data_26660 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for SRC in the lactose-bound state ; _BMRB_accession_number 26660 _BMRB_flat_file_name bmr26660.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" 773 "13C chemical shifts" 555 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-03 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26659 src 26661 src-6'-sialyllactose stop_ _Original_release_date 2015-09-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name src-lactose _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label src $src lactose $entity_LAT 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_ ############# # Ligands # ############# save_LAT _Saveframe_category ligand _Mol_type "non-polymer (SACCHARIDE)" _Name_common BETA-LACTOSE _BMRB_code LAT _PDB_code LAT _Molecular_mass 342.296 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? O3 O3 O . 0 . ? O4 O4 O . 0 . ? O5 O5 O . 0 . ? O6 O6 O . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? C3' C3' C . 0 . ? C4' C4' C . 0 . ? C5' C5' C . 0 . ? C6' C6' C . 0 . ? O1' O1' O . 0 . ? O2' O2' O . 0 . ? O3' O3' O . 0 . ? O5' O5' O . 0 . ? O6' O6' O . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? HO2 HO2 H . 0 . ? HO3 HO3 H . 0 . ? HO4 HO4 H . 0 . ? HO6 HO6 H . 0 . ? H1' H1' H . 0 . ? H2' H2' H . 0 . ? H3' H3' H . 0 . ? H4' H4' H . 0 . ? H5' H5' H . 0 . ? H6'1 H6'1 H . 0 . ? H6'2 H6'2 H . 0 . ? HO1' HO1' H . 0 . ? HO2' HO2' H . 0 . ? HO3' HO3' H . 0 . ? HO6' HO6' H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C1 O1 ? ? SING C1 O5 ? ? SING C1 H1 ? ? SING C2 C3 ? ? SING C2 O2 ? ? SING C2 H2 ? ? SING C3 C4 ? ? SING C3 O3 ? ? SING C3 H3 ? ? SING C4 C5 ? ? SING C4 O4 ? ? SING C4 H4 ? ? SING C5 C6 ? ? SING C5 O5 ? ? SING C5 H5 ? ? SING C6 O6 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING O1 C4' ? ? SING O2 HO2 ? ? SING O3 HO3 ? ? SING O4 HO4 ? ? SING O6 HO6 ? ? SING C1' C2' ? ? SING C1' O1' ? ? SING C1' O5' ? ? SING C1' H1' ? ? SING C2' C3' ? ? SING C2' O2' ? ? SING C2' H2' ? ? SING C3' C4' ? ? SING C3' O3' ? ? SING C3' H3' ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING C5' C6' ? ? SING C5' O5' ? ? SING C5' H5' ? ? SING C6' O6' ? ? SING C6' H6'1 ? ? SING C6' H6'2 ? ? SING O1' HO1' ? ? SING O2' HO2' ? ? SING O3' HO3' ? ? SING O6' HO6' ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_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 . . $entity_LAT . . . . . . 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' . . . . pET-27b $entity_LAT 'chemical synthesis' . . . . . 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]' $entity_LAT 72 mM 'natural abundance' 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_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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 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 HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' 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 4.436 . 1 2 131 1 PRO HB2 H 2.167 . 1 3 131 1 PRO HB3 H 1.521 . 1 4 131 1 PRO HG2 H 1.795 . 2 5 131 1 PRO HG3 H 1.795 . 2 6 131 1 PRO HD2 H 3.871 . 1 7 131 1 PRO HD3 H 3.589 . 1 8 131 1 PRO C C 175.517 . 1 9 131 1 PRO CA C 62.924 . 1 10 131 1 PRO CB C 32.416 . 1 11 131 1 PRO CG C 27.363 . 1 12 131 1 PRO CD C 50.792 . 1 13 132 2 LYS H H 8.218 . 1 14 132 2 LYS HA H 4.333 . 1 15 132 2 LYS HB2 H 1.833 . 2 16 132 2 LYS HB3 H 1.833 . 2 17 132 2 LYS HG2 H 1.460 . 1 18 132 2 LYS HG3 H 1.304 . 1 19 132 2 LYS HD2 H 1.774 . 2 20 132 2 LYS HD3 H 1.774 . 2 21 132 2 LYS HE2 H 3.013 . 2 22 132 2 LYS HE3 H 3.013 . 2 23 132 2 LYS C C 175.737 . 1 24 132 2 LYS CA C 56.321 . 1 25 132 2 LYS CB C 33.303 . 1 26 132 2 LYS CG C 24.928 . 1 27 132 2 LYS CD C 29.389 . 1 28 132 2 LYS CE C 42.277 . 1 29 132 2 LYS N N 121.423 . 1 30 133 3 PHE H H 8.372 . 1 31 133 3 PHE HA H 5.720 . 1 32 133 3 PHE HB2 H 3.073 . 2 33 133 3 PHE HB3 H 3.073 . 2 34 133 3 PHE HD1 H 7.327 . 3 35 133 3 PHE HD2 H 7.327 . 3 36 133 3 PHE HE1 H 7.223 . 3 37 133 3 PHE HE2 H 7.223 . 3 38 133 3 PHE HZ H 6.995 . 1 39 133 3 PHE C C 176.450 . 1 40 133 3 PHE CA C 56.821 . 1 41 133 3 PHE CB C 42.260 . 1 42 133 3 PHE CD1 C 132.215 . 3 43 133 3 PHE CD2 C 132.215 . 3 44 133 3 PHE CE1 C 131.165 . 3 45 133 3 PHE CE2 C 131.165 . 3 46 133 3 PHE CZ C 128.021 . 1 47 133 3 PHE N N 118.877 . 1 48 134 4 PHE H H 9.475 . 1 49 134 4 PHE HA H 5.586 . 1 50 134 4 PHE HB2 H 3.298 . 1 51 134 4 PHE HB3 H 3.069 . 1 52 134 4 PHE HD1 H 7.330 . 3 53 134 4 PHE HD2 H 7.330 . 3 54 134 4 PHE HE1 H 7.245 . 3 55 134 4 PHE HE2 H 7.245 . 3 56 134 4 PHE HZ H 7.019 . 1 57 134 4 PHE C C 174.467 . 1 58 134 4 PHE CA C 55.728 . 1 59 134 4 PHE CB C 42.334 . 1 60 134 4 PHE CD1 C 132.127 . 3 61 134 4 PHE CD2 C 132.127 . 3 62 134 4 PHE CE1 C 130.132 . 3 63 134 4 PHE CE2 C 130.132 . 3 64 134 4 PHE CZ C 128.010 . 1 65 134 4 PHE N N 117.366 . 1 66 135 5 TYR H H 10.042 . 1 67 135 5 TYR HA H 5.414 . 1 68 135 5 TYR HB2 H 3.314 . 1 69 135 5 TYR HB3 H 3.104 . 1 70 135 5 TYR HD1 H 7.198 . 3 71 135 5 TYR HD2 H 7.198 . 3 72 135 5 TYR HE1 H 6.769 . 3 73 135 5 TYR HE2 H 6.769 . 3 74 135 5 TYR C C 176.326 . 1 75 135 5 TYR CA C 57.024 . 1 76 135 5 TYR CB C 41.649 . 1 77 135 5 TYR CD1 C 134.414 . 3 78 135 5 TYR CD2 C 134.414 . 3 79 135 5 TYR CE1 C 117.923 . 3 80 135 5 TYR CE2 C 117.923 . 3 81 135 5 TYR N N 117.675 . 1 82 136 6 ILE H H 9.770 . 1 83 136 6 ILE HA H 4.665 . 1 84 136 6 ILE HB H 1.521 . 1 85 136 6 ILE HG12 H 1.887 . 1 86 136 6 ILE HG13 H 0.869 . 1 87 136 6 ILE HG2 H 0.503 . 1 88 136 6 ILE HD1 H 0.029 . 1 89 136 6 ILE C C 174.006 . 1 90 136 6 ILE CA C 62.009 . 1 91 136 6 ILE CB C 38.903 . 1 92 136 6 ILE CG1 C 26.717 . 1 93 136 6 ILE CG2 C 18.778 . 1 94 136 6 ILE CD1 C 12.939 . 1 95 136 6 ILE N N 121.903 . 1 96 137 7 LYS H H 9.621 . 1 97 137 7 LYS HA H 5.107 . 1 98 137 7 LYS HB2 H 2.111 . 1 99 137 7 LYS HB3 H 1.401 . 1 100 137 7 LYS HG2 H 1.102 . 2 101 137 7 LYS HG3 H 1.102 . 2 102 137 7 LYS HD2 H 1.775 . 1 103 137 7 LYS HD3 H 1.439 . 1 104 137 7 LYS HE2 H 2.727 . 1 105 137 7 LYS HE3 H 2.582 . 1 106 137 7 LYS C C 175.740 . 1 107 137 7 LYS CA C 54.939 . 1 108 137 7 LYS CB C 35.182 . 1 109 137 7 LYS CG C 23.603 . 1 110 137 7 LYS CD C 28.978 . 1 111 137 7 LYS CE C 41.313 . 1 112 137 7 LYS N N 127.859 . 1 113 138 8 SER H H 9.497 . 1 114 138 8 SER HA H 4.326 . 1 115 138 8 SER HB2 H 4.242 . 1 116 138 8 SER HB3 H 3.773 . 1 117 138 8 SER C C 177.299 . 1 118 138 8 SER CA C 58.316 . 1 119 138 8 SER CB C 64.099 . 1 120 138 8 SER N N 120.463 . 1 121 139 9 GLU H H 8.250 . 1 122 139 9 GLU HA H 4.173 . 1 123 139 9 GLU HB2 H 2.139 . 2 124 139 9 GLU HB3 H 2.139 . 2 125 139 9 GLU HG2 H 2.176 . 2 126 139 9 GLU HG3 H 2.176 . 2 127 139 9 GLU C C 176.757 . 1 128 139 9 GLU CA C 58.942 . 1 129 139 9 GLU CB C 30.147 . 1 130 139 9 GLU CG C 37.389 . 1 131 139 9 GLU N N 129.819 . 1 132 140 10 LEU H H 7.658 . 1 133 140 10 LEU HA H 4.132 . 1 134 140 10 LEU HB2 H 1.607 . 1 135 140 10 LEU HB3 H 1.278 . 1 136 140 10 LEU HG H 1.558 . 1 137 140 10 LEU HD1 H 0.977 . 2 138 140 10 LEU HD2 H 0.977 . 2 139 140 10 LEU C C 177.540 . 1 140 140 10 LEU CA C 57.311 . 1 141 140 10 LEU CB C 42.903 . 1 142 140 10 LEU CG C 26.051 . 1 143 140 10 LEU CD1 C 23.824 . 1 144 140 10 LEU CD2 C 23.827 . 1 145 140 10 LEU N N 118.025 . 1 146 141 11 ASN H H 7.006 . 1 147 141 11 ASN HA H 5.036 . 1 148 141 11 ASN HB2 H 3.350 . 1 149 141 11 ASN HB3 H 2.631 . 1 150 141 11 ASN HD21 H 7.830 . 1 151 141 11 ASN HD22 H 6.383 . 1 152 141 11 ASN C C 176.472 . 1 153 141 11 ASN CA C 51.614 . 1 154 141 11 ASN CB C 39.872 . 1 155 141 11 ASN N N 109.175 . 1 156 141 11 ASN ND2 N 107.623 . 1 157 142 12 GLY H H 8.145 . 1 158 142 12 GLY HA2 H 4.196 . 1 159 142 12 GLY HA3 H 3.897 . 1 160 142 12 GLY C C 173.765 . 1 161 142 12 GLY CA C 46.578 . 1 162 142 12 GLY N N 108.780 . 1 163 143 13 LYS H H 7.978 . 1 164 143 13 LYS HA H 4.602 . 1 165 143 13 LYS HB2 H 1.977 . 1 166 143 13 LYS HB3 H 1.853 . 1 167 143 13 LYS HG2 H 1.226 . 2 168 143 13 LYS HG3 H 1.226 . 2 169 143 13 LYS HD2 H 1.420 . 2 170 143 13 LYS HD3 H 1.420 . 2 171 143 13 LYS HE2 H 2.901 . 2 172 143 13 LYS HE3 H 2.901 . 2 173 143 13 LYS C C 174.891 . 1 174 143 13 LYS CA C 55.675 . 1 175 143 13 LYS CB C 34.265 . 1 176 143 13 LYS CG C 26.439 . 1 177 143 13 LYS CD C 29.424 . 1 178 143 13 LYS CE C 42.591 . 1 179 143 13 LYS N N 120.173 . 1 180 144 14 VAL H H 9.015 . 1 181 144 14 VAL HA H 5.846 . 1 182 144 14 VAL HB H 3.248 . 1 183 144 14 VAL HG1 H 1.285 . 1 184 144 14 VAL HG2 H 0.922 . 1 185 144 14 VAL C C 176.377 . 1 186 144 14 VAL CA C 58.437 . 1 187 144 14 VAL CB C 33.393 . 1 188 144 14 VAL CG1 C 18.866 . 1 189 144 14 VAL CG2 C 21.734 . 1 190 144 14 VAL N N 109.723 . 1 191 145 15 LEU H H 8.855 . 1 192 145 15 LEU HA H 4.745 . 1 193 145 15 LEU HB2 H 1.735 . 1 194 145 15 LEU HB3 H 1.635 . 1 195 145 15 LEU HG H 1.592 . 1 196 145 15 LEU HD1 H 0.475 . 2 197 145 15 LEU HD2 H 0.475 . 2 198 145 15 LEU C C 179.069 . 1 199 145 15 LEU CA C 57.904 . 1 200 145 15 LEU CB C 41.794 . 1 201 145 15 LEU CG C 27.200 . 1 202 145 15 LEU CD1 C 23.834 . 2 203 145 15 LEU CD2 C 23.834 . 2 204 145 15 LEU N N 120.992 . 1 205 146 16 ASP H H 9.160 . 1 206 146 16 ASP HA H 5.337 . 1 207 146 16 ASP HB2 H 2.839 . 1 208 146 16 ASP HB3 H 2.534 . 1 209 146 16 ASP C C 174.401 . 1 210 146 16 ASP CA C 53.520 . 1 211 146 16 ASP CB C 46.266 . 1 212 146 16 ASP N N 125.603 . 1 213 147 17 ILE H H 8.505 . 1 214 147 17 ILE HA H 4.212 . 1 215 147 17 ILE HB H 1.605 . 1 216 147 17 ILE HG12 H 1.829 . 1 217 147 17 ILE HG13 H 1.829 . 1 218 147 17 ILE HG2 H 0.994 . 1 219 147 17 ILE HD1 H 0.803 . 1 220 147 17 ILE C C 175.813 . 1 221 147 17 ILE CA C 62.936 . 1 222 147 17 ILE CB C 38.334 . 1 223 147 17 ILE CG1 C 28.246 . 1 224 147 17 ILE CG2 C 18.793 . 1 225 147 17 ILE CD1 C 15.910 . 1 226 147 17 ILE N N 123.500 . 1 227 148 18 GLY H H 8.391 . 1 228 148 18 GLY HA2 H 3.953 . 1 229 148 18 GLY HA3 H 3.803 . 1 230 148 18 GLY C C 176.845 . 1 231 148 18 GLY CA C 46.931 . 1 232 148 18 GLY N N 119.257 . 1 233 149 19 GLY H H 9.652 . 1 234 149 19 GLY HA2 H 3.972 . 2 235 149 19 GLY HA3 H 3.972 . 2 236 149 19 GLY C C 175.323 . 1 237 149 19 GLY CA C 46.547 . 1 238 149 19 GLY N N 116.558 . 1 239 150 20 GLN H H 8.455 . 1 240 150 20 GLN HA H 3.375 . 1 241 150 20 GLN HB2 H 2.176 . 2 242 150 20 GLN HB3 H 2.176 . 2 243 150 20 GLN HG2 H 2.236 . 2 244 150 20 GLN HG3 H 2.236 . 2 245 150 20 GLN HE21 H 7.512 . 1 246 150 20 GLN HE22 H 6.914 . 1 247 150 20 GLN C C 173.472 . 1 248 150 20 GLN CA C 56.042 . 1 249 150 20 GLN CB C 28.301 . 1 250 150 20 GLN CG C 34.729 . 1 251 150 20 GLN N N 113.351 . 1 252 150 20 GLN NE2 N 111.510 . 1 253 151 21 ASN H H 6.572 . 1 254 151 21 ASN HA H 4.685 . 1 255 151 21 ASN HB2 H 3.346 . 1 256 151 21 ASN HB3 H 2.706 . 1 257 151 21 ASN CA C 51.308 . 1 258 151 21 ASN CB C 39.579 . 1 259 151 21 ASN N N 118.502 . 1 260 152 22 PRO HA H 4.347 . 1 261 152 22 PRO HB2 H 2.104 . 2 262 152 22 PRO HB3 H 2.104 . 2 263 152 22 PRO HG2 H 1.961 . 2 264 152 22 PRO HG3 H 1.961 . 2 265 152 22 PRO HD2 H 3.988 . 2 266 152 22 PRO HD3 H 3.988 . 2 267 152 22 PRO C C 176.808 . 1 268 152 22 PRO CA C 62.922 . 1 269 152 22 PRO CB C 32.367 . 1 270 152 22 PRO CG C 26.351 . 1 271 152 22 PRO CD C 50.306 . 1 272 153 23 ALA H H 8.142 . 1 273 153 23 ALA HA H 4.687 . 1 274 153 23 ALA HB H 1.475 . 1 275 153 23 ALA CA C 51.587 . 1 276 153 23 ALA CB C 17.901 . 1 277 153 23 ALA N N 125.056 . 1 278 154 24 PRO HA H 4.452 . 1 279 154 24 PRO HB2 H 2.351 . 2 280 154 24 PRO HB3 H 2.351 . 2 281 154 24 PRO HG2 H 2.190 . 2 282 154 24 PRO HG3 H 2.190 . 2 283 154 24 PRO HD2 H 4.212 . 1 284 154 24 PRO HD3 H 3.975 . 1 285 154 24 PRO C C 176.852 . 1 286 154 24 PRO CA C 64.035 . 1 287 154 24 PRO CB C 32.196 . 1 288 154 24 PRO CG C 27.814 . 1 289 154 24 PRO CD C 50.804 . 1 290 155 25 GLY H H 9.517 . 1 291 155 25 GLY HA2 H 4.212 . 1 292 155 25 GLY HA3 H 3.851 . 1 293 155 25 GLY C C 174.504 . 1 294 155 25 GLY CA C 45.768 . 1 295 155 25 GLY N N 112.872 . 1 296 156 26 SER H H 7.326 . 1 297 156 26 SER HA H 4.581 . 1 298 156 26 SER HB2 H 4.147 . 2 299 156 26 SER HB3 H 4.147 . 2 300 156 26 SER C C 173.428 . 1 301 156 26 SER CA C 59.440 . 1 302 156 26 SER CB C 63.392 . 1 303 156 26 SER N N 117.400 . 1 304 157 27 LYS H H 8.716 . 1 305 157 27 LYS HA H 4.557 . 1 306 157 27 LYS HB2 H 2.058 . 2 307 157 27 LYS HB3 H 2.058 . 2 308 157 27 LYS HG2 H 1.770 . 2 309 157 27 LYS HG3 H 1.770 . 2 310 157 27 LYS HD2 H 1.805 . 2 311 157 27 LYS HD3 H 1.805 . 2 312 157 27 LYS HE2 H 3.164 . 2 313 157 27 LYS HE3 H 3.164 . 2 314 157 27 LYS C C 176.487 . 1 315 157 27 LYS CA C 57.293 . 1 316 157 27 LYS CB C 32.959 . 1 317 157 27 LYS CG C 25.524 . 1 318 157 27 LYS CD C 29.051 . 1 319 157 27 LYS CE C 42.514 . 1 320 157 27 LYS N N 124.173 . 1 321 158 28 ILE H H 7.569 . 1 322 158 28 ILE HA H 4.974 . 1 323 158 28 ILE HB H 1.611 . 1 324 158 28 ILE HG12 H 2.001 . 1 325 158 28 ILE HG13 H 2.001 . 1 326 158 28 ILE HG2 H 1.037 . 1 327 158 28 ILE HD1 H 0.911 . 1 328 158 28 ILE C C 174.379 . 1 329 158 28 ILE CA C 60.775 . 1 330 158 28 ILE CB C 38.698 . 1 331 158 28 ILE CG1 C 28.963 . 1 332 158 28 ILE CG2 C 18.749 . 1 333 158 28 ILE CD1 C 15.559 . 1 334 158 28 ILE N N 123.012 . 1 335 159 29 ILE H H 9.717 . 1 336 159 29 ILE HA H 5.286 . 1 337 159 29 ILE HB H 2.411 . 1 338 159 29 ILE HG12 H 1.457 . 1 339 159 29 ILE HG13 H 1.457 . 1 340 159 29 ILE HG2 H 0.983 . 1 341 159 29 ILE HD1 H 0.959 . 1 342 159 29 ILE C C 176.194 . 1 343 159 29 ILE CA C 59.737 . 1 344 159 29 ILE CB C 42.109 . 1 345 159 29 ILE CG1 C 25.846 . 1 346 159 29 ILE CG2 C 17.827 . 1 347 159 29 ILE CD1 C 14.959 . 1 348 159 29 ILE N N 122.373 . 1 349 160 30 THR H H 8.175 . 1 350 160 30 THR HA H 5.588 . 1 351 160 30 THR HB H 4.252 . 1 352 160 30 THR HG2 H 1.282 . 1 353 160 30 THR C C 174.774 . 1 354 160 30 THR CA C 59.511 . 1 355 160 30 THR CB C 70.169 . 1 356 160 30 THR CG2 C 22.876 . 1 357 160 30 THR N N 106.228 . 1 358 161 31 TRP H H 9.489 . 1 359 161 31 TRP HA H 4.981 . 1 360 161 31 TRP HB2 H 3.170 . 2 361 161 31 TRP HB3 H 3.170 . 2 362 161 31 TRP HD1 H 7.546 . 1 363 161 31 TRP HE1 H 10.637 . 1 364 161 31 TRP HZ2 H 7.684 . 1 365 161 31 TRP HH2 H 7.432 . 1 366 161 31 TRP C C 173.245 . 1 367 161 31 TRP CA C 55.361 . 1 368 161 31 TRP CB C 36.063 . 1 369 161 31 TRP CD1 C 128.730 . 1 370 161 31 TRP CZ2 C 114.712 . 1 371 161 31 TRP CH2 C 125.025 . 1 372 161 31 TRP N N 124.795 . 1 373 161 31 TRP NE1 N 130.076 . 1 374 162 32 ASP H H 6.576 . 1 375 162 32 ASP HA H 4.504 . 1 376 162 32 ASP HB2 H 2.121 . 2 377 162 32 ASP HB3 H 2.121 . 2 378 162 32 ASP C C 176.179 . 1 379 162 32 ASP CA C 55.877 . 1 380 162 32 ASP CB C 41.375 . 1 381 162 32 ASP N N 124.569 . 1 382 163 33 GLN H H 8.855 . 1 383 163 33 GLN HA H 4.376 . 1 384 163 33 GLN HB2 H 2.079 . 2 385 163 33 GLN HB3 H 2.079 . 2 386 163 33 GLN HG2 H 2.026 . 2 387 163 33 GLN HG3 H 2.026 . 2 388 163 33 GLN HE21 H 7.285 . 1 389 163 33 GLN HE22 H 3.610 . 1 390 163 33 GLN C C 175.872 . 1 391 163 33 GLN CA C 57.520 . 1 392 163 33 GLN CB C 29.680 . 1 393 163 33 GLN CG C 33.104 . 1 394 163 33 GLN N N 123.236 . 1 395 163 33 GLN NE2 N 107.706 . 1 396 164 34 LYS H H 10.594 . 1 397 164 34 LYS HA H 4.748 . 1 398 164 34 LYS HB2 H 1.737 . 1 399 164 34 LYS HB3 H 1.670 . 1 400 164 34 LYS HG2 H 1.595 . 2 401 164 34 LYS HG3 H 1.595 . 2 402 164 34 LYS HD2 H 1.797 . 2 403 164 34 LYS HD3 H 1.797 . 2 404 164 34 LYS HE2 H 3.194 . 2 405 164 34 LYS HE3 H 3.194 . 2 406 164 34 LYS C C 175.418 . 1 407 164 34 LYS CA C 55.435 . 1 408 164 34 LYS CB C 34.687 . 1 409 164 34 LYS CG C 25.202 . 1 410 164 34 LYS CD C 29.622 . 1 411 164 34 LYS CE C 41.680 . 1 412 164 34 LYS N N 131.679 . 1 413 165 35 LYS H H 8.867 . 1 414 165 35 LYS HA H 4.616 . 1 415 165 35 LYS HB2 H 1.977 . 1 416 165 35 LYS HB3 H 1.853 . 1 417 165 35 LYS HG2 H 1.522 . 2 418 165 35 LYS HG3 H 1.522 . 2 419 165 35 LYS HD2 H 1.807 . 2 420 165 35 LYS HD3 H 1.807 . 2 421 165 35 LYS HE2 H 2.963 . 2 422 165 35 LYS HE3 H 2.963 . 2 423 165 35 LYS C C 175.901 . 1 424 165 35 LYS CA C 55.566 . 1 425 165 35 LYS CB C 35.949 . 1 426 165 35 LYS CG C 24.983 . 1 427 165 35 LYS CD C 29.212 . 1 428 165 35 LYS CE C 42.236 . 1 429 165 35 LYS N N 120.771 . 1 430 166 36 GLY H H 9.086 . 1 431 166 36 GLY HA2 H 4.678 . 1 432 166 36 GLY HA3 H 3.931 . 1 433 166 36 GLY CA C 44.641 . 1 434 166 36 GLY N N 110.813 . 1 435 167 37 PRO HA H 4.263 . 1 436 167 37 PRO HB2 H 2.491 . 1 437 167 37 PRO HB3 H 2.087 . 1 438 167 37 PRO HG2 H 2.187 . 2 439 167 37 PRO HG3 H 2.187 . 2 440 167 37 PRO HD2 H 3.943 . 1 441 167 37 PRO HD3 H 3.795 . 1 442 167 37 PRO C C 179.084 . 1 443 167 37 PRO CA C 65.657 . 1 444 167 37 PRO CB C 32.470 . 1 445 167 37 PRO CG C 27.675 . 1 446 167 37 PRO CD C 49.860 . 1 447 168 38 THR H H 8.414 . 1 448 168 38 THR HA H 4.392 . 1 449 168 38 THR HB H 4.680 . 1 450 168 38 THR HG2 H 1.404 . 1 451 168 38 THR C C 174.730 . 1 452 168 38 THR CA C 62.982 . 1 453 168 38 THR CB C 68.846 . 1 454 168 38 THR CG2 C 21.676 . 1 455 168 38 THR N N 106.962 . 1 456 169 39 ALA H H 8.113 . 1 457 169 39 ALA HA H 4.137 . 1 458 169 39 ALA HB H 1.554 . 1 459 169 39 ALA C C 176.369 . 1 460 169 39 ALA CA C 52.923 . 1 461 169 39 ALA CB C 19.161 . 1 462 169 39 ALA N N 121.702 . 1 463 170 40 VAL H H 6.781 . 1 464 170 40 VAL HA H 3.498 . 1 465 170 40 VAL HB H 2.133 . 1 466 170 40 VAL HG1 H 0.835 . 2 467 170 40 VAL HG2 H 0.835 . 2 468 170 40 VAL C C 173.392 . 1 469 170 40 VAL CA C 65.825 . 1 470 170 40 VAL CB C 31.453 . 1 471 170 40 VAL CG1 C 21.193 . 1 472 170 40 VAL CG2 C 19.817 . 1 473 170 40 VAL N N 116.684 . 1 474 171 41 ASN H H 7.796 . 1 475 171 41 ASN HA H 4.414 . 1 476 171 41 ASN HB2 H 3.027 . 1 477 171 41 ASN HB3 H 2.206 . 1 478 171 41 ASN HD21 H 6.616 . 1 479 171 41 ASN HD22 H 5.805 . 1 480 171 41 ASN C C 172.777 . 1 481 171 41 ASN CA C 54.303 . 1 482 171 41 ASN CB C 37.753 . 1 483 171 41 ASN N N 112.975 . 1 484 171 41 ASN ND2 N 112.242 . 1 485 172 42 GLN H H 8.524 . 1 486 172 42 GLN HA H 5.161 . 1 487 172 42 GLN HB2 H 2.843 . 1 488 172 42 GLN HB3 H 2.503 . 1 489 172 42 GLN HG2 H 2.180 . 2 490 172 42 GLN HG3 H 2.180 . 2 491 172 42 GLN C C 174.189 . 1 492 172 42 GLN CA C 53.598 . 1 493 172 42 GLN CB C 30.478 . 1 494 172 42 GLN CG C 33.748 . 1 495 172 42 GLN N N 117.123 . 1 496 173 43 LEU H H 6.679 . 1 497 173 43 LEU HA H 4.912 . 1 498 173 43 LEU HB2 H 1.405 . 1 499 173 43 LEU HB3 H 0.775 . 1 500 173 43 LEU HG H 1.246 . 1 501 173 43 LEU HD1 H 0.511 . 1 502 173 43 LEU HD2 H 0.016 . 1 503 173 43 LEU C C 176.384 . 1 504 173 43 LEU CA C 52.728 . 1 505 173 43 LEU CB C 46.037 . 1 506 173 43 LEU CG C 26.358 . 1 507 173 43 LEU CD1 C 21.763 . 2 508 173 43 LEU CD2 C 21.763 . 2 509 173 43 LEU N N 118.514 . 1 510 174 44 TRP H H 9.066 . 1 511 174 44 TRP HA H 5.393 . 1 512 174 44 TRP HB2 H 3.117 . 1 513 174 44 TRP HB3 H 2.112 . 1 514 174 44 TRP HD1 H 7.610 . 1 515 174 44 TRP HE1 H 9.156 . 1 516 174 44 TRP HZ2 H 6.931 . 1 517 174 44 TRP HZ3 H 7.245 . 1 518 174 44 TRP HH2 H 6.728 . 1 519 174 44 TRP C C 172.601 . 1 520 174 44 TRP CA C 55.558 . 1 521 174 44 TRP CB C 32.991 . 1 522 174 44 TRP CD1 C 129.873 . 1 523 174 44 TRP CZ2 C 111.513 . 1 524 174 44 TRP CZ3 C 121.292 . 1 525 174 44 TRP CH2 C 122.881 . 1 526 174 44 TRP N N 125.211 . 1 527 174 44 TRP NE1 N 126.533 . 1 528 175 45 TYR H H 9.427 . 1 529 175 45 TYR HA H 5.226 . 1 530 175 45 TYR HB2 H 3.002 . 2 531 175 45 TYR HB3 H 3.002 . 2 532 175 45 TYR HD1 H 6.887 . 3 533 175 45 TYR HD2 H 6.887 . 3 534 175 45 TYR HE1 H 6.772 . 3 535 175 45 TYR HE2 H 6.772 . 3 536 175 45 TYR C C 173.384 . 1 537 175 45 TYR CA C 56.150 . 1 538 175 45 TYR CB C 41.397 . 1 539 175 45 TYR CD1 C 133.666 . 3 540 175 45 TYR CD2 C 133.666 . 3 541 175 45 TYR CE1 C 117.923 . 3 542 175 45 TYR CE2 C 117.923 . 3 543 175 45 TYR N N 115.977 . 1 544 176 46 THR H H 8.925 . 1 545 176 46 THR HA H 5.277 . 1 546 176 46 THR HB H 4.073 . 1 547 176 46 THR HG2 H 1.402 . 1 548 176 46 THR C C 175.426 . 1 549 176 46 THR CA C 58.958 . 1 550 176 46 THR CB C 71.008 . 1 551 176 46 THR CG2 C 22.393 . 1 552 176 46 THR N N 108.147 . 1 553 177 47 ASP H H 8.956 . 1 554 177 47 ASP HA H 4.768 . 1 555 177 47 ASP HB2 H 2.520 . 2 556 177 47 ASP HB3 H 2.520 . 2 557 177 47 ASP CA C 52.682 . 1 558 177 47 ASP CB C 41.013 . 1 559 177 47 ASP N N 124.768 . 1 560 178 48 GLN H H 8.678 . 1 561 178 48 GLN HA H 4.246 . 1 562 178 48 GLN HB2 H 2.285 . 2 563 178 48 GLN HB3 H 2.285 . 2 564 178 48 GLN HG2 H 2.625 . 2 565 178 48 GLN HG3 H 2.625 . 2 566 178 48 GLN HE21 H 7.797 . 1 567 178 48 GLN HE22 H 7.084 . 1 568 178 48 GLN C C 177.350 . 1 569 178 48 GLN CA C 59.193 . 1 570 178 48 GLN CB C 28.503 . 1 571 178 48 GLN CG C 34.334 . 1 572 178 48 GLN N N 116.779 . 1 573 178 48 GLN NE2 N 112.983 . 1 574 179 49 GLN H H 8.589 . 1 575 179 49 GLN HA H 4.555 . 1 576 179 49 GLN HB2 H 2.318 . 2 577 179 49 GLN HB3 H 2.318 . 2 578 179 49 GLN HG2 H 2.506 . 2 579 179 49 GLN HG3 H 2.506 . 2 580 179 49 GLN HE21 H 7.777 . 1 581 179 49 GLN HE22 H 6.958 . 1 582 179 49 GLN C C 175.437 . 1 583 179 49 GLN CA C 56.148 . 1 584 179 49 GLN CB C 29.622 . 1 585 179 49 GLN CG C 35.270 . 1 586 179 49 GLN N N 118.351 . 1 587 179 49 GLN NE2 N 111.831 . 1 588 180 50 GLY H H 8.319 . 1 589 180 50 GLY HA2 H 4.410 . 1 590 180 50 GLY HA3 H 3.688 . 1 591 180 50 GLY C C 172.985 . 1 592 180 50 GLY CA C 45.114 . 1 593 180 50 GLY N N 108.187 . 1 594 181 51 VAL H H 8.208 . 1 595 181 51 VAL HA H 4.213 . 1 596 181 51 VAL HB H 2.482 . 1 597 181 51 VAL HG1 H 1.128 . 1 598 181 51 VAL HG2 H 0.837 . 1 599 181 51 VAL C C 176.571 . 1 600 181 51 VAL CA C 63.119 . 1 601 181 51 VAL CB C 31.304 . 1 602 181 51 VAL CG1 C 22.963 . 2 603 181 51 VAL CG2 C 22.963 . 2 604 181 51 VAL N N 123.156 . 1 605 182 52 ILE H H 8.942 . 1 606 182 52 ILE HA H 4.305 . 1 607 182 52 ILE HB H 1.521 . 1 608 182 52 ILE HG12 H 1.426 . 1 609 182 52 ILE HG13 H 1.149 . 1 610 182 52 ILE HG2 H 0.869 . 1 611 182 52 ILE HD1 H 0.724 . 1 612 182 52 ILE C C 175.049 . 1 613 182 52 ILE CA C 63.098 . 1 614 182 52 ILE CB C 39.624 . 1 615 182 52 ILE CG2 C 19.159 . 1 616 182 52 ILE CD1 C 15.529 . 1 617 182 52 ILE N N 128.043 . 1 618 183 53 ARG H H 9.043 . 1 619 183 53 ARG HA H 5.298 . 1 620 183 53 ARG HB2 H 1.290 . 1 621 183 53 ARG HB3 H 0.402 . 1 622 183 53 ARG HG2 H 1.514 . 2 623 183 53 ARG HG3 H 1.514 . 2 624 183 53 ARG HD2 H 3.249 . 1 625 183 53 ARG HD3 H 2.961 . 1 626 183 53 ARG C C 176.358 . 1 627 183 53 ARG CA C 51.767 . 1 628 183 53 ARG CB C 34.865 . 1 629 183 53 ARG CD C 42.792 . 1 630 183 53 ARG N N 122.891 . 1 631 184 54 SER H H 9.066 . 1 632 184 54 SER HA H 4.169 . 1 633 184 54 SER HB2 H 3.800 . 1 634 184 54 SER HB3 H 3.598 . 1 635 184 54 SER C C 177.427 . 1 636 184 54 SER CA C 57.468 . 1 637 184 54 SER CB C 63.729 . 1 638 184 54 SER N N 112.254 . 1 639 185 55 LYS H H 8.517 . 1 640 185 55 LYS HA H 4.026 . 1 641 185 55 LYS C C 176.834 . 1 642 185 55 LYS CA C 59.185 . 1 643 185 55 LYS CB C 33.745 . 1 644 185 55 LYS N N 128.454 . 1 645 186 56 LEU H H 8.125 . 1 646 186 56 LEU HA H 3.637 . 1 647 186 56 LEU HB2 H 1.538 . 1 648 186 56 LEU HB3 H 0.893 . 1 649 186 56 LEU HG H 1.114 . 1 650 186 56 LEU HD1 H 0.772 . 1 651 186 56 LEU HD2 H 0.464 . 1 652 186 56 LEU CA C 57.580 . 1 653 186 56 LEU CB C 42.647 . 1 654 186 56 LEU N N 118.152 . 1 655 187 57 ASN H H 6.464 . 1 656 187 57 ASN HA H 4.583 . 1 657 187 57 ASN C C 173.966 . 1 658 187 57 ASN CA C 51.697 . 1 659 187 57 ASN CB C 38.264 . 1 660 187 57 ASN N N 109.352 . 1 661 188 58 ASP H H 8.490 . 1 662 188 58 ASP HA H 4.923 . 1 663 188 58 ASP HB2 H 3.304 . 1 664 188 58 ASP HB3 H 3.197 . 1 665 188 58 ASP C C 176.534 . 1 666 188 58 ASP CA C 57.195 . 1 667 188 58 ASP CB C 40.794 . 1 668 188 58 ASP N N 112.386 . 1 669 189 59 PHE H H 8.164 . 1 670 189 59 PHE HA H 5.103 . 1 671 189 59 PHE HB2 H 3.547 . 1 672 189 59 PHE HB3 H 3.321 . 1 673 189 59 PHE HD1 H 7.091 . 3 674 189 59 PHE HD2 H 7.091 . 3 675 189 59 PHE HE1 H 7.355 . 3 676 189 59 PHE HE2 H 7.355 . 3 677 189 59 PHE HZ H 7.481 . 1 678 189 59 PHE C C 174.855 . 1 679 189 59 PHE CA C 55.297 . 1 680 189 59 PHE CB C 37.160 . 1 681 189 59 PHE CD1 C 129.263 . 3 682 189 59 PHE CD2 C 129.263 . 3 683 189 59 PHE CE1 C 130.747 . 3 684 189 59 PHE CE2 C 130.747 . 3 685 189 59 PHE CZ C 129.027 . 1 686 189 59 PHE N N 120.628 . 1 687 190 60 ALA H H 8.828 . 1 688 190 60 ALA HA H 5.259 . 1 689 190 60 ALA HB H 2.063 . 1 690 190 60 ALA C C 176.702 . 1 691 190 60 ALA CA C 50.374 . 1 692 190 60 ALA CB C 22.858 . 1 693 190 60 ALA N N 120.848 . 1 694 191 61 ILE H H 8.078 . 1 695 191 61 ILE HA H 3.789 . 1 696 191 61 ILE HB H 1.743 . 1 697 191 61 ILE HG12 H 0.453 . 1 698 191 61 ILE HG13 H 0.453 . 1 699 191 61 ILE HG2 H 0.073 . 1 700 191 61 ILE HD1 H -0.015 . 1 701 191 61 ILE C C 173.373 . 1 702 191 61 ILE CA C 62.832 . 1 703 191 61 ILE CB C 38.531 . 1 704 191 61 ILE CG1 C 28.502 . 1 705 191 61 ILE CG2 C 17.197 . 1 706 191 61 ILE CD1 C 12.332 . 1 707 191 61 ILE N N 119.711 . 1 708 192 62 ASP H H 9.230 . 1 709 192 62 ASP HA H 5.515 . 1 710 192 62 ASP HB2 H 3.062 . 1 711 192 62 ASP HB3 H 2.168 . 1 712 192 62 ASP C C 175.737 . 1 713 192 62 ASP CA C 53.240 . 1 714 192 62 ASP CB C 45.825 . 1 715 192 62 ASP N N 122.849 . 1 716 193 63 ALA H H 8.121 . 1 717 193 63 ALA HA H 5.095 . 1 718 193 63 ALA HB H 1.562 . 1 719 193 63 ALA C C 176.812 . 1 720 193 63 ALA CA C 50.102 . 1 721 193 63 ALA CB C 21.789 . 1 722 193 63 ALA N N 128.799 . 1 723 194 64 SER H H 9.198 . 1 724 194 64 SER HA H 4.212 . 1 725 194 64 SER HB2 H 3.692 . 2 726 194 64 SER HB3 H 3.692 . 2 727 194 64 SER C C 174.456 . 1 728 194 64 SER CA C 62.127 . 1 729 194 64 SER CB C 62.361 . 1 730 194 64 SER N N 117.977 . 1 731 195 65 HIS H H 9.053 . 1 732 195 65 HIS HA H 5.068 . 1 733 195 65 HIS HB2 H 3.630 . 1 734 195 65 HIS HB3 H 3.289 . 1 735 195 65 HIS HD2 H 7.351 . 1 736 195 65 HIS HE1 H 8.525 . 1 737 195 65 HIS C C 173.520 . 1 738 195 65 HIS CA C 53.814 . 1 739 195 65 HIS CB C 29.912 . 1 740 195 65 HIS CD2 C 120.539 . 1 741 195 65 HIS CE1 C 136.354 . 1 742 195 65 HIS N N 120.519 . 1 743 196 66 GLU H H 8.639 . 1 744 196 66 GLU HA H 4.153 . 1 745 196 66 GLU HB2 H 2.244 . 2 746 196 66 GLU HB3 H 2.244 . 2 747 196 66 GLU HG2 H 2.462 . 2 748 196 66 GLU HG3 H 2.462 . 2 749 196 66 GLU C C 176.731 . 1 750 196 66 GLU CA C 59.931 . 1 751 196 66 GLU CB C 29.894 . 1 752 196 66 GLU CG C 36.887 . 1 753 196 66 GLU N N 118.313 . 1 754 197 67 GLN H H 7.851 . 1 755 197 67 GLN HA H 5.146 . 1 756 197 67 GLN HB2 H 2.166 . 2 757 197 67 GLN HB3 H 2.166 . 2 758 197 67 GLN HG2 H 2.381 . 2 759 197 67 GLN HG3 H 2.381 . 2 760 197 67 GLN HE21 H 7.777 . 1 761 197 67 GLN HE22 H 6.830 . 1 762 197 67 GLN C C 177.090 . 1 763 197 67 GLN CA C 54.363 . 1 764 197 67 GLN CB C 30.041 . 1 765 197 67 GLN CG C 33.858 . 1 766 197 67 GLN N N 114.646 . 1 767 197 67 GLN NE2 N 111.822 . 1 768 198 68 ILE H H 8.544 . 1 769 198 68 ILE HA H 4.767 . 1 770 198 68 ILE HB H 1.821 . 1 771 198 68 ILE HG12 H 1.355 . 1 772 198 68 ILE HG13 H 1.355 . 1 773 198 68 ILE HG2 H 0.730 . 1 774 198 68 ILE HD1 H 0.588 . 1 775 198 68 ILE C C 175.298 . 1 776 198 68 ILE CA C 62.373 . 1 777 198 68 ILE CB C 38.263 . 1 778 198 68 ILE CG2 C 19.181 . 1 779 198 68 ILE CD1 C 13.869 . 1 780 198 68 ILE N N 121.182 . 1 781 199 69 GLU H H 8.740 . 1 782 199 69 GLU HA H 5.555 . 1 783 199 69 GLU HB2 H 2.093 . 1 784 199 69 GLU HB3 H 1.807 . 1 785 199 69 GLU HG2 H 2.467 . 1 786 199 69 GLU HG3 H 2.230 . 1 787 199 69 GLU C C 174.800 . 1 788 199 69 GLU CA C 53.981 . 1 789 199 69 GLU CB C 35.040 . 1 790 199 69 GLU CG C 35.497 . 1 791 199 69 GLU N N 120.246 . 1 792 200 70 THR H H 9.039 . 1 793 200 70 THR HA H 5.459 . 1 794 200 70 THR HB H 4.691 . 1 795 200 70 THR HG2 H 1.525 . 1 796 200 70 THR C C 176.307 . 1 797 200 70 THR CA C 59.959 . 1 798 200 70 THR CB C 70.284 . 1 799 200 70 THR CG2 C 23.936 . 1 800 200 70 THR N N 110.564 . 1 801 201 71 GLN H H 8.778 . 1 802 201 71 GLN HA H 4.644 . 1 803 201 71 GLN HG2 H 2.472 . 2 804 201 71 GLN HG3 H 2.472 . 2 805 201 71 GLN HE21 H 7.990 . 1 806 201 71 GLN HE22 H 6.833 . 1 807 201 71 GLN CA C 54.016 . 1 808 201 71 GLN CB C 34.027 . 1 809 201 71 GLN N N 121.005 . 1 810 201 71 GLN NE2 N 108.556 . 1 811 202 72 PRO HA H 4.268 . 1 812 202 72 PRO HB2 H 2.225 . 1 813 202 72 PRO HB3 H 1.832 . 1 814 202 72 PRO HG2 H 2.586 . 1 815 202 72 PRO HG3 H 1.966 . 1 816 202 72 PRO HD2 H 3.937 . 2 817 202 72 PRO HD3 H 3.937 . 2 818 202 72 PRO C C 176.102 . 1 819 202 72 PRO CA C 62.297 . 1 820 202 72 PRO CB C 31.613 . 1 821 202 72 PRO CG C 27.492 . 1 822 202 72 PRO CD C 49.911 . 1 823 203 73 PHE H H 9.819 . 1 824 203 73 PHE HA H 3.931 . 1 825 203 73 PHE HB2 H 3.218 . 1 826 203 73 PHE HB3 H 3.060 . 1 827 203 73 PHE HD1 H 7.357 . 3 828 203 73 PHE HD2 H 7.357 . 3 829 203 73 PHE HE1 H 7.432 . 3 830 203 73 PHE HE2 H 7.432 . 3 831 203 73 PHE HZ H 7.462 . 1 832 203 73 PHE CA C 61.792 . 1 833 203 73 PHE CB C 38.986 . 1 834 203 73 PHE CD1 C 131.066 . 3 835 203 73 PHE CD2 C 131.066 . 3 836 203 73 PHE CE1 C 130.011 . 3 837 203 73 PHE CE2 C 130.011 . 3 838 203 73 PHE CZ C 129.038 . 1 839 203 73 PHE N N 122.658 . 1 840 205 75 PRO HA H 4.102 . 1 841 205 75 PRO HB2 H 2.543 . 1 842 205 75 PRO HB3 H 2.109 . 1 843 205 75 PRO HG2 H 2.198 . 1 844 205 75 PRO HG3 H 1.958 . 1 845 205 75 PRO HD2 H 4.042 . 1 846 205 75 PRO HD3 H 3.496 . 1 847 205 75 PRO C C 176.293 . 1 848 205 75 PRO CA C 64.059 . 1 849 205 75 PRO CB C 32.597 . 1 850 205 75 PRO CG C 26.571 . 1 851 205 75 PRO CD C 51.506 . 1 852 206 76 ASN H H 8.388 . 1 853 206 76 ASN HA H 4.818 . 1 854 206 76 ASN HB2 H 2.965 . 1 855 206 76 ASN HB3 H 2.728 . 1 856 206 76 ASN HD21 H 7.990 . 1 857 206 76 ASN HD22 H 7.122 . 1 858 206 76 ASN C C 173.717 . 1 859 206 76 ASN CA C 53.041 . 1 860 206 76 ASN CB C 39.323 . 1 861 206 76 ASN N N 115.479 . 1 862 206 76 ASN ND2 N 115.180 . 1 863 207 77 ASN H H 7.207 . 1 864 207 77 ASN HA H 5.284 . 1 865 207 77 ASN HB2 H 2.963 . 1 866 207 77 ASN HB3 H 2.501 . 1 867 207 77 ASN HD21 H 8.112 . 1 868 207 77 ASN HD22 H 6.967 . 1 869 207 77 ASN CA C 49.186 . 1 870 207 77 ASN CB C 39.307 . 1 871 207 77 ASN N N 116.975 . 1 872 207 77 ASN ND2 N 111.940 . 1 873 208 78 PRO HA H 4.427 . 1 874 208 78 PRO HB2 H 2.529 . 1 875 208 78 PRO HB3 H 1.918 . 1 876 208 78 PRO HG2 H 2.141 . 2 877 208 78 PRO HG3 H 2.141 . 2 878 208 78 PRO HD2 H 4.037 . 2 879 208 78 PRO HD3 H 4.037 . 2 880 208 78 PRO C C 179.058 . 1 881 208 78 PRO CA C 64.629 . 1 882 208 78 PRO CB C 32.868 . 1 883 208 78 PRO CG C 27.097 . 1 884 208 78 PRO CD C 51.491 . 1 885 209 79 LYS H H 7.980 . 1 886 209 79 LYS HA H 4.268 . 1 887 209 79 LYS HB2 H 2.061 . 1 888 209 79 LYS HB3 H 1.877 . 1 889 209 79 LYS HG2 H 1.640 . 1 890 209 79 LYS HG3 H 1.428 . 1 891 209 79 LYS HD2 H 1.754 . 2 892 209 79 LYS HD3 H 1.754 . 2 893 209 79 LYS HE2 H 3.129 . 2 894 209 79 LYS HE3 H 3.129 . 2 895 209 79 LYS C C 177.368 . 1 896 209 79 LYS CA C 56.421 . 1 897 209 79 LYS CB C 31.612 . 1 898 209 79 LYS CG C 25.736 . 1 899 209 79 LYS CD C 28.853 . 1 900 209 79 LYS CE C 42.389 . 1 901 209 79 LYS N N 113.016 . 1 902 210 80 ARG H H 7.765 . 1 903 210 80 ARG HA H 6.595 . 1 904 210 80 ARG HB2 H 2.489 . 1 905 210 80 ARG HB3 H 1.759 . 1 906 210 80 ARG HG2 H 1.886 . 1 907 210 80 ARG HG3 H 1.705 . 1 908 210 80 ARG HD2 H 3.404 . 1 909 210 80 ARG HD3 H 3.033 . 1 910 210 80 ARG C C 173.571 . 1 911 210 80 ARG CA C 56.093 . 1 912 210 80 ARG CB C 31.452 . 1 913 210 80 ARG CG C 28.736 . 1 914 210 80 ARG CD C 45.301 . 1 915 210 80 ARG N N 118.465 . 1 916 211 81 ALA H H 6.768 . 1 917 211 81 ALA HA H 5.106 . 1 918 211 81 ALA HB H 1.576 . 1 919 211 81 ALA C C 172.415 . 1 920 211 81 ALA CA C 50.775 . 1 921 211 81 ALA CB C 20.132 . 1 922 211 81 ALA N N 122.958 . 1 923 212 82 TRP H H 7.228 . 1 924 212 82 TRP HA H 4.869 . 1 925 212 82 TRP HB2 H 2.944 . 2 926 212 82 TRP HB3 H 2.944 . 2 927 212 82 TRP HD1 H 7.382 . 1 928 212 82 TRP HE1 H 9.143 . 1 929 212 82 TRP HZ2 H 7.006 . 1 930 212 82 TRP HZ3 H 7.179 . 1 931 212 82 TRP HH2 H 6.813 . 1 932 212 82 TRP C C 174.383 . 1 933 212 82 TRP CA C 55.829 . 1 934 212 82 TRP CB C 30.980 . 1 935 212 82 TRP CD1 C 128.796 . 1 936 212 82 TRP CZ2 C 111.821 . 1 937 212 82 TRP CZ3 C 119.478 . 1 938 212 82 TRP CH2 C 123.475 . 1 939 212 82 TRP N N 127.035 . 1 940 212 82 TRP NE1 N 126.236 . 1 941 213 83 ILE H H 9.573 . 1 942 213 83 ILE HA H 5.144 . 1 943 213 83 ILE HB H 2.066 . 1 944 213 83 ILE HG12 H 1.247 . 1 945 213 83 ILE HG13 H 1.247 . 1 946 213 83 ILE HG2 H 0.868 . 1 947 213 83 ILE HD1 H 0.862 . 1 948 213 83 ILE C C 174.998 . 1 949 213 83 ILE CA C 58.456 . 1 950 213 83 ILE CB C 42.096 . 1 951 213 83 ILE CG1 C 26.044 . 1 952 213 83 ILE CG2 C 18.815 . 1 953 213 83 ILE CD1 C 14.088 . 1 954 213 83 ILE N N 115.140 . 1 955 214 84 VAL H H 8.985 . 1 956 214 84 VAL HA H 4.312 . 1 957 214 84 VAL HB H 2.053 . 1 958 214 84 VAL HG1 H 0.844 . 2 959 214 84 VAL HG2 H 0.844 . 2 960 214 84 VAL C C 176.552 . 1 961 214 84 VAL CA C 62.769 . 1 962 214 84 VAL CB C 32.081 . 1 963 214 84 VAL CG1 C 21.317 . 2 964 214 84 VAL CG2 C 21.317 . 2 965 214 84 VAL N N 121.079 . 1 966 215 85 SER H H 8.863 . 1 967 215 85 SER HA H 4.839 . 1 968 215 85 SER HB2 H 3.835 . 1 969 215 85 SER HB3 H 3.372 . 1 970 215 85 SER C C 175.261 . 1 971 215 85 SER CA C 55.733 . 1 972 215 85 SER CB C 62.587 . 1 973 215 85 SER N N 123.142 . 1 974 216 86 GLY H H 9.401 . 1 975 216 86 GLY HA2 H 4.190 . 1 976 216 86 GLY HA3 H 3.760 . 1 977 216 86 GLY C C 174.105 . 1 978 216 86 GLY CA C 47.944 . 1 979 216 86 GLY N N 120.029 . 1 980 217 87 ASN H H 8.867 . 1 981 217 87 ASN HA H 5.265 . 1 982 217 87 ASN HB2 H 3.221 . 2 983 217 87 ASN HB3 H 3.221 . 2 984 217 87 ASN HD21 H 8.081 . 1 985 217 87 ASN HD22 H 7.090 . 1 986 217 87 ASN C C 173.790 . 1 987 217 87 ASN CA C 53.084 . 1 988 217 87 ASN CB C 38.949 . 1 989 217 87 ASN N N 126.640 . 1 990 217 87 ASN ND2 N 111.163 . 1 991 218 88 THR H H 8.053 . 1 992 218 88 THR HA H 5.157 . 1 993 218 88 THR HB H 4.471 . 1 994 218 88 THR HG2 H 1.451 . 1 995 218 88 THR C C 172.415 . 1 996 218 88 THR CA C 59.979 . 1 997 218 88 THR CB C 73.012 . 1 998 218 88 THR CG2 C 22.590 . 1 999 218 88 THR N N 109.679 . 1 1000 219 89 ILE H H 9.233 . 1 1001 219 89 ILE HA H 5.100 . 1 1002 219 89 ILE HB H 1.702 . 1 1003 219 89 ILE HG12 H 1.199 . 1 1004 219 89 ILE HG13 H 1.199 . 1 1005 219 89 ILE HG2 H 0.790 . 1 1006 219 89 ILE HD1 H 0.526 . 1 1007 219 89 ILE C C 174.646 . 1 1008 219 89 ILE CA C 58.662 . 1 1009 219 89 ILE CB C 35.219 . 1 1010 219 89 ILE CG1 C 26.571 . 1 1011 219 89 ILE CG2 C 18.654 . 1 1012 219 89 ILE CD1 C 9.707 . 1 1013 219 89 ILE N N 123.399 . 1 1014 220 90 ALA H H 8.976 . 1 1015 220 90 ALA HA H 5.607 . 1 1016 220 90 ALA HB H 1.455 . 1 1017 220 90 ALA C C 175.093 . 1 1018 220 90 ALA CA C 50.148 . 1 1019 220 90 ALA CB C 24.474 . 1 1020 220 90 ALA N N 128.279 . 1 1021 221 91 GLN H H 8.158 . 1 1022 221 91 GLN HA H 3.016 . 1 1023 221 91 GLN HB2 H 2.121 . 1 1024 221 91 GLN HB3 H 1.462 . 1 1025 221 91 GLN HG2 H 1.867 . 1 1026 221 91 GLN HG3 H 1.498 . 1 1027 221 91 GLN HE21 H 7.143 . 1 1028 221 91 GLN HE22 H 6.533 . 1 1029 221 91 GLN C C 177.990 . 1 1030 221 91 GLN CA C 55.695 . 1 1031 221 91 GLN CB C 27.984 . 1 1032 221 91 GLN CG C 33.858 . 1 1033 221 91 GLN N N 125.313 . 1 1034 221 91 GLN NE2 N 110.120 . 1 1035 222 92 LEU H H 8.452 . 1 1036 222 92 LEU HA H 3.721 . 1 1037 222 92 LEU HB2 H 1.976 . 1 1038 222 92 LEU HB3 H 1.251 . 1 1039 222 92 LEU HG H 1.607 . 1 1040 222 92 LEU HD1 H 0.942 . 2 1041 222 92 LEU HD2 H 0.942 . 2 1042 222 92 LEU C C 178.839 . 1 1043 222 92 LEU CA C 59.714 . 1 1044 222 92 LEU CB C 42.573 . 1 1045 222 92 LEU CG C 27.170 . 1 1046 222 92 LEU CD1 C 25.605 . 1 1047 222 92 LEU CD2 C 24.434 . 1 1048 222 92 LEU N N 130.160 . 1 1049 223 93 SER H H 8.345 . 1 1050 223 93 SER HA H 4.410 . 1 1051 223 93 SER HB2 H 3.844 . 2 1052 223 93 SER HB3 H 3.844 . 2 1053 223 93 SER C C 174.259 . 1 1054 223 93 SER CA C 58.645 . 1 1055 223 93 SER CB C 63.906 . 1 1056 223 93 SER N N 108.212 . 1 1057 224 94 ASP H H 7.350 . 1 1058 224 94 ASP HA H 4.655 . 1 1059 224 94 ASP HB2 H 2.619 . 2 1060 224 94 ASP HB3 H 2.619 . 2 1061 224 94 ASP C C 174.559 . 1 1062 224 94 ASP CA C 54.202 . 1 1063 224 94 ASP CB C 40.494 . 1 1064 224 94 ASP N N 120.677 . 1 1065 225 95 ARG H H 8.675 . 1 1066 225 95 ARG HA H 4.224 . 1 1067 225 95 ARG HB2 H 1.868 . 2 1068 225 95 ARG HB3 H 1.868 . 2 1069 225 95 ARG HG2 H 1.661 . 2 1070 225 95 ARG HG3 H 1.661 . 2 1071 225 95 ARG HD2 H 3.319 . 1 1072 225 95 ARG HD3 H 3.131 . 1 1073 225 95 ARG C C 175.407 . 1 1074 225 95 ARG CA C 57.339 . 1 1075 225 95 ARG CB C 29.109 . 1 1076 225 95 ARG CG C 27.331 . 1 1077 225 95 ARG CD C 42.580 . 1 1078 225 95 ARG N N 121.515 . 1 1079 226 96 ASP H H 7.676 . 1 1080 226 96 ASP HA H 4.816 . 1 1081 226 96 ASP HB2 H 2.937 . 1 1082 226 96 ASP HB3 H 2.713 . 1 1083 226 96 ASP C C 174.427 . 1 1084 226 96 ASP CA C 54.793 . 1 1085 226 96 ASP CB C 42.073 . 1 1086 226 96 ASP N N 115.056 . 1 1087 227 97 ASN H H 8.317 . 1 1088 227 97 ASN HA H 4.979 . 1 1089 227 97 ASN HB2 H 3.245 . 1 1090 227 97 ASN HB3 H 2.499 . 1 1091 227 97 ASN HD21 H 7.650 . 1 1092 227 97 ASN HD22 H 6.847 . 1 1093 227 97 ASN C C 173.205 . 1 1094 227 97 ASN CA C 53.059 . 1 1095 227 97 ASN CB C 39.751 . 1 1096 227 97 ASN N N 122.904 . 1 1097 227 97 ASN ND2 N 110.880 . 1 1098 228 98 VAL H H 8.419 . 1 1099 228 98 VAL HA H 6.025 . 1 1100 228 98 VAL HB H 2.953 . 1 1101 228 98 VAL HG1 H 0.821 . 1 1102 228 98 VAL HG2 H 1.033 . 1 1103 228 98 VAL C C 176.015 . 1 1104 228 98 VAL CA C 58.255 . 1 1105 228 98 VAL CB C 35.103 . 1 1106 228 98 VAL CG1 C 21.910 . 1 1107 228 98 VAL CG2 C 19.920 . 1 1108 228 98 VAL N N 115.524 . 1 1109 229 99 LEU H H 8.619 . 1 1110 229 99 LEU HA H 4.854 . 1 1111 229 99 LEU HB2 H 1.513 . 1 1112 229 99 LEU HB3 H 1.009 . 1 1113 229 99 LEU HG H 1.329 . 1 1114 229 99 LEU HD1 H 0.091 . 1 1115 229 99 LEU HD2 H -0.267 . 1 1116 229 99 LEU C C 178.210 . 1 1117 229 99 LEU CA C 54.165 . 1 1118 229 99 LEU CB C 42.507 . 1 1119 229 99 LEU CG C 25.546 . 1 1120 229 99 LEU CD1 C 21.478 . 2 1121 229 99 LEU CD2 C 21.478 . 2 1122 229 99 LEU N N 117.769 . 1 1123 230 100 GLY H H 8.980 . 1 1124 230 100 GLY HA2 H 4.983 . 1 1125 230 100 GLY HA3 H 3.704 . 1 1126 230 100 GLY C C 171.764 . 1 1127 230 100 GLY CA C 46.607 . 1 1128 230 100 GLY N N 104.276 . 1 1129 231 101 VAL H H 8.372 . 1 1130 231 101 VAL HA H 4.684 . 1 1131 231 101 VAL HB H 2.003 . 1 1132 231 101 VAL HG1 H 1.152 . 1 1133 231 101 VAL HG2 H 1.063 . 1 1134 231 101 VAL C C 175.502 . 1 1135 231 101 VAL CA C 62.121 . 1 1136 231 101 VAL CB C 34.083 . 1 1137 231 101 VAL CG1 C 22.093 . 1 1138 231 101 VAL N N 120.118 . 1 1139 232 102 ILE H H 8.943 . 1 1140 232 102 ILE HA H 4.321 . 1 1141 232 102 ILE HB H 1.580 . 1 1142 232 102 ILE HG12 H 1.445 . 1 1143 232 102 ILE HG13 H 1.165 . 1 1144 232 102 ILE HG2 H 0.866 . 1 1145 232 102 ILE HD1 H 0.613 . 1 1146 232 102 ILE C C 174.983 . 1 1147 232 102 ILE CA C 59.873 . 1 1148 232 102 ILE CB C 39.283 . 1 1149 232 102 ILE CG1 C 27.492 . 1 1150 232 102 ILE CG2 C 17.556 . 1 1151 232 102 ILE CD1 C 12.552 . 1 1152 232 102 ILE N N 127.642 . 1 1153 233 103 LYS H H 8.467 . 1 1154 233 103 LYS HA H 4.434 . 1 1155 233 103 LYS HB2 H 2.038 . 2 1156 233 103 LYS HB3 H 2.038 . 2 1157 233 103 LYS HG2 H 1.550 . 2 1158 233 103 LYS HG3 H 1.550 . 2 1159 233 103 LYS HD2 H 1.825 . 2 1160 233 103 LYS HD3 H 1.825 . 2 1161 233 103 LYS HE2 H 3.099 . 2 1162 233 103 LYS HE3 H 3.099 . 2 1163 233 103 LYS C C 176.263 . 1 1164 233 103 LYS CA C 56.634 . 1 1165 233 103 LYS CB C 33.413 . 1 1166 233 103 LYS CG C 24.961 . 1 1167 233 103 LYS CD C 29.029 . 1 1168 233 103 LYS CE C 42.097 . 1 1169 233 103 LYS N N 125.942 . 1 1170 234 104 SER H H 8.652 . 1 1171 234 104 SER HA H 4.644 . 1 1172 234 104 SER HB2 H 3.998 . 1 1173 234 104 SER HB3 H 3.887 . 1 1174 234 104 SER C C 174.624 . 1 1175 234 104 SER CA C 57.760 . 1 1176 234 104 SER CB C 64.655 . 1 1177 234 104 SER N N 118.453 . 1 1178 235 105 ASP H H 8.726 . 1 1179 235 105 ASP HA H 4.709 . 1 1180 235 105 ASP HB2 H 2.840 . 2 1181 235 105 ASP HB3 H 2.840 . 2 1182 235 105 ASP C C 176.574 . 1 1183 235 105 ASP CA C 55.099 . 1 1184 235 105 ASP CB C 41.320 . 1 1185 235 105 ASP N N 123.348 . 1 1186 236 106 LYS H H 8.575 . 1 1187 236 106 LYS HA H 4.423 . 1 1188 236 106 LYS HB2 H 2.038 . 1 1189 236 106 LYS HB3 H 1.855 . 1 1190 236 106 LYS HG2 H 1.534 . 2 1191 236 106 LYS HG3 H 1.534 . 2 1192 236 106 LYS HD2 H 1.803 . 2 1193 236 106 LYS HD3 H 1.803 . 2 1194 236 106 LYS HE2 H 3.115 . 2 1195 236 106 LYS HE3 H 3.115 . 2 1196 236 106 LYS C C 177.083 . 1 1197 236 106 LYS CA C 56.688 . 1 1198 236 106 LYS CB C 32.627 . 1 1199 236 106 LYS CG C 24.814 . 1 1200 236 106 LYS CD C 29.468 . 1 1201 236 106 LYS CE C 42.214 . 1 1202 236 106 LYS N N 119.176 . 1 1203 237 107 GLY H H 8.423 . 1 1204 237 107 GLY HA2 H 4.143 . 1 1205 237 107 GLY HA3 H 4.011 . 1 1206 237 107 GLY C C 173.863 . 1 1207 237 107 GLY CA C 45.600 . 1 1208 237 107 GLY N N 109.182 . 1 1209 238 108 ALA H H 8.121 . 1 1210 238 108 ALA HA H 4.569 . 1 1211 238 108 ALA HB H 1.585 . 1 1212 238 108 ALA C C 177.515 . 1 1213 238 108 ALA CA C 52.334 . 1 1214 238 108 ALA CB C 20.131 . 1 1215 238 108 ALA N N 123.003 . 1 1216 239 109 SER H H 8.392 . 1 1217 239 109 SER HA H 4.738 . 1 1218 239 109 SER HB2 H 4.151 . 2 1219 239 109 SER HB3 H 4.151 . 2 1220 239 109 SER C C 173.710 . 1 1221 239 109 SER CA C 58.476 . 1 1222 239 109 SER CB C 64.548 . 1 1223 239 109 SER N N 114.645 . 1 1224 240 110 ALA H H 8.713 . 1 1225 240 110 ALA HA H 4.789 . 1 1226 240 110 ALA HB H 1.531 . 1 1227 240 110 ALA C C 176.600 . 1 1228 240 110 ALA CA C 52.547 . 1 1229 240 110 ALA CB C 20.646 . 1 1230 240 110 ALA N N 126.848 . 1 1231 241 111 HIS H H 8.548 . 1 1232 241 111 HIS HA H 5.247 . 1 1233 241 111 HIS HB2 H 3.384 . 2 1234 241 111 HIS HB3 H 3.384 . 2 1235 241 111 HIS HD2 H 7.212 . 1 1236 241 111 HIS HE1 H 8.220 . 1 1237 241 111 HIS C C 172.795 . 1 1238 241 111 HIS CA C 55.522 . 1 1239 241 111 HIS CB C 32.367 . 1 1240 241 111 HIS CD2 C 120.220 . 1 1241 241 111 HIS CE1 C 137.619 . 1 1242 241 111 HIS N N 117.668 . 1 1243 242 112 ILE H H 8.558 . 1 1244 242 112 ILE HA H 5.452 . 1 1245 242 112 ILE HB H 1.884 . 1 1246 242 112 ILE HG12 H 1.569 . 1 1247 242 112 ILE HG13 H 1.405 . 1 1248 242 112 ILE HG2 H 0.961 . 1 1249 242 112 ILE HD1 H 0.918 . 1 1250 242 112 ILE C C 174.932 . 1 1251 242 112 ILE CA C 59.365 . 1 1252 242 112 ILE CB C 39.791 . 1 1253 242 112 ILE CG1 C 28.327 . 1 1254 242 112 ILE CG2 C 19.854 . 1 1255 242 112 ILE CD1 C 14.439 . 1 1256 242 112 ILE N N 119.768 . 1 1257 243 113 CYS H H 8.956 . 1 1258 243 113 CYS HA H 5.166 . 1 1259 243 113 CYS HB2 H 3.373 . 1 1260 243 113 CYS HB3 H 2.953 . 1 1261 243 113 CYS C C 171.486 . 1 1262 243 113 CYS CA C 56.425 . 1 1263 243 113 CYS CB C 32.619 . 1 1264 243 113 CYS N N 123.212 . 1 1265 244 114 ALA H H 8.929 . 1 1266 244 114 ALA HA H 5.490 . 1 1267 244 114 ALA HB H 1.408 . 1 1268 244 114 ALA C C 177.354 . 1 1269 244 114 ALA CA C 51.202 . 1 1270 244 114 ALA CB C 22.139 . 1 1271 244 114 ALA N N 123.742 . 1 1272 245 115 TRP H H 9.371 . 1 1273 245 115 TRP HA H 4.986 . 1 1274 245 115 TRP HB2 H 3.626 . 1 1275 245 115 TRP HB3 H 3.524 . 1 1276 245 115 TRP HD1 H 7.509 . 1 1277 245 115 TRP HE1 H 9.992 . 1 1278 245 115 TRP HZ2 H 7.410 . 1 1279 245 115 TRP HH2 H 6.953 . 1 1280 245 115 TRP C C 173.682 . 1 1281 245 115 TRP CA C 57.281 . 1 1282 245 115 TRP CB C 31.087 . 1 1283 245 115 TRP CD1 C 129.829 . 1 1284 245 115 TRP CZ2 C 114.009 . 1 1285 245 115 TRP CH2 C 123.881 . 1 1286 245 115 TRP N N 123.817 . 1 1287 245 115 TRP NE1 N 129.005 . 1 1288 246 116 LYS H H 7.976 . 1 1289 246 116 LYS HA H 4.870 . 1 1290 246 116 LYS HB2 H 1.946 . 2 1291 246 116 LYS HB3 H 1.946 . 2 1292 246 116 LYS HG2 H 1.604 . 2 1293 246 116 LYS HG3 H 1.604 . 2 1294 246 116 LYS HD2 H 1.806 . 2 1295 246 116 LYS HD3 H 1.806 . 2 1296 246 116 LYS HE2 H 3.069 . 2 1297 246 116 LYS HE3 H 3.069 . 2 1298 246 116 LYS C C 178.649 . 1 1299 246 116 LYS CA C 56.555 . 1 1300 246 116 LYS CB C 33.052 . 1 1301 246 116 LYS CE C 42.243 . 1 1302 246 116 LYS N N 119.453 . 1 1303 247 117 GLN H H 8.995 . 1 1304 247 117 GLN HA H 4.095 . 1 1305 247 117 GLN HB2 H 2.188 . 2 1306 247 117 GLN HB3 H 2.188 . 2 1307 247 117 GLN HG2 H 2.617 . 2 1308 247 117 GLN HG3 H 2.617 . 2 1309 247 117 GLN HE21 H 7.990 . 1 1310 247 117 GLN HE22 H 6.794 . 1 1311 247 117 GLN C C 176.410 . 1 1312 247 117 GLN CA C 57.225 . 1 1313 247 117 GLN CB C 30.117 . 1 1314 247 117 GLN CG C 34.121 . 1 1315 247 117 GLN N N 125.710 . 1 1316 247 117 GLN NE2 N 110.861 . 1 1317 248 118 HIS H H 9.685 . 1 1318 248 118 HIS HA H 4.986 . 1 1319 248 118 HIS HB2 H 3.599 . 1 1320 248 118 HIS HB3 H 3.376 . 1 1321 248 118 HIS HD2 H 7.484 . 1 1322 248 118 HIS HE1 H 8.432 . 1 1323 248 118 HIS C C 177.314 . 1 1324 248 118 HIS CA C 56.043 . 1 1325 248 118 HIS CB C 31.099 . 1 1326 248 118 HIS CD2 C 121.633 . 1 1327 248 118 HIS CE1 C 137.619 . 1 1328 248 118 HIS N N 126.997 . 1 1329 249 119 GLY H H 9.329 . 1 1330 249 119 GLY HA2 H 4.256 . 1 1331 249 119 GLY HA3 H 3.861 . 1 1332 249 119 GLY C C 174.924 . 1 1333 249 119 GLY CA C 46.618 . 1 1334 249 119 GLY N N 110.181 . 1 1335 250 120 GLY H H 9.185 . 1 1336 250 120 GLY HA2 H 4.646 . 1 1337 250 120 GLY HA3 H 4.035 . 1 1338 250 120 GLY CA C 44.629 . 1 1339 250 120 GLY N N 109.581 . 1 1340 251 121 PRO HA H 4.224 . 1 1341 251 121 PRO HB2 H 2.466 . 1 1342 251 121 PRO HB3 H 1.855 . 1 1343 251 121 PRO HG2 H 2.183 . 2 1344 251 121 PRO HG3 H 2.183 . 2 1345 251 121 PRO HD2 H 3.912 . 2 1346 251 121 PRO HD3 H 3.912 . 2 1347 251 121 PRO C C 177.112 . 1 1348 251 121 PRO CA C 65.106 . 1 1349 251 121 PRO CB C 32.130 . 1 1350 251 121 PRO CG C 27.434 . 1 1351 251 121 PRO CD C 50.262 . 1 1352 252 122 ASN H H 8.509 . 1 1353 252 122 ASN HA H 4.302 . 1 1354 252 122 ASN HB2 H 3.715 . 1 1355 252 122 ASN HB3 H 3.171 . 1 1356 252 122 ASN HD21 H 8.026 . 1 1357 252 122 ASN HD22 H 7.424 . 1 1358 252 122 ASN C C 176.417 . 1 1359 252 122 ASN CA C 55.856 . 1 1360 252 122 ASN CB C 36.505 . 1 1361 252 122 ASN N N 113.107 . 1 1362 252 122 ASN ND2 N 111.822 . 1 1363 253 123 GLN H H 7.643 . 1 1364 253 123 GLN HA H 5.069 . 1 1365 253 123 GLN HB2 H 2.530 . 1 1366 253 123 GLN HB3 H 1.906 . 1 1367 253 123 GLN HG2 H 1.822 . 2 1368 253 123 GLN HG3 H 1.822 . 2 1369 253 123 GLN C C 174.346 . 1 1370 253 123 GLN CA C 55.318 . 1 1371 253 123 GLN CB C 30.269 . 1 1372 253 123 GLN CG C 35.014 . 1 1373 253 123 GLN N N 119.357 . 1 1374 254 124 LYS H H 7.197 . 1 1375 254 124 LYS HA H 5.266 . 1 1376 254 124 LYS HB2 H 1.820 . 2 1377 254 124 LYS HB3 H 1.820 . 2 1378 254 124 LYS HG2 H 1.259 . 2 1379 254 124 LYS HG3 H 1.259 . 2 1380 254 124 LYS HD2 H 1.610 . 2 1381 254 124 LYS HD3 H 1.610 . 2 1382 254 124 LYS HE2 H 2.897 . 2 1383 254 124 LYS HE3 H 2.897 . 2 1384 254 124 LYS C C 175.824 . 1 1385 254 124 LYS CA C 55.446 . 1 1386 254 124 LYS CB C 35.155 . 1 1387 254 124 LYS CG C 25.341 . 1 1388 254 124 LYS CD C 29.687 . 1 1389 254 124 LYS CE C 42.258 . 1 1390 254 124 LYS N N 119.598 . 1 1391 255 125 PHE H H 9.334 . 1 1392 255 125 PHE HA H 5.398 . 1 1393 255 125 PHE HB2 H 2.897 . 1 1394 255 125 PHE HB3 H 2.366 . 1 1395 255 125 PHE HD1 H 7.069 . 3 1396 255 125 PHE HD2 H 7.069 . 3 1397 255 125 PHE HE1 H 7.121 . 3 1398 255 125 PHE HE2 H 7.121 . 3 1399 255 125 PHE HZ H 6.827 . 1 1400 255 125 PHE C C 173.922 . 1 1401 255 125 PHE CA C 57.050 . 1 1402 255 125 PHE CB C 44.398 . 1 1403 255 125 PHE CD1 C 132.490 . 3 1404 255 125 PHE CD2 C 132.490 . 3 1405 255 125 PHE CE1 C 130.428 . 3 1406 255 125 PHE CE2 C 130.428 . 3 1407 255 125 PHE CZ C 127.867 . 1 1408 255 125 PHE N N 123.203 . 1 1409 256 126 ILE H H 9.875 . 1 1410 256 126 ILE HA H 4.439 . 1 1411 256 126 ILE HB H 1.817 . 1 1412 256 126 ILE HG12 H 1.588 . 1 1413 256 126 ILE HG13 H 1.222 . 1 1414 256 126 ILE HG2 H 1.039 . 1 1415 256 126 ILE HD1 H 0.996 . 1 1416 256 126 ILE C C 174.566 . 1 1417 256 126 ILE CA C 59.900 . 1 1418 256 126 ILE CB C 41.958 . 1 1419 256 126 ILE CG1 C 27.975 . 1 1420 256 126 ILE CG2 C 18.127 . 1 1421 256 126 ILE CD1 C 14.322 . 1 1422 256 126 ILE N N 120.806 . 1 1423 257 127 ILE H H 8.650 . 1 1424 257 127 ILE HA H 5.051 . 1 1425 257 127 ILE HB H 2.062 . 1 1426 257 127 ILE HG12 H 1.628 . 1 1427 257 127 ILE HG13 H 1.246 . 1 1428 257 127 ILE HG2 H 0.519 . 1 1429 257 127 ILE HD1 H 0.565 . 1 1430 257 127 ILE C C 176.366 . 1 1431 257 127 ILE CA C 58.337 . 1 1432 257 127 ILE CB C 35.953 . 1 1433 257 127 ILE CG1 C 26.790 . 1 1434 257 127 ILE CG2 C 17.688 . 1 1435 257 127 ILE CD1 C 10.797 . 1 1436 257 127 ILE N N 126.388 . 1 1437 258 128 GLU H H 8.612 . 1 1438 258 128 GLU HA H 5.010 . 1 1439 258 128 GLU HB2 H 2.137 . 2 1440 258 128 GLU HB3 H 2.137 . 2 1441 258 128 GLU HG2 H 2.409 . 1 1442 258 128 GLU C C 175.276 . 1 1443 258 128 GLU CA C 54.435 . 1 1444 258 128 GLU CB C 34.257 . 1 1445 258 128 GLU CG C 36.521 . 1 1446 258 128 GLU N N 128.569 . 1 1447 259 129 SER H H 9.222 . 1 1448 259 129 SER HA H 4.725 . 1 1449 259 129 SER HB2 H 4.205 . 2 1450 259 129 SER HB3 H 4.205 . 2 1451 259 129 SER C C 174.281 . 1 1452 259 129 SER CA C 60.272 . 1 1453 259 129 SER CB C 64.134 . 1 1454 259 129 SER N N 122.151 . 1 1455 260 130 GLU H H 8.350 . 1 1456 260 130 GLU HA H 4.256 . 1 1457 260 130 GLU HB2 H 2.060 . 2 1458 260 130 GLU HB3 H 2.060 . 2 1459 260 130 GLU HG2 H 2.542 . 1 1460 260 130 GLU HG3 H 2.359 . 1 1461 260 130 GLU CA C 60.103 . 1 1462 260 130 GLU CB C 30.472 . 1 1463 260 130 GLU N N 129.245 . 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 HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' 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 174.218 . 1 2 260 130 GLU H H 8.299 . 1 3 260 130 GLU HA H 4.258 . 1 4 260 130 GLU CA C 60.117 . 1 5 260 130 GLU CB C 30.474 . 1 6 260 130 GLU N N 129.629 . 1 stop_ save_