data_26659 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for SRC in the sugar-free state ; _BMRB_accession_number 26659 _BMRB_flat_file_name bmr26659.str _Entry_type original _Submission_date 2015-09-16 _Accession_date 2015-09-16 _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 Hemmi Hikaru . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 642 "13C chemical shifts" 444 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-03 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26660 src-lactose 26661 src-6'-sialyllactose stop_ _Original_release_date 2015-09-16 save_ ############################# # Citation for this entry # ############################# save_citation1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR analysis on the sialic acid-binding mechanism of an R-type lectin mutant by natural evolution-mimicry ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27172906 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hemmi Hikaru . . 2 Kuno Atsushi . . 3 Unno Sachiko . . 4 Hirabayashi Jun . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_name_full 'FEBS letters' _Journal_volume 590 _Journal_issue 12 _Journal_ISSN 1873-3468 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1720 _Page_last 1728 _Year 2016 _Details . loop_ _Keyword 'NMR spectroscopy' 'R-type lectin' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name src _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label src $src 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_src _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common src _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; PKFFYIKSELNGKVLDIGGQ NPAPGSKIITWDQKKGPTAV NQLWYTDQQGVIRSKLNDFA IDASHEQIETQPFDPNNPKR AWIVSGNTIAQLSDRDNVLG VIKSDKGASAHICAWKQHGG PNQKFIIESE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 131 PRO 2 132 LYS 3 133 PHE 4 134 PHE 5 135 TYR 6 136 ILE 7 137 LYS 8 138 SER 9 139 GLU 10 140 LEU 11 141 ASN 12 142 GLY 13 143 LYS 14 144 VAL 15 145 LEU 16 146 ASP 17 147 ILE 18 148 GLY 19 149 GLY 20 150 GLN 21 151 ASN 22 152 PRO 23 153 ALA 24 154 PRO 25 155 GLY 26 156 SER 27 157 LYS 28 158 ILE 29 159 ILE 30 160 THR 31 161 TRP 32 162 ASP 33 163 GLN 34 164 LYS 35 165 LYS 36 166 GLY 37 167 PRO 38 168 THR 39 169 ALA 40 170 VAL 41 171 ASN 42 172 GLN 43 173 LEU 44 174 TRP 45 175 TYR 46 176 THR 47 177 ASP 48 178 GLN 49 179 GLN 50 180 GLY 51 181 VAL 52 182 ILE 53 183 ARG 54 184 SER 55 185 LYS 56 186 LEU 57 187 ASN 58 188 ASP 59 189 PHE 60 190 ALA 61 191 ILE 62 192 ASP 63 193 ALA 64 194 SER 65 195 HIS 66 196 GLU 67 197 GLN 68 198 ILE 69 199 GLU 70 200 THR 71 201 GLN 72 202 PRO 73 203 PHE 74 204 ASP 75 205 PRO 76 206 ASN 77 207 ASN 78 208 PRO 79 209 LYS 80 210 ARG 81 211 ALA 82 212 TRP 83 213 ILE 84 214 VAL 85 215 SER 86 216 GLY 87 217 ASN 88 218 THR 89 219 ILE 90 220 ALA 91 221 GLN 92 222 LEU 93 223 SER 94 224 ASP 95 225 ARG 96 226 ASP 97 227 ASN 98 228 VAL 99 229 LEU 100 230 GLY 101 231 VAL 102 232 ILE 103 233 LYS 104 234 SER 105 235 ASP 106 236 LYS 107 237 GLY 108 238 ALA 109 239 SER 110 240 ALA 111 241 HIS 112 242 ILE 113 243 CYS 114 244 ALA 115 245 TRP 116 246 LYS 117 247 GLN 118 248 HIS 119 249 GLY 120 250 GLY 121 251 PRO 122 252 ASN 123 253 GLN 124 254 LYS 125 255 PHE 126 256 ILE 127 257 ILE 128 258 GLU 129 259 SER 130 260 GLU 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 $src earthworm 6398 Eukaryota Metazoa Lumbricus terrestris 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 $src 'recombinant technology' . Escherichia coli . pET-27b 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 $src 0.9 mM '[U-95% 13C; U-95% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _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_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _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_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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 7.0 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aromatic' '3D HCCH-COSY' 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 src _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 1 131 1 PRO HA H 4.452 . 1 2 131 1 PRO HB2 H 2.180 . 1 3 131 1 PRO HB3 H 1.518 . 1 4 131 1 PRO HG2 H 1.796 . 2 5 131 1 PRO HG3 H 1.796 . 2 6 131 1 PRO HD2 H 3.852 . 1 7 131 1 PRO HD3 H 3.592 . 1 8 131 1 PRO C C 175.517 . 1 9 131 1 PRO CA C 62.884 . 1 10 131 1 PRO CB C 32.393 . 1 11 131 1 PRO CG C 27.282 . 1 12 131 1 PRO CD C 50.754 . 1 13 132 2 LYS H H 8.222 . 1 14 132 2 LYS HA H 4.324 . 1 15 132 2 LYS HB2 H 1.825 . 2 16 132 2 LYS HB3 H 1.825 . 2 17 132 2 LYS HG2 H 1.466 . 1 18 132 2 LYS HG3 H 1.298 . 1 19 132 2 LYS HD2 H 1.759 . 2 20 132 2 LYS HD3 H 1.759 . 2 21 132 2 LYS HE2 H 3.014 . 2 22 132 2 LYS HE3 H 3.014 . 2 23 132 2 LYS C C 175.751 . 1 24 132 2 LYS CA C 56.332 . 1 25 132 2 LYS CB C 33.385 . 1 26 132 2 LYS CG C 24.896 . 1 27 132 2 LYS CD C 29.078 . 1 28 132 2 LYS CE C 42.270 . 1 29 132 2 LYS N N 121.469 . 1 30 133 3 PHE H H 8.378 . 1 31 133 3 PHE HA H 5.707 . 1 32 133 3 PHE HB2 H 3.083 . 2 33 133 3 PHE HB3 H 3.083 . 2 34 133 3 PHE HD1 H 7.339 . 3 35 133 3 PHE HD2 H 7.339 . 3 36 133 3 PHE HE1 H 7.226 . 3 37 133 3 PHE HE2 H 7.226 . 3 38 133 3 PHE HZ H 6.988 . 1 39 133 3 PHE C C 176.468 . 1 40 133 3 PHE CA C 56.868 . 1 41 133 3 PHE CB C 42.477 . 1 42 133 3 PHE CD1 C 132.211 . 3 43 133 3 PHE CD2 C 132.211 . 3 44 133 3 PHE CE1 C 131.041 . 3 45 133 3 PHE CE2 C 131.041 . 3 46 133 3 PHE CZ C 128.011 . 1 47 133 3 PHE N N 118.959 . 1 48 134 4 PHE H H 9.481 . 1 49 134 4 PHE HA H 5.582 . 1 50 134 4 PHE HB2 H 3.129 . 2 51 134 4 PHE HB3 H 3.129 . 2 52 134 4 PHE HD1 H 7.335 . 3 53 134 4 PHE HD2 H 7.335 . 3 54 134 4 PHE HE1 H 7.237 . 3 55 134 4 PHE HE2 H 7.237 . 3 56 134 4 PHE HZ H 7.002 . 1 57 134 4 PHE C C 174.420 . 1 58 134 4 PHE CA C 55.724 . 1 59 134 4 PHE CB C 42.424 . 1 60 134 4 PHE CD1 C 132.131 . 3 61 134 4 PHE CD2 C 132.131 . 3 62 134 4 PHE CE1 C 130.163 . 3 63 134 4 PHE CE2 C 130.163 . 3 64 134 4 PHE CZ C 128.011 . 1 65 134 4 PHE N N 117.392 . 1 66 135 5 TYR H H 10.031 . 1 67 135 5 TYR HA H 5.408 . 1 68 135 5 TYR HB2 H 3.281 . 1 69 135 5 TYR HB3 H 3.115 . 1 70 135 5 TYR HD1 H 7.193 . 3 71 135 5 TYR HD2 H 7.193 . 3 72 135 5 TYR HE1 H 6.777 . 3 73 135 5 TYR HE2 H 6.777 . 3 74 135 5 TYR C C 176.395 . 1 75 135 5 TYR CA C 57.073 . 1 76 135 5 TYR CB C 41.634 . 1 77 135 5 TYR CD1 C 134.399 . 3 78 135 5 TYR CD2 C 134.399 . 3 79 135 5 TYR CE1 C 117.958 . 3 80 135 5 TYR CE2 C 117.958 . 3 81 135 5 TYR N N 117.667 . 1 82 136 6 ILE H H 9.744 . 1 83 136 6 ILE HB H 1.516 . 1 84 136 6 ILE HG12 H 1.776 . 1 85 136 6 ILE HG13 H 1.776 . 1 86 136 6 ILE HG2 H 0.484 . 1 87 136 6 ILE HD1 H -0.057 . 1 88 136 6 ILE C C 173.995 . 1 89 136 6 ILE CA C 61.924 . 1 90 136 6 ILE CB C 39.014 . 1 91 136 6 ILE CG1 C 26.890 . 1 92 136 6 ILE CG2 C 18.908 . 1 93 136 6 ILE CD1 C 12.820 . 1 94 136 6 ILE N N 121.812 . 1 95 137 7 LYS H H 9.597 . 1 96 137 7 LYS HA H 5.118 . 1 97 137 7 LYS HB2 H 2.118 . 2 98 137 7 LYS HB3 H 2.118 . 2 99 137 7 LYS HG2 H 1.430 . 2 100 137 7 LYS HG3 H 1.430 . 2 101 137 7 LYS HD2 H 1.829 . 1 102 137 7 LYS HD3 H 1.456 . 1 103 137 7 LYS HE2 H 2.670 . 2 104 137 7 LYS HE3 H 2.670 . 2 105 137 7 LYS C C 175.751 . 1 106 137 7 LYS CA C 54.899 . 1 107 137 7 LYS CB C 35.041 . 1 108 137 7 LYS CG C 23.891 . 1 109 137 7 LYS CD C 29.312 . 1 110 137 7 LYS CE C 41.348 . 1 111 137 7 LYS N N 127.858 . 1 112 138 8 SER H H 9.485 . 1 113 138 8 SER HA H 4.324 . 1 114 138 8 SER HB2 H 3.775 . 2 115 138 8 SER HB3 H 3.775 . 2 116 138 8 SER C C 177.332 . 1 117 138 8 SER CA C 58.338 . 1 118 138 8 SER CB C 64.147 . 1 119 138 8 SER N N 120.496 . 1 120 139 9 GLU H H 8.246 . 1 121 139 9 GLU HA H 4.159 . 1 122 139 9 GLU HB2 H 2.158 . 1 123 139 9 GLU HB3 H 1.873 . 1 124 139 9 GLU HG2 H 2.180 . 2 125 139 9 GLU HG3 H 2.180 . 2 126 139 9 GLU C C 176.768 . 1 127 139 9 GLU CA C 58.960 . 1 128 139 9 GLU CB C 30.263 . 1 129 139 9 GLU CG C 37.324 . 1 130 139 9 GLU N N 129.790 . 1 131 140 10 LEU H H 7.648 . 1 132 140 10 LEU HA H 4.115 . 1 133 140 10 LEU HB2 H 1.627 . 1 134 140 10 LEU HB3 H 1.280 . 1 135 140 10 LEU HG H 1.529 . 1 136 140 10 LEU HD1 H 0.980 . 2 137 140 10 LEU HD2 H 0.980 . 2 138 140 10 LEU C C 177.529 . 1 139 140 10 LEU CA C 57.336 . 1 140 140 10 LEU CB C 43.039 . 1 141 140 10 LEU CG C 26.115 . 1 142 140 10 LEU CD1 C 23.766 . 1 143 140 10 LEU CD2 C 23.796 . 1 144 140 10 LEU N N 118.013 . 1 145 141 11 ASN H H 7.003 . 1 146 141 11 ASN HA H 5.032 . 1 147 141 11 ASN HB2 H 3.330 . 1 148 141 11 ASN HB3 H 2.654 . 1 149 141 11 ASN HD21 H 7.820 . 1 150 141 11 ASN HD22 H 6.375 . 1 151 141 11 ASN C C 176.505 . 1 152 141 11 ASN CA C 51.541 . 1 153 141 11 ASN CB C 39.856 . 1 154 141 11 ASN N N 109.162 . 1 155 141 11 ASN ND2 N 107.453 . 1 156 142 12 GLY H H 8.148 . 1 157 142 12 GLY HA2 H 4.192 . 1 158 142 12 GLY HA3 H 3.885 . 1 159 142 12 GLY C C 173.761 . 1 160 142 12 GLY CA C 46.565 . 1 161 142 12 GLY N N 108.802 . 1 162 143 13 LYS H H 7.988 . 1 163 143 13 LYS HA H 4.572 . 1 164 143 13 LYS HB2 H 1.909 . 2 165 143 13 LYS HB3 H 1.909 . 2 166 143 13 LYS HG2 H 1.265 . 2 167 143 13 LYS HG3 H 1.265 . 2 168 143 13 LYS HD2 H 1.404 . 2 169 143 13 LYS HD3 H 1.404 . 2 170 143 13 LYS HE2 H 2.919 . 2 171 143 13 LYS HE3 H 2.919 . 2 172 143 13 LYS C C 174.880 . 1 173 143 13 LYS CA C 55.726 . 1 174 143 13 LYS CB C 34.119 . 1 175 143 13 LYS CG C 26.093 . 1 176 143 13 LYS CD C 29.276 . 1 177 143 13 LYS CE C 42.526 . 1 178 143 13 LYS N N 120.185 . 1 179 144 14 VAL H H 9.024 . 1 180 144 14 VAL HA H 5.875 . 1 181 144 14 VAL HB H 3.230 . 1 182 144 14 VAL HG1 H 1.265 . 1 183 144 14 VAL HG2 H 0.907 . 1 184 144 14 VAL C C 175.320 . 1 185 144 14 VAL CA C 58.367 . 1 186 144 14 VAL CB C 33.622 . 1 187 144 14 VAL CG1 C 19.018 . 1 188 144 14 VAL CG2 C 21.725 . 1 189 144 14 VAL N N 109.831 . 1 190 145 15 LEU H H 8.836 . 1 191 145 15 LEU N N 120.839 . 1 192 146 16 ASP H H 9.184 . 1 193 146 16 ASP HA H 5.316 . 1 194 146 16 ASP C C 174.390 . 1 195 146 16 ASP N N 125.337 . 1 196 147 17 ILE H H 8.537 . 1 197 147 17 ILE N N 123.273 . 1 198 150 20 GLN H H 8.439 . 1 199 150 20 GLN HE21 H 7.526 . 1 200 150 20 GLN HE22 H 6.922 . 1 201 150 20 GLN N N 113.488 . 1 202 150 20 GLN NE2 N 111.693 . 1 203 155 25 GLY H H 9.484 . 1 204 155 25 GLY HA2 H 4.219 . 1 205 155 25 GLY HA3 H 3.841 . 1 206 155 25 GLY CA C 46.283 . 1 207 155 25 GLY N N 113.206 . 1 208 156 26 SER C C 173.600 . 1 209 157 27 LYS H H 8.739 . 1 210 157 27 LYS HA H 4.565 . 1 211 157 27 LYS HB2 H 2.068 . 2 212 157 27 LYS HB3 H 2.068 . 2 213 157 27 LYS HG2 H 1.774 . 2 214 157 27 LYS HG3 H 1.774 . 2 215 157 27 LYS HD2 H 2.008 . 2 216 157 27 LYS HD3 H 2.008 . 2 217 157 27 LYS HE2 H 3.137 . 2 218 157 27 LYS HE3 H 3.137 . 2 219 157 27 LYS C C 176.454 . 1 220 157 27 LYS CA C 57.114 . 1 221 157 27 LYS CB C 32.909 . 1 222 157 27 LYS CG C 25.657 . 1 223 157 27 LYS CD C 28.998 . 1 224 157 27 LYS CE C 42.484 . 1 225 157 27 LYS N N 124.070 . 1 226 158 28 ILE H H 7.601 . 1 227 158 28 ILE HA H 4.886 . 1 228 158 28 ILE HB H 1.612 . 1 229 158 28 ILE HG2 H 1.060 . 1 230 158 28 ILE HD1 H 1.022 . 1 231 158 28 ILE N N 122.883 . 1 232 159 29 ILE C C 176.073 . 1 233 159 29 ILE CA C 59.699 . 1 234 159 29 ILE CB C 42.022 . 1 235 160 30 THR H H 8.179 . 1 236 160 30 THR HA H 5.600 . 1 237 160 30 THR HB H 4.239 . 1 238 160 30 THR HG2 H 1.245 . 1 239 160 30 THR C C 174.800 . 1 240 160 30 THR CA C 59.447 . 1 241 160 30 THR CB C 70.151 . 1 242 160 30 THR N N 106.431 . 1 243 161 31 TRP H H 9.519 . 1 244 161 31 TRP HD1 H 7.575 . 1 245 161 31 TRP HE1 H 10.609 . 1 246 161 31 TRP HZ2 H 7.683 . 1 247 161 31 TRP HH2 H 7.423 . 1 248 161 31 TRP C C 173.293 . 1 249 161 31 TRP CA C 55.503 . 1 250 161 31 TRP CD1 C 128.787 . 1 251 161 31 TRP CZ2 C 114.812 . 1 252 161 31 TRP CH2 C 125.026 . 1 253 161 31 TRP N N 124.737 . 1 254 161 31 TRP NE1 N 129.980 . 1 255 162 32 ASP H H 6.611 . 1 256 162 32 ASP HA H 4.507 . 1 257 162 32 ASP HB2 H 2.603 . 1 258 162 32 ASP HB3 H 2.177 . 1 259 162 32 ASP C C 176.082 . 1 260 162 32 ASP CA C 55.836 . 1 261 162 32 ASP CB C 41.378 . 1 262 162 32 ASP N N 124.369 . 1 263 163 33 GLN H H 8.863 . 1 264 163 33 GLN HA H 4.373 . 1 265 163 33 GLN HB2 H 2.041 . 2 266 163 33 GLN HB3 H 2.041 . 2 267 163 33 GLN HG2 H 1.803 . 2 268 163 33 GLN HG3 H 1.803 . 2 269 163 33 GLN HE21 H 7.282 . 1 270 163 33 GLN HE22 H 3.644 . 1 271 163 33 GLN C C 175.916 . 1 272 163 33 GLN CA C 57.416 . 1 273 163 33 GLN CB C 29.671 . 1 274 163 33 GLN CG C 33.241 . 1 275 163 33 GLN N N 123.182 . 1 276 163 33 GLN NE2 N 107.818 . 1 277 164 34 LYS H H 10.576 . 1 278 164 34 LYS HA H 4.760 . 1 279 164 34 LYS C C 175.334 . 1 280 164 34 LYS CA C 55.250 . 1 281 164 34 LYS CB C 35.056 . 1 282 164 34 LYS CE C 41.948 . 1 283 164 34 LYS N N 131.781 . 1 284 165 35 LYS H H 8.852 . 1 285 165 35 LYS HA H 4.620 . 1 286 165 35 LYS HB2 H 1.984 . 1 287 165 35 LYS HB3 H 1.860 . 1 288 165 35 LYS HG2 H 1.527 . 2 289 165 35 LYS HG3 H 1.527 . 2 290 165 35 LYS HD2 H 1.816 . 2 291 165 35 LYS HD3 H 1.816 . 2 292 165 35 LYS HE2 H 2.961 . 2 293 165 35 LYS HE3 H 2.961 . 2 294 165 35 LYS C C 175.952 . 1 295 165 35 LYS CA C 55.470 . 1 296 165 35 LYS CB C 35.949 . 1 297 165 35 LYS CG C 25.032 . 1 298 165 35 LYS CD C 28.998 . 1 299 165 35 LYS CE C 42.241 . 1 300 165 35 LYS N N 120.789 . 1 301 166 36 GLY H H 9.074 . 1 302 166 36 GLY N N 110.761 . 1 303 167 37 PRO HA H 4.282 . 1 304 167 37 PRO HB2 H 2.493 . 1 305 167 37 PRO HB3 H 2.061 . 1 306 167 37 PRO HG2 H 2.204 . 2 307 167 37 PRO HG3 H 2.204 . 2 308 167 37 PRO HD2 H 3.967 . 1 309 167 37 PRO HD3 H 3.780 . 1 310 167 37 PRO C C 179.150 . 1 311 167 37 PRO CA C 65.635 . 1 312 167 37 PRO CB C 32.376 . 1 313 167 37 PRO CG C 27.661 . 1 314 167 37 PRO CD C 49.969 . 1 315 168 38 THR H H 8.418 . 1 316 168 38 THR HA H 4.402 . 1 317 168 38 THR HB H 4.633 . 1 318 168 38 THR HG2 H 1.366 . 1 319 168 38 THR C C 174.774 . 1 320 168 38 THR CA C 62.918 . 1 321 168 38 THR CB C 68.947 . 1 322 168 38 THR CG2 C 21.798 . 1 323 168 38 THR N N 106.775 . 1 324 169 39 ALA H H 8.108 . 1 325 169 39 ALA HA H 4.160 . 1 326 169 39 ALA HB H 1.537 . 1 327 169 39 ALA C C 176.582 . 1 328 169 39 ALA CA C 52.440 . 1 329 169 39 ALA N N 122.000 . 1 330 170 40 VAL H H 6.786 . 1 331 170 40 VAL HA H 3.519 . 1 332 170 40 VAL HB H 2.130 . 1 333 170 40 VAL HG1 H 0.839 . 2 334 170 40 VAL HG2 H 0.839 . 2 335 170 40 VAL N N 116.584 . 1 336 172 42 GLN H H 8.489 . 1 337 172 42 GLN C C 174.313 . 1 338 172 42 GLN CA C 53.688 . 1 339 172 42 GLN CB C 30.538 . 1 340 172 42 GLN N N 116.940 . 1 341 173 43 LEU H H 6.687 . 1 342 173 43 LEU HA H 4.929 . 1 343 173 43 LEU HB2 H 1.398 . 1 344 173 43 LEU HB3 H 0.804 . 1 345 173 43 LEU HG H 1.283 . 1 346 173 43 LEU HD1 H 0.476 . 1 347 173 43 LEU HD2 H -0.038 . 1 348 173 43 LEU C C 176.348 . 1 349 173 43 LEU CA C 52.976 . 1 350 173 43 LEU CB C 45.997 . 1 351 173 43 LEU N N 118.379 . 1 352 174 44 TRP H H 9.043 . 1 353 174 44 TRP HA H 5.386 . 1 354 174 44 TRP HB2 H 3.111 . 1 355 174 44 TRP HB3 H 2.105 . 1 356 174 44 TRP HD1 H 7.612 . 1 357 174 44 TRP HE1 H 9.145 . 1 358 174 44 TRP HZ2 H 6.924 . 1 359 174 44 TRP HZ3 H 7.242 . 1 360 174 44 TRP HH2 H 6.741 . 1 361 174 44 TRP C C 172.770 . 1 362 174 44 TRP CD1 C 129.870 . 1 363 174 44 TRP CZ2 C 111.600 . 1 364 174 44 TRP CZ3 C 121.280 . 1 365 174 44 TRP CH2 C 122.934 . 1 366 174 44 TRP N N 124.994 . 1 367 174 44 TRP NE1 N 126.397 . 1 368 175 45 TYR H H 9.450 . 1 369 175 45 TYR HA H 5.211 . 1 370 175 45 TYR HB2 H 2.977 . 2 371 175 45 TYR HB3 H 2.977 . 2 372 175 45 TYR HD1 H 6.893 . 3 373 175 45 TYR HD2 H 6.893 . 3 374 175 45 TYR HE1 H 6.777 . 3 375 175 45 TYR HE2 H 6.777 . 3 376 175 45 TYR C C 173.399 . 1 377 175 45 TYR CA C 56.294 . 1 378 175 45 TYR CB C 41.599 . 1 379 175 45 TYR CD1 C 133.638 . 3 380 175 45 TYR CD2 C 133.638 . 3 381 175 45 TYR CE1 C 117.958 . 3 382 175 45 TYR CE2 C 117.958 . 3 383 175 45 TYR N N 116.002 . 1 384 176 46 THR H H 8.898 . 1 385 176 46 THR HA H 5.238 . 1 386 176 46 THR HB H 4.089 . 1 387 176 46 THR HG2 H 1.352 . 1 388 176 46 THR C C 175.440 . 1 389 176 46 THR CA C 58.966 . 1 390 176 46 THR CB C 71.077 . 1 391 176 46 THR CG2 C 22.283 . 1 392 176 46 THR N N 108.097 . 1 393 177 47 ASP H H 8.986 . 1 394 177 47 ASP HA H 4.782 . 1 395 177 47 ASP HB2 H 2.524 . 2 396 177 47 ASP HB3 H 2.524 . 2 397 177 47 ASP C C 178.564 . 1 398 177 47 ASP CA C 52.806 . 1 399 177 47 ASP CB C 40.948 . 1 400 177 47 ASP N N 124.966 . 1 401 178 48 GLN H H 8.680 . 1 402 178 48 GLN HA H 4.221 . 1 403 178 48 GLN HB2 H 2.254 . 2 404 178 48 GLN HB3 H 2.254 . 2 405 178 48 GLN HG2 H 2.559 . 2 406 178 48 GLN HG3 H 2.559 . 2 407 178 48 GLN HE21 H 7.794 . 1 408 178 48 GLN HE22 H 7.079 . 1 409 178 48 GLN C C 177.394 . 1 410 178 48 GLN CA C 59.339 . 1 411 178 48 GLN CB C 28.508 . 1 412 178 48 GLN CG C 34.282 . 1 413 178 48 GLN N N 116.800 . 1 414 178 48 GLN NE2 N 112.947 . 1 415 179 49 GLN H H 8.601 . 1 416 179 49 GLN HA H 4.554 . 1 417 179 49 GLN HB2 H 2.327 . 2 418 179 49 GLN HB3 H 2.327 . 2 419 179 49 GLN HG2 H 2.504 . 2 420 179 49 GLN HG3 H 2.504 . 2 421 179 49 GLN HE21 H 7.794 . 1 422 179 49 GLN HE22 H 6.954 . 1 423 179 49 GLN C C 175.444 . 1 424 179 49 GLN CA C 56.088 . 1 425 179 49 GLN CB C 29.678 . 1 426 179 49 GLN CG C 35.318 . 1 427 179 49 GLN N N 118.355 . 1 428 179 49 GLN NE2 N 111.775 . 1 429 180 50 GLY H H 8.328 . 1 430 180 50 GLY HA2 H 4.390 . 1 431 180 50 GLY HA3 H 3.672 . 1 432 180 50 GLY C C 173.011 . 1 433 180 50 GLY CA C 45.224 . 1 434 180 50 GLY N N 108.281 . 1 435 181 51 VAL H H 8.218 . 1 436 181 51 VAL HA H 4.210 . 1 437 181 51 VAL HB H 2.535 . 1 438 181 51 VAL HG1 H 1.170 . 1 439 181 51 VAL HG2 H 0.877 . 1 440 181 51 VAL C C 176.538 . 1 441 181 51 VAL CA C 63.282 . 1 442 181 51 VAL CB C 31.116 . 1 443 181 51 VAL CG1 C 23.183 . 2 444 181 51 VAL CG2 C 23.183 . 2 445 181 51 VAL N N 123.223 . 1 446 182 52 ILE H H 8.943 . 1 447 182 52 ILE HA H 4.329 . 1 448 182 52 ILE HB H 1.536 . 1 449 182 52 ILE HG12 H 1.403 . 1 450 182 52 ILE HG13 H 1.137 . 1 451 182 52 ILE HG2 H 0.857 . 1 452 182 52 ILE HD1 H 0.584 . 1 453 182 52 ILE C C 175.023 . 1 454 182 52 ILE CA C 63.245 . 1 455 182 52 ILE CB C 39.777 . 1 456 182 52 ILE CG2 C 19.255 . 1 457 182 52 ILE N N 127.884 . 1 458 183 53 ARG H H 9.041 . 1 459 183 53 ARG HA H 5.358 . 1 460 183 53 ARG HB2 H 1.263 . 2 461 183 53 ARG HB3 H 1.263 . 2 462 183 53 ARG HG2 H 1.530 . 2 463 183 53 ARG HG3 H 1.530 . 2 464 183 53 ARG HD2 H 3.224 . 1 465 183 53 ARG HD3 H 2.995 . 1 466 183 53 ARG HE H 7.011 . 1 467 183 53 ARG CA C 51.650 . 1 468 183 53 ARG CB C 34.612 . 1 469 183 53 ARG N N 123.054 . 1 470 183 53 ARG NE N 84.174 . 1 471 185 55 LYS H H 8.500 . 1 472 185 55 LYS N N 128.411 . 1 473 186 56 LEU H H 8.130 . 1 474 186 56 LEU N N 118.089 . 1 475 188 58 ASP H H 8.444 . 1 476 188 58 ASP C C 176.611 . 1 477 188 58 ASP N N 112.720 . 1 478 189 59 PHE H H 8.186 . 1 479 189 59 PHE HA H 4.465 . 1 480 189 59 PHE C C 175.327 . 1 481 189 59 PHE N N 120.754 . 1 482 190 60 ALA H H 8.848 . 1 483 190 60 ALA N N 120.789 . 1 484 191 61 ILE H H 8.110 . 1 485 191 61 ILE HA H 3.841 . 1 486 191 61 ILE HB H 1.727 . 1 487 191 61 ILE HG12 H 1.549 . 1 488 191 61 ILE HG13 H 0.458 . 1 489 191 61 ILE HG2 H 0.062 . 1 490 191 61 ILE HD1 H -0.006 . 1 491 191 61 ILE C C 173.428 . 1 492 191 61 ILE CA C 63.021 . 1 493 191 61 ILE CB C 38.427 . 1 494 191 61 ILE N N 120.094 . 1 495 192 62 ASP H H 9.213 . 1 496 192 62 ASP HA H 5.513 . 1 497 192 62 ASP HB2 H 2.999 . 1 498 192 62 ASP HB3 H 2.163 . 1 499 192 62 ASP C C 175.682 . 1 500 192 62 ASP CA C 53.206 . 1 501 192 62 ASP CB C 45.946 . 1 502 192 62 ASP N N 122.624 . 1 503 193 63 ALA H H 8.134 . 1 504 193 63 ALA HA H 5.099 . 1 505 193 63 ALA HB H 1.549 . 1 506 193 63 ALA C C 176.794 . 1 507 193 63 ALA CA C 50.051 . 1 508 193 63 ALA CB C 21.739 . 1 509 193 63 ALA N N 128.882 . 1 510 194 64 SER H H 9.188 . 1 511 194 64 SER HA H 4.192 . 1 512 194 64 SER HB2 H 3.701 . 2 513 194 64 SER HB3 H 3.701 . 2 514 194 64 SER C C 174.474 . 1 515 194 64 SER CA C 62.133 . 1 516 194 64 SER CB C 62.447 . 1 517 194 64 SER N N 117.914 . 1 518 195 65 HIS H H 9.069 . 1 519 195 65 HIS HA H 5.089 . 1 520 195 65 HIS HB2 H 3.629 . 1 521 195 65 HIS HB3 H 3.292 . 1 522 195 65 HIS HD2 H 7.381 . 1 523 195 65 HIS HE1 H 8.528 . 1 524 195 65 HIS C C 173.479 . 1 525 195 65 HIS CA C 53.699 . 1 526 195 65 HIS CB C 29.858 . 1 527 195 65 HIS CD2 C 120.036 . 1 528 195 65 HIS CE1 C 136.335 . 1 529 195 65 HIS N N 120.576 . 1 530 196 66 GLU H H 8.635 . 1 531 196 66 GLU HA H 4.152 . 1 532 196 66 GLU HB2 H 2.231 . 2 533 196 66 GLU HB3 H 2.231 . 2 534 196 66 GLU HG2 H 2.465 . 2 535 196 66 GLU HG3 H 2.465 . 2 536 196 66 GLU C C 176.801 . 1 537 196 66 GLU CA C 60.071 . 1 538 196 66 GLU CB C 30.012 . 1 539 196 66 GLU CG C 36.907 . 1 540 196 66 GLU N N 118.388 . 1 541 197 67 GLN H H 7.852 . 1 542 197 67 GLN HA H 5.150 . 1 543 197 67 GLN HB2 H 2.279 . 1 544 197 67 GLN HB3 H 2.146 . 1 545 197 67 GLN HG2 H 2.392 . 2 546 197 67 GLN HG3 H 2.392 . 2 547 197 67 GLN HE21 H 7.770 . 1 548 197 67 GLN HE22 H 6.811 . 1 549 197 67 GLN C C 177.087 . 1 550 197 67 GLN CA C 54.361 . 1 551 197 67 GLN CB C 30.103 . 1 552 197 67 GLN CG C 33.907 . 1 553 197 67 GLN N N 114.686 . 1 554 197 67 GLN NE2 N 111.730 . 1 555 198 68 ILE H H 8.534 . 1 556 198 68 ILE HA H 4.748 . 1 557 198 68 ILE HB H 1.819 . 1 558 198 68 ILE HG12 H 1.542 . 1 559 198 68 ILE HG13 H 1.542 . 1 560 198 68 ILE HG2 H 0.738 . 1 561 198 68 ILE HD1 H 0.605 . 1 562 198 68 ILE C C 175.345 . 1 563 198 68 ILE CA C 62.336 . 1 564 198 68 ILE CB C 38.516 . 1 565 198 68 ILE N N 121.191 . 1 566 199 69 GLU H H 8.763 . 1 567 199 69 GLU HA H 5.563 . 1 568 199 69 GLU N N 120.575 . 1 569 200 70 THR HA H 5.437 . 1 570 201 71 GLN H H 8.749 . 1 571 201 71 GLN HA H 4.636 . 1 572 201 71 GLN HE21 H 7.952 . 1 573 201 71 GLN HE22 H 6.825 . 1 574 201 71 GLN N N 121.400 . 1 575 201 71 GLN NE2 N 108.555 . 1 576 202 72 PRO HA H 4.307 . 1 577 202 72 PRO HB2 H 2.237 . 2 578 202 72 PRO HB3 H 2.237 . 2 579 202 72 PRO HG2 H 1.856 . 2 580 202 72 PRO HG3 H 1.856 . 2 581 202 72 PRO HD2 H 3.971 . 2 582 202 72 PRO HD3 H 3.971 . 2 583 202 72 PRO C C 176.121 . 1 584 202 72 PRO CA C 62.426 . 1 585 202 72 PRO CB C 31.541 . 1 586 202 72 PRO CG C 27.696 . 1 587 202 72 PRO CD C 50.072 . 1 588 203 73 PHE H H 9.827 . 1 589 203 73 PHE HA H 3.987 . 1 590 203 73 PHE HB2 H 3.235 . 1 591 203 73 PHE HB3 H 3.089 . 1 592 203 73 PHE HD1 H 7.350 . 3 593 203 73 PHE HD2 H 7.350 . 3 594 203 73 PHE HE1 H 7.438 . 3 595 203 73 PHE HE2 H 7.438 . 3 596 203 73 PHE HZ H 7.452 . 1 597 203 73 PHE CA C 61.605 . 1 598 203 73 PHE CB C 39.011 . 1 599 203 73 PHE CD1 C 130.777 . 3 600 203 73 PHE CD2 C 130.777 . 3 601 203 73 PHE CE1 C 130.060 . 3 602 203 73 PHE CE2 C 130.060 . 3 603 203 73 PHE CZ C 129.014 . 1 604 203 73 PHE N N 122.693 . 1 605 205 75 PRO C C 176.274 . 1 606 205 75 PRO CA C 64.077 . 1 607 205 75 PRO CB C 32.557 . 1 608 205 75 PRO CG C 26.510 . 1 609 205 75 PRO CD C 51.654 . 1 610 206 76 ASN H H 8.386 . 1 611 206 76 ASN HA H 4.825 . 1 612 206 76 ASN HB2 H 3.000 . 1 613 206 76 ASN HB3 H 2.748 . 1 614 206 76 ASN HD21 H 7.986 . 1 615 206 76 ASN HD22 H 7.106 . 1 616 206 76 ASN C C 173.743 . 1 617 206 76 ASN CA C 53.057 . 1 618 206 76 ASN CB C 39.338 . 1 619 206 76 ASN N N 115.560 . 1 620 206 76 ASN ND2 N 115.233 . 1 621 207 77 ASN H H 7.197 . 1 622 207 77 ASN HA H 5.306 . 1 623 207 77 ASN HB2 H 2.987 . 1 624 207 77 ASN HB3 H 2.516 . 1 625 207 77 ASN HD21 H 8.127 . 1 626 207 77 ASN HD22 H 6.937 . 1 627 207 77 ASN N N 117.006 . 1 628 207 77 ASN ND2 N 111.876 . 1 629 208 78 PRO HA H 4.424 . 1 630 208 78 PRO HB2 H 2.515 . 1 631 208 78 PRO HB3 H 1.948 . 1 632 208 78 PRO HG2 H 2.145 . 2 633 208 78 PRO HG3 H 2.145 . 2 634 208 78 PRO HD2 H 4.080 . 1 635 208 78 PRO HD3 H 3.967 . 1 636 208 78 PRO C C 179.062 . 1 637 208 78 PRO CA C 64.622 . 1 638 208 78 PRO CB C 32.741 . 1 639 208 78 PRO CG C 27.260 . 1 640 208 78 PRO CD C 51.545 . 1 641 209 79 LYS H H 7.988 . 1 642 209 79 LYS HA H 4.271 . 1 643 209 79 LYS HB2 H 2.076 . 1 644 209 79 LYS HB3 H 1.907 . 1 645 209 79 LYS HG2 H 1.465 . 2 646 209 79 LYS HG3 H 1.465 . 2 647 209 79 LYS HD2 H 1.655 . 2 648 209 79 LYS HD3 H 1.655 . 2 649 209 79 LYS HE2 H 3.133 . 2 650 209 79 LYS HE3 H 3.133 . 2 651 209 79 LYS C C 177.405 . 1 652 209 79 LYS CA C 56.318 . 1 653 209 79 LYS CB C 31.637 . 1 654 209 79 LYS CG C 25.842 . 1 655 209 79 LYS CD C 28.473 . 1 656 209 79 LYS CE C 42.436 . 1 657 209 79 LYS N N 113.005 . 1 658 210 80 ARG H H 7.780 . 1 659 210 80 ARG HA H 6.618 . 1 660 210 80 ARG HB2 H 2.465 . 1 661 210 80 ARG HB3 H 1.749 . 1 662 210 80 ARG HG2 H 1.906 . 2 663 210 80 ARG HG3 H 1.906 . 2 664 210 80 ARG HD2 H 3.413 . 1 665 210 80 ARG HD3 H 3.045 . 1 666 210 80 ARG HE H 8.372 . 1 667 210 80 ARG C C 173.542 . 1 668 210 80 ARG CA C 56.018 . 1 669 210 80 ARG CB C 31.350 . 1 670 210 80 ARG CG C 28.623 . 1 671 210 80 ARG CD C 45.313 . 1 672 210 80 ARG N N 118.475 . 1 673 210 80 ARG NE N 86.277 . 1 674 211 81 ALA H H 6.761 . 1 675 211 81 ALA HA H 5.104 . 1 676 211 81 ALA HB H 1.554 . 1 677 211 81 ALA C C 172.451 . 1 678 211 81 ALA CA C 50.780 . 1 679 211 81 ALA CB C 20.149 . 1 680 211 81 ALA N N 122.892 . 1 681 212 82 TRP H H 7.217 . 1 682 212 82 TRP HA H 4.876 . 1 683 212 82 TRP HB2 H 2.939 . 2 684 212 82 TRP HB3 H 2.939 . 2 685 212 82 TRP HD1 H 7.381 . 1 686 212 82 TRP HE1 H 9.145 . 1 687 212 82 TRP HZ2 H 7.013 . 1 688 212 82 TRP HZ3 H 7.176 . 1 689 212 82 TRP HH2 H 6.818 . 1 690 212 82 TRP C C 174.361 . 1 691 212 82 TRP CA C 55.780 . 1 692 212 82 TRP CB C 31.116 . 1 693 212 82 TRP CD1 C 128.816 . 1 694 212 82 TRP CZ2 C 111.856 . 1 695 212 82 TRP CZ3 C 119.517 . 1 696 212 82 TRP CH2 C 123.460 . 1 697 212 82 TRP N N 127.102 . 1 698 212 82 TRP NE1 N 126.397 . 1 699 213 83 ILE H H 9.575 . 1 700 213 83 ILE HA H 5.147 . 1 701 213 83 ILE HB H 2.055 . 1 702 213 83 ILE HG12 H 1.258 . 1 703 213 83 ILE HG13 H 1.258 . 1 704 213 83 ILE HG2 H 0.863 . 1 705 213 83 ILE HD1 H 0.834 . 1 706 213 83 ILE C C 174.990 . 1 707 213 83 ILE CA C 58.458 . 1 708 213 83 ILE CB C 42.095 . 1 709 213 83 ILE CG1 C 26.005 . 1 710 213 83 ILE CG2 C 18.778 . 1 711 213 83 ILE CD1 C 14.197 . 1 712 213 83 ILE N N 115.198 . 1 713 214 84 VAL H H 8.980 . 1 714 214 84 VAL HA H 4.303 . 1 715 214 84 VAL HB H 2.049 . 1 716 214 84 VAL HG1 H 0.883 . 2 717 214 84 VAL HG2 H 0.883 . 2 718 214 84 VAL C C 176.563 . 1 719 214 84 VAL CA C 62.672 . 1 720 214 84 VAL CB C 32.073 . 1 721 214 84 VAL CG1 C 21.274 . 2 722 214 84 VAL CG2 C 21.274 . 2 723 214 84 VAL N N 121.100 . 1 724 215 85 SER H H 8.865 . 1 725 215 85 SER HA H 4.832 . 1 726 215 85 SER HB2 H 3.833 . 1 727 215 85 SER HB3 H 3.373 . 1 728 215 85 SER C C 175.276 . 1 729 215 85 SER CA C 55.706 . 1 730 215 85 SER CB C 62.855 . 1 731 215 85 SER N N 123.191 . 1 732 216 86 GLY H H 9.407 . 1 733 216 86 GLY HA2 H 4.174 . 1 734 216 86 GLY HA3 H 3.768 . 1 735 216 86 GLY C C 174.112 . 1 736 216 86 GLY CA C 47.928 . 1 737 216 86 GLY N N 120.046 . 1 738 217 87 ASN H H 8.873 . 1 739 217 87 ASN HA H 5.271 . 1 740 217 87 ASN HB2 H 3.242 . 1 741 217 87 ASN HB3 H 3.113 . 1 742 217 87 ASN HD21 H 8.084 . 1 743 217 87 ASN HD22 H 7.089 . 1 744 217 87 ASN C C 173.805 . 1 745 217 87 ASN CA C 53.113 . 1 746 217 87 ASN CB C 38.927 . 1 747 217 87 ASN N N 126.608 . 1 748 217 87 ASN ND2 N 111.212 . 1 749 218 88 THR H H 8.053 . 1 750 218 88 THR HA H 5.152 . 1 751 218 88 THR HB H 4.514 . 1 752 218 88 THR HG2 H 1.466 . 1 753 218 88 THR C C 172.415 . 1 754 218 88 THR CA C 59.994 . 1 755 218 88 THR CB C 73.096 . 1 756 218 88 THR N N 109.804 . 1 757 219 89 ILE H H 9.236 . 1 758 219 89 ILE HA H 5.101 . 1 759 219 89 ILE HB H 1.653 . 1 760 219 89 ILE HG12 H 1.169 . 1 761 219 89 ILE HG13 H 1.169 . 1 762 219 89 ILE HG2 H 0.763 . 1 763 219 89 ILE HD1 H 0.559 . 1 764 219 89 ILE C C 174.632 . 1 765 219 89 ILE CA C 58.670 . 1 766 219 89 ILE CB C 35.312 . 1 767 219 89 ILE CG1 C 26.612 . 1 768 219 89 ILE CG2 C 18.758 . 1 769 219 89 ILE CD1 C 10.126 . 1 770 219 89 ILE N N 123.502 . 1 771 220 90 ALA H H 8.971 . 1 772 220 90 ALA HA H 5.619 . 1 773 220 90 ALA HB H 1.428 . 1 774 220 90 ALA C C 175.122 . 1 775 220 90 ALA CA C 50.308 . 1 776 220 90 ALA CB C 24.411 . 1 777 220 90 ALA N N 128.276 . 1 778 221 91 GLN H H 8.162 . 1 779 221 91 GLN HA H 3.014 . 1 780 221 91 GLN HG2 H 1.876 . 1 781 221 91 GLN HG3 H 1.521 . 1 782 221 91 GLN HE21 H 7.134 . 1 783 221 91 GLN HE22 H 6.532 . 1 784 221 91 GLN C C 178.012 . 1 785 221 91 GLN CA C 55.743 . 1 786 221 91 GLN CB C 27.964 . 1 787 221 91 GLN CG C 33.859 . 1 788 221 91 GLN N N 125.394 . 1 789 221 91 GLN NE2 N 110.166 . 1 790 222 92 LEU H H 8.444 . 1 791 222 92 LEU HA H 3.726 . 1 792 222 92 LEU HB2 H 1.940 . 1 793 222 92 LEU HB3 H 1.231 . 1 794 222 92 LEU HG H 1.585 . 1 795 222 92 LEU HD1 H 0.952 . 2 796 222 92 LEU HD2 H 0.952 . 2 797 222 92 LEU C C 178.861 . 1 798 222 92 LEU CA C 59.660 . 1 799 222 92 LEU CB C 42.652 . 1 800 222 92 LEU CG C 27.382 . 1 801 222 92 LEU CD1 C 25.610 . 1 802 222 92 LEU CD2 C 24.410 . 1 803 222 92 LEU N N 130.200 . 1 804 223 93 SER H H 8.338 . 1 805 223 93 SER HA H 4.402 . 1 806 223 93 SER HB2 H 4.212 . 1 807 223 93 SER HB3 H 3.821 . 1 808 223 93 SER C C 174.259 . 1 809 223 93 SER CA C 58.651 . 1 810 223 93 SER CB C 64.022 . 1 811 223 93 SER N N 108.204 . 1 812 224 94 ASP H H 7.347 . 1 813 224 94 ASP HA H 4.649 . 1 814 224 94 ASP HB2 H 2.613 . 2 815 224 94 ASP HB3 H 2.613 . 2 816 224 94 ASP C C 174.573 . 1 817 224 94 ASP CA C 54.110 . 1 818 224 94 ASP CB C 40.391 . 1 819 224 94 ASP N N 120.703 . 1 820 225 95 ARG H H 8.676 . 1 821 225 95 ARG HA H 4.216 . 1 822 225 95 ARG HB2 H 1.944 . 1 823 225 95 ARG HB3 H 1.830 . 1 824 225 95 ARG HG2 H 1.655 . 2 825 225 95 ARG HG3 H 1.655 . 2 826 225 95 ARG HD2 H 3.319 . 1 827 225 95 ARG HD3 H 3.137 . 1 828 225 95 ARG HE H 7.409 . 1 829 225 95 ARG C C 175.451 . 1 830 225 95 ARG CA C 57.317 . 1 831 225 95 ARG CB C 28.982 . 1 832 225 95 ARG CG C 27.273 . 1 833 225 95 ARG CD C 42.504 . 1 834 225 95 ARG N N 121.513 . 1 835 225 95 ARG NE N 84.819 . 1 836 226 96 ASP H H 7.674 . 1 837 226 96 ASP HA H 4.816 . 1 838 226 96 ASP HB2 H 2.920 . 1 839 226 96 ASP HB3 H 2.709 . 1 840 226 96 ASP C C 174.456 . 1 841 226 96 ASP CA C 54.830 . 1 842 226 96 ASP CB C 42.035 . 1 843 226 96 ASP N N 115.043 . 1 844 227 97 ASN H H 8.314 . 1 845 227 97 ASN HA H 4.956 . 1 846 227 97 ASN HB2 H 3.275 . 1 847 227 97 ASN HB3 H 2.514 . 1 848 227 97 ASN HD21 H 7.656 . 1 849 227 97 ASN HD22 H 6.844 . 1 850 227 97 ASN C C 173.220 . 1 851 227 97 ASN CA C 53.215 . 1 852 227 97 ASN CB C 39.770 . 1 853 227 97 ASN N N 122.993 . 1 854 227 97 ASN ND2 N 110.797 . 1 855 228 98 VAL H H 8.408 . 1 856 228 98 VAL HA H 6.027 . 1 857 228 98 VAL HB H 2.958 . 1 858 228 98 VAL HG1 H 1.031 . 1 859 228 98 VAL HG2 H 0.826 . 1 860 228 98 VAL C C 176.007 . 1 861 228 98 VAL CA C 58.272 . 1 862 228 98 VAL CB C 34.996 . 1 863 228 98 VAL CG1 C 21.996 . 1 864 228 98 VAL CG2 C 20.005 . 1 865 228 98 VAL N N 115.614 . 1 866 229 99 LEU H H 8.620 . 1 867 229 99 LEU HA H 4.847 . 1 868 229 99 LEU HB2 H 1.543 . 1 869 229 99 LEU HB3 H 0.998 . 1 870 229 99 LEU HG H 1.331 . 1 871 229 99 LEU HD1 H 0.098 . 1 872 229 99 LEU HD2 H -0.268 . 1 873 229 99 LEU C C 178.232 . 1 874 229 99 LEU CA C 54.317 . 1 875 229 99 LEU CB C 42.650 . 1 876 229 99 LEU CG C 25.555 . 1 877 229 99 LEU CD1 C 21.478 . 2 878 229 99 LEU CD2 C 21.478 . 2 879 229 99 LEU N N 117.876 . 1 880 230 100 GLY H H 8.995 . 1 881 230 100 GLY HA2 H 4.982 . 1 882 230 100 GLY HA3 H 3.716 . 1 883 230 100 GLY C C 171.785 . 1 884 230 100 GLY CA C 46.660 . 1 885 230 100 GLY N N 104.289 . 1 886 231 101 VAL H H 8.372 . 1 887 231 101 VAL HA H 4.695 . 1 888 231 101 VAL HB H 1.987 . 1 889 231 101 VAL HG1 H 1.085 . 1 890 231 101 VAL C C 175.488 . 1 891 231 101 VAL CA C 62.095 . 1 892 231 101 VAL CB C 34.020 . 1 893 231 101 VAL CG1 C 22.099 . 1 894 231 101 VAL N N 120.105 . 1 895 232 102 ILE H H 8.932 . 1 896 232 102 ILE HA H 4.320 . 1 897 232 102 ILE HB H 1.554 . 1 898 232 102 ILE HG12 H 1.138 . 1 899 232 102 ILE HG13 H 1.138 . 1 900 232 102 ILE HG2 H 0.876 . 1 901 232 102 ILE HD1 H 0.634 . 1 902 232 102 ILE C C 175.056 . 1 903 232 102 ILE CA C 60.019 . 1 904 232 102 ILE CB C 39.312 . 1 905 232 102 ILE CG1 C 27.396 . 1 906 232 102 ILE CG2 C 17.551 . 1 907 232 102 ILE CD1 C 12.465 . 1 908 232 102 ILE N N 127.502 . 1 909 233 103 LYS H H 8.494 . 1 910 233 103 LYS HA H 4.419 . 1 911 233 103 LYS HB2 H 1.865 . 2 912 233 103 LYS HB3 H 1.865 . 2 913 233 103 LYS HG2 H 1.524 . 2 914 233 103 LYS HG3 H 1.524 . 2 915 233 103 LYS HD2 H 1.773 . 2 916 233 103 LYS HD3 H 1.773 . 2 917 233 103 LYS C C 176.315 . 1 918 233 103 LYS CA C 56.873 . 1 919 233 103 LYS CB C 33.464 . 1 920 233 103 LYS CG C 24.873 . 1 921 233 103 LYS CD C 28.719 . 1 922 233 103 LYS CE C 42.109 . 1 923 233 103 LYS N N 126.101 . 1 924 234 104 SER H H 8.650 . 1 925 234 104 SER HA H 4.624 . 1 926 234 104 SER HB2 H 3.972 . 1 927 234 104 SER HB3 H 3.880 . 1 928 234 104 SER C C 174.610 . 1 929 234 104 SER CA C 57.810 . 1 930 234 104 SER CB C 64.746 . 1 931 234 104 SER N N 118.396 . 1 932 235 105 ASP H H 8.710 . 1 933 235 105 ASP HA H 4.719 . 1 934 235 105 ASP HB2 H 2.816 . 2 935 235 105 ASP HB3 H 2.816 . 2 936 235 105 ASP C C 176.571 . 1 937 235 105 ASP CA C 55.132 . 1 938 235 105 ASP CB C 41.391 . 1 939 235 105 ASP N N 123.394 . 1 940 236 106 LYS H H 8.581 . 1 941 236 106 LYS HA H 4.402 . 1 942 236 106 LYS HB2 H 2.045 . 2 943 236 106 LYS HB3 H 2.045 . 2 944 236 106 LYS HG2 H 1.534 . 2 945 236 106 LYS HG3 H 1.534 . 2 946 236 106 LYS HE2 H 3.120 . 2 947 236 106 LYS HE3 H 3.120 . 2 948 236 106 LYS C C 177.112 . 1 949 236 106 LYS CA C 56.744 . 1 950 236 106 LYS CB C 32.594 . 1 951 236 106 LYS CG C 24.819 . 1 952 236 106 LYS CD C 29.100 . 1 953 236 106 LYS CE C 42.232 . 1 954 236 106 LYS N N 119.301 . 1 955 237 107 GLY H H 8.435 . 1 956 237 107 GLY HA2 H 4.163 . 1 957 237 107 GLY HA3 H 3.989 . 1 958 237 107 GLY C C 173.893 . 1 959 237 107 GLY CA C 45.576 . 1 960 237 107 GLY N N 109.203 . 1 961 238 108 ALA H H 8.118 . 1 962 238 108 ALA HA H 4.583 . 1 963 238 108 ALA HB H 1.585 . 1 964 238 108 ALA C C 177.515 . 1 965 238 108 ALA CA C 52.273 . 1 966 238 108 ALA CB C 20.082 . 1 967 238 108 ALA N N 123.042 . 1 968 239 109 SER H H 8.388 . 1 969 239 109 SER HA H 4.709 . 1 970 239 109 SER HB2 H 4.136 . 2 971 239 109 SER HB3 H 4.136 . 2 972 239 109 SER C C 173.761 . 1 973 239 109 SER CA C 58.516 . 1 974 239 109 SER CB C 64.682 . 1 975 239 109 SER N N 114.742 . 1 976 240 110 ALA H H 8.697 . 1 977 240 110 ALA HA H 4.746 . 1 978 240 110 ALA HB H 1.524 . 1 979 240 110 ALA C C 176.607 . 1 980 240 110 ALA CA C 52.613 . 1 981 240 110 ALA CB C 20.649 . 1 982 240 110 ALA N N 126.808 . 1 983 241 111 HIS H H 8.545 . 1 984 241 111 HIS HA H 5.271 . 1 985 241 111 HIS HB2 H 3.399 . 2 986 241 111 HIS HB3 H 3.399 . 2 987 241 111 HIS HD2 H 7.204 . 1 988 241 111 HIS HE1 H 8.202 . 1 989 241 111 HIS C C 172.707 . 1 990 241 111 HIS CA C 55.228 . 1 991 241 111 HIS CB C 32.106 . 1 992 241 111 HIS CD2 C 120.226 . 1 993 241 111 HIS CE1 C 137.640 . 1 994 241 111 HIS N N 117.560 . 1 995 242 112 ILE H H 8.625 . 1 996 242 112 ILE HA H 5.439 . 1 997 242 112 ILE HB H 1.880 . 1 998 242 112 ILE HG12 H 1.536 . 1 999 242 112 ILE HG13 H 1.331 . 1 1000 242 112 ILE HG2 H 0.947 . 1 1001 242 112 ILE HD1 H 0.907 . 1 1002 242 112 ILE C C 174.990 . 1 1003 242 112 ILE CA C 59.503 . 1 1004 242 112 ILE CB C 39.576 . 1 1005 242 112 ILE CG1 C 28.282 . 1 1006 242 112 ILE CG2 C 19.855 . 1 1007 242 112 ILE CD1 C 14.387 . 1 1008 242 112 ILE N N 119.903 . 1 1009 243 113 CYS H H 8.969 . 1 1010 243 113 CYS HA H 5.160 . 1 1011 243 113 CYS HB2 H 3.378 . 1 1012 243 113 CYS HB3 H 2.943 . 1 1013 243 113 CYS C C 171.464 . 1 1014 243 113 CYS CA C 56.384 . 1 1015 243 113 CYS CB C 32.671 . 1 1016 243 113 CYS N N 123.400 . 1 1017 244 114 ALA H H 8.947 . 1 1018 244 114 ALA HA H 5.508 . 1 1019 244 114 ALA HB H 1.403 . 1 1020 244 114 ALA C C 177.368 . 1 1021 244 114 ALA CA C 51.206 . 1 1022 244 114 ALA CB C 22.093 . 1 1023 244 114 ALA N N 123.705 . 1 1024 245 115 TRP H H 9.370 . 1 1025 245 115 TRP HA H 4.988 . 1 1026 245 115 TRP HB2 H 3.660 . 1 1027 245 115 TRP HB3 H 3.513 . 1 1028 245 115 TRP HD1 H 7.513 . 1 1029 245 115 TRP HE1 H 9.994 . 1 1030 245 115 TRP HZ2 H 7.418 . 1 1031 245 115 TRP HH2 H 6.970 . 1 1032 245 115 TRP C C 173.754 . 1 1033 245 115 TRP CA C 57.334 . 1 1034 245 115 TRP CB C 31.052 . 1 1035 245 115 TRP CD1 C 129.826 . 1 1036 245 115 TRP CZ2 C 114.014 . 1 1037 245 115 TRP CH2 C 123.914 . 1 1038 245 115 TRP N N 123.811 . 1 1039 245 115 TRP NE1 N 129.072 . 1 1040 246 116 LYS H H 7.994 . 1 1041 246 116 LYS HA H 4.864 . 1 1042 246 116 LYS HB2 H 1.918 . 2 1043 246 116 LYS HB3 H 1.918 . 2 1044 246 116 LYS HG2 H 1.638 . 2 1045 246 116 LYS HG3 H 1.638 . 2 1046 246 116 LYS HD2 H 1.832 . 2 1047 246 116 LYS HD3 H 1.832 . 2 1048 246 116 LYS HE2 H 3.104 . 2 1049 246 116 LYS HE3 H 3.104 . 2 1050 246 116 LYS C C 178.729 . 1 1051 246 116 LYS CA C 56.484 . 1 1052 246 116 LYS CB C 33.001 . 1 1053 246 116 LYS CE C 42.252 . 1 1054 246 116 LYS N N 119.481 . 1 1055 247 117 GLN H H 9.005 . 1 1056 247 117 GLN HA H 4.084 . 1 1057 247 117 GLN HB2 H 2.171 . 2 1058 247 117 GLN HB3 H 2.171 . 2 1059 247 117 GLN HG2 H 2.563 . 2 1060 247 117 GLN HG3 H 2.563 . 2 1061 247 117 GLN HE21 H 7.991 . 1 1062 247 117 GLN HE22 H 6.791 . 1 1063 247 117 GLN C C 176.395 . 1 1064 247 117 GLN CA C 57.373 . 1 1065 247 117 GLN CB C 30.243 . 1 1066 247 117 GLN CG C 34.057 . 1 1067 247 117 GLN N N 125.894 . 1 1068 247 117 GLN NE2 N 110.870 . 1 1069 248 118 HIS H H 9.695 . 1 1070 248 118 HIS HA H 5.021 . 1 1071 248 118 HIS HB2 H 3.363 . 2 1072 248 118 HIS HB3 H 3.363 . 2 1073 248 118 HIS HD2 H 7.462 . 1 1074 248 118 HIS HE1 H 8.402 . 1 1075 248 118 HIS C C 177.207 . 1 1076 248 118 HIS CA C 55.854 . 1 1077 248 118 HIS CB C 31.557 . 1 1078 248 118 HIS CD2 C 121.595 . 1 1079 248 118 HIS CE1 C 137.655 . 1 1080 248 118 HIS N N 126.999 . 1 1081 249 119 GLY H H 9.347 . 1 1082 249 119 GLY HA2 H 4.226 . 1 1083 249 119 GLY HA3 H 3.872 . 1 1084 249 119 GLY C C 174.880 . 1 1085 249 119 GLY CA C 46.685 . 1 1086 249 119 GLY N N 110.298 . 1 1087 250 120 GLY H H 9.158 . 1 1088 250 120 GLY HA2 H 4.661 . 1 1089 250 120 GLY HA3 H 4.044 . 1 1090 250 120 GLY CA C 44.579 . 1 1091 250 120 GLY N N 109.542 . 1 1092 251 121 PRO HA H 4.218 . 1 1093 251 121 PRO HB2 H 2.469 . 1 1094 251 121 PRO HB3 H 1.862 . 1 1095 251 121 PRO HG2 H 2.180 . 2 1096 251 121 PRO HG3 H 2.180 . 2 1097 251 121 PRO HD2 H 3.910 . 2 1098 251 121 PRO HD3 H 3.910 . 2 1099 251 121 PRO C C 177.105 . 1 1100 251 121 PRO CA C 65.262 . 1 1101 251 121 PRO CB C 32.075 . 1 1102 251 121 PRO CG C 27.607 . 1 1103 251 121 PRO CD C 50.284 . 1 1104 252 122 ASN H H 8.507 . 1 1105 252 122 ASN HA H 4.276 . 1 1106 252 122 ASN HB2 H 3.713 . 1 1107 252 122 ASN HB3 H 3.138 . 1 1108 252 122 ASN HD21 H 8.021 . 1 1109 252 122 ASN HD22 H 7.425 . 1 1110 252 122 ASN C C 176.476 . 1 1111 252 122 ASN CA C 55.716 . 1 1112 252 122 ASN CB C 36.550 . 1 1113 252 122 ASN N N 113.101 . 1 1114 252 122 ASN ND2 N 111.885 . 1 1115 253 123 GLN H H 7.651 . 1 1116 253 123 GLN HA H 5.087 . 1 1117 253 123 GLN HB2 H 2.537 . 1 1118 253 123 GLN HB3 H 1.916 . 1 1119 253 123 GLN C C 174.361 . 1 1120 253 123 GLN CA C 55.095 . 1 1121 253 123 GLN CB C 30.242 . 1 1122 253 123 GLN CG C 35.182 . 1 1123 253 123 GLN N N 119.457 . 1 1124 254 124 LYS H H 7.208 . 1 1125 254 124 LYS HA H 5.275 . 1 1126 254 124 LYS HB2 H 1.851 . 1 1127 254 124 LYS HB3 H 1.749 . 1 1128 254 124 LYS HG2 H 1.275 . 2 1129 254 124 LYS HG3 H 1.275 . 2 1130 254 124 LYS HD2 H 1.595 . 2 1131 254 124 LYS HD3 H 1.595 . 2 1132 254 124 LYS HE2 H 2.898 . 2 1133 254 124 LYS HE3 H 2.898 . 2 1134 254 124 LYS C C 175.824 . 1 1135 254 124 LYS CA C 55.459 . 1 1136 254 124 LYS CB C 35.137 . 1 1137 254 124 LYS CG C 25.501 . 1 1138 254 124 LYS CD C 29.319 . 1 1139 254 124 LYS CE C 42.245 . 1 1140 254 124 LYS N N 119.700 . 1 1141 255 125 PHE H H 9.332 . 1 1142 255 125 PHE HA H 5.391 . 1 1143 255 125 PHE HB2 H 2.878 . 1 1144 255 125 PHE HB3 H 2.342 . 1 1145 255 125 PHE HD1 H 7.070 . 3 1146 255 125 PHE HD2 H 7.070 . 3 1147 255 125 PHE HE1 H 7.121 . 3 1148 255 125 PHE HE2 H 7.121 . 3 1149 255 125 PHE HZ H 6.836 . 1 1150 255 125 PHE C C 173.929 . 1 1151 255 125 PHE CA C 57.026 . 1 1152 255 125 PHE CB C 44.232 . 1 1153 255 125 PHE CD1 C 132.489 . 3 1154 255 125 PHE CD2 C 132.489 . 3 1155 255 125 PHE CE1 C 130.397 . 3 1156 255 125 PHE CE2 C 130.397 . 3 1157 255 125 PHE CZ C 127.880 . 1 1158 255 125 PHE N N 123.200 . 1 1159 256 126 ILE H H 9.882 . 1 1160 256 126 ILE HA H 4.450 . 1 1161 256 126 ILE HB H 1.790 . 1 1162 256 126 ILE HG13 H 1.375 . 1 1163 256 126 ILE HG2 H 1.019 . 1 1164 256 126 ILE HD1 H 0.930 . 1 1165 256 126 ILE C C 174.559 . 1 1166 256 126 ILE CA C 59.947 . 1 1167 256 126 ILE CB C 41.909 . 1 1168 256 126 ILE CG1 C 28.064 . 1 1169 256 126 ILE CG2 C 18.001 . 1 1170 256 126 ILE CD1 C 14.387 . 1 1171 256 126 ILE N N 120.898 . 1 1172 257 127 ILE H H 8.638 . 1 1173 257 127 ILE HA H 5.046 . 1 1174 257 127 ILE HB H 2.032 . 1 1175 257 127 ILE HG12 H 1.217 . 1 1176 257 127 ILE HG13 H 1.217 . 1 1177 257 127 ILE HG2 H 0.494 . 1 1178 257 127 ILE HD1 H 0.518 . 1 1179 257 127 ILE C C 176.388 . 1 1180 257 127 ILE CA C 58.439 . 1 1181 257 127 ILE CB C 35.985 . 1 1182 257 127 ILE CG1 C 26.919 . 1 1183 257 127 ILE CG2 C 17.660 . 1 1184 257 127 ILE CD1 C 10.747 . 1 1185 257 127 ILE N N 126.346 . 1 1186 258 128 GLU H H 8.611 . 1 1187 258 128 GLU HA H 5.029 . 1 1188 258 128 GLU HB2 H 2.175 . 1 1189 258 128 GLU HB3 H 2.080 . 1 1190 258 128 GLU HG2 H 2.390 . 2 1191 258 128 GLU HG3 H 2.390 . 2 1192 258 128 GLU C C 175.254 . 1 1193 258 128 GLU CA C 54.406 . 1 1194 258 128 GLU CB C 34.264 . 1 1195 258 128 GLU CG C 36.491 . 1 1196 258 128 GLU N N 128.514 . 1 1197 259 129 SER H H 9.221 . 1 1198 259 129 SER HA H 4.733 . 1 1199 259 129 SER HB2 H 4.211 . 2 1200 259 129 SER HB3 H 4.211 . 2 1201 259 129 SER C C 174.293 . 1 1202 259 129 SER CA C 60.355 . 1 1203 259 129 SER CB C 64.207 . 1 1204 259 129 SER N N 122.101 . 1 1205 260 130 GLU H H 8.348 . 1 1206 260 130 GLU HA H 4.272 . 1 1207 260 130 GLU HB2 H 2.059 . 2 1208 260 130 GLU HB3 H 2.059 . 2 1209 260 130 GLU HG2 H 2.547 . 1 1210 260 130 GLU HG3 H 2.380 . 1 1211 260 130 GLU CA C 60.169 . 1 1212 260 130 GLU CB C 30.501 . 1 1213 260 130 GLU N N 129.300 . 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aromatic' '3D HCCH-COSY' 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 src _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 1 259 129 SER C C 174.204 . 1 2 260 130 GLU H H 8.290 . 1 3 260 130 GLU HA H 4.271 . 1 4 260 130 GLU CA C 60.176 . 1 5 260 130 GLU CB C 30.499 . 1 6 260 130 GLU N N 129.623 . 1 stop_ save_