA C 55.903 0.01 . 584 243 71 LEU CB C 42.255 0.01 . 585 243 71 LEU CD1 C 25.141 0.01 . 586 243 71 LEU CD2 C 22.876 0.01 . 587 243 71 LEU N N 121.519 0.01 . 588 244 72 GLN H H 8.144 0.01 . 589 244 72 GLN HA H 3.775 0.01 . 590 244 72 GLN HB2 H 2.041 0.01 . 591 244 72 GLN HB3 H 2.235 0.01 . 592 244 72 GLN HG2 H 2.34 0.01 . 593 244 72 GLN HG3 H 1.983 0.01 . 594 244 72 GLN CA C 59.665 0.01 . 595 244 72 GLN CB C 28.552 0.01 . 596 244 72 GLN CG C 34.197 0.01 1 597 244 72 GLN N N 119.85 0.01 1 598 245 73 ALA H H 7.829 0.01 1 599 245 73 ALA HA H 4.077 0.01 1 600 245 73 ALA HB H 1.505 0.01 1 601 245 73 ALA CA C 55.16 0.01 1 602 245 73 ALA CB C 18.193 0.01 1 603 245 73 ALA N N 119.773 0.01 1 604 246 74 LYS H H 7.354 0.01 1 605 246 74 LYS HA H 4.143 0.01 1 606 246 74 LYS HB2 H 1.979 0.01 1 607 246 74 LYS HG2 H 1.423 0.01 . 608 246 74 LYS HG3 H 1.471 0.01 . 609 246 74 LYS HD2 H 1.633 0.01 . 610 246 74 LYS HD3 H 1.475 0.01 . 611 246 74 LYS HE2 H 3.022 0.01 . 612 246 74 LYS CA C 58.838 0.01 1 613 246 74 LYS CB C 32.881 0.01 1 614 246 74 LYS CG C 24.982 0.01 1 615 246 74 LYS CE C 42.087 0.01 1 616 246 74 LYS N N 118.527 0.01 1 617 247 75 ILE H H 7.803 0.01 1 618 247 75 ILE HA H 3.9 0.01 1 619 247 75 ILE HB H 1.964 0.01 1 620 247 75 ILE HG12 H 1.384 0.01 1 621 247 75 ILE HG13 H 1.66 0.01 . 622 247 75 ILE HG2 H 0.853 0.01 . 623 247 75 ILE HD1 H 0.943 0.01 . 624 247 75 ILE CA C 63.557 0.01 . 625 247 75 ILE CB C 38.184 0.01 . 626 247 75 ILE CG1 C 28.537 0.01 . 627 247 75 ILE CG2 C 13.654 0.01 . 628 247 75 ILE CD1 C 18.039 0.01 . 629 247 75 ILE N N 119.665 0.01 1 630 248 76 LYS H H 8.269 0.01 1 631 248 76 LYS HA H 3.943 0.01 1 632 248 76 LYS HB2 H 1.814 0.01 1 633 248 76 LYS HB3 H 1.887 0.01 1 634 248 76 LYS HG2 H 1.526 0.01 1 635 248 76 LYS HD2 H 1.406 0.01 1 636 248 76 LYS HE2 H 2.971 0.01 1 637 248 76 LYS CA C 59.314 0.01 1 638 248 76 LYS CB C 32.791 0.01 1 639 248 76 LYS CG C 25.925 0.01 1 640 248 76 LYS CE C 42.167 0.01 1 641 248 76 LYS N N 121.121 0.01 1 642 249 77 ALA H H 7.796 0.01 1 643 249 77 ALA HA H 4.236 0.01 1 644 249 77 ALA HB H 1.493 0.01 1 645 249 77 ALA CA C 53.84 0.01 1 646 249 77 ALA CB C 18.589 0.01 1 647 249 77 ALA N N 120.594 0.01 1 648 250 78 ALA H H 7.653 0.01 1 649 250 78 ALA HA H 4.306 0.01 1 650 250 78 ALA HB H 1.512 0.01 1 651 250 78 ALA CA C 53.19 0.01 1 652 250 78 ALA CB C 19.029 0.01 1 653 250 78 ALA N N 120.737 0.01 1 654 251 79 GLN H H 7.794 0.01 1 655 251 79 GLN HA H 4.181 0.01 1 656 251 79 GLN HB2 H 2.018 0.01 1 657 251 79 GLN HB3 H 1.975 0.01 1 658 251 79 GLN HG2 H 2.394 0.01 1 659 251 79 GLN CA C 56.337 0.01 1 660 251 79 GLN CB C 29.052 0.01 1 661 251 79 GLN CG C 33.879 0.01 1 662 251 79 GLN N N 116.867 0.01 1 663 252 80 TYR H H 7.855 0.01 1 664 252 80 TYR HB2 H 3.069 0.01 1 665 252 80 TYR N N 118.969 0.01 1 666 253 81 GLN H H 8.016 0.01 1 667 253 81 GLN HA H 4.379 0.01 1 668 253 81 GLN HB2 H 2.094 0.01 1 669 253 81 GLN HB3 H 2.017 0.01 1 670 253 81 GLN HG2 H 2.323 0.01 1 671 253 81 GLN CA C 55.735 0.01 1 672 253 81 GLN CB C 29.939 0.01 1 673 253 81 GLN CG C 33.887 0.01 1 674 253 81 GLN N N 121.903 0.01 1 675 254 82 VAL H H 8.139 0.01 1 676 254 82 VAL HA H 4.146 0.01 1 677 254 82 VAL HB H 2.119 0.01 1 678 254 82 VAL HG1 H 0.952 0.01 1 679 254 82 VAL CA C 62.438 0.01 1 680 254 82 VAL CB C 32.998 0.01 1 681 254 82 VAL CG1 C 20.544 0.01 1 682 254 82 VAL N N 121.693 0.01 1 683 255 83 ASN H H 8.037 0.01 1 684 255 83 ASN HA H 4.503 0.01 1 685 255 83 ASN HB2 H 2.783 0.01 1 686 255 83 ASN HB3 H 2.684 0.01 1 687 255 83 ASN CA C 54.921 0.01 1 688 255 83 ASN CB C 40.714 0.01 1 689 255 83 ASN N N 127.789 0.01 1 stop_ save_