data_50011 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; rsFolder_off ; _BMRB_accession_number 50011 _BMRB_flat_file_name bmr50011.str _Entry_type original _Submission_date 2019-09-10 _Accession_date 2019-09-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'rsFolder non-fluorescent "off"state' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Christou Nina-Eleni . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 291 "13C chemical shifts" 671 "15N chemical shifts" 201 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-25 update BMRB 'update entry citation' 2019-09-11 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 50010 'rsFolder on state' stop_ _Original_release_date 2019-09-10 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Reveals Light-Induced Changes in the Dynamics of a Photoswitchable Fluorescent Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31733726 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Christou Nina-Eleni E. . 2 Ayala Isabel . . 3 Giandoreggio-Barranco Karine . . 4 Byrdin Martin . . 5 Adam Virgile . . 6 Bourgeois Dominique . . 7 Brutscher Bernhard . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume 117 _Journal_issue 11 _Journal_ISSN 1542-0086 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2087 _Page_last 2100 _Year 2019 _Details 'rsFolder off state' save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name rsFolder _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rsFolder $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; PIA is the modified amino acid group of AYG that make up the chromophore of rsFolder. Modified aminoacid residues within the sequence: 66A-67Y-68G (or 89A-90Y-91G with Histag enumeration). Blue photon absorption and consequent green photon emission in the fluorescent "on" state. In the non-fluorescent "off", it is not fluorescent anymore and does not absorb blue photons. ; save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details 'AYG = PIA (modified aminoacid)' ############################## # Polymer residue sequence # ############################## _Residue_count 249 _Mol_residue_sequence ; GSHMATMVSKGEELFTGVVP ILVELDGDVNGHKFSVRGEG EGDATNGKLTLKFICTTGKL PVPWPTLVTTLAYGVLCFSR YPDHMKRHDFFKSAMPEGYV QERTISFKDDGTYKTRAEVK FEGDTLVNRIELKGIDFKED GNILGHKLEYNFNSHNVYIT ADKQKNGIKSNFKIRHNVED GSVQLADHYQQNTPIGDGPV LLPDNHYLSTQSKLSKDPNE KRDHMVLLEFVTAAGITHGM DELYKGSHGC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 GLY 2 -5 SER 3 -4 HIS 4 -3 MET 5 -2 ALA 6 -1 THR 7 1 MET 8 2 VAL 9 3 SER 10 4 LYS 11 5 GLY 12 6 GLU 13 7 GLU 14 8 LEU 15 9 PHE 16 10 THR 17 11 GLY 18 12 VAL 19 13 VAL 20 14 PRO 21 15 ILE 22 16 LEU 23 17 VAL 24 18 GLU 25 19 LEU 26 20 ASP 27 21 GLY 28 22 ASP 29 23 VAL 30 24 ASN 31 25 GLY 32 26 HIS 33 27 LYS 34 28 PHE 35 29 SER 36 30 VAL 37 31 ARG 38 32 GLY 39 33 GLU 40 34 GLY 41 35 GLU 42 36 GLY 43 37 ASP 44 38 ALA 45 39 THR 46 40 ASN 47 41 GLY 48 42 LYS 49 43 LEU 50 44 THR 51 45 LEU 52 46 LYS 53 47 PHE 54 48 ILE 55 49 CYS 56 50 THR 57 51 THR 58 52 GLY 59 53 LYS 60 54 LEU 61 55 PRO 62 56 VAL 63 57 PRO 64 58 TRP 65 59 PRO 66 60 THR 67 61 LEU 68 62 VAL 69 63 THR 70 64 THR 71 65 LEU 72 66 ALA 73 67 TYR 74 68 GLY 75 69 VAL 76 70 LEU 77 71 CYS 78 72 PHE 79 73 SER 80 74 ARG 81 75 TYR 82 76 PRO 83 77 ASP 84 78 HIS 85 79 MET 86 80 LYS 87 81 ARG 88 82 HIS 89 83 ASP 90 84 PHE 91 85 PHE 92 86 LYS 93 87 SER 94 88 ALA 95 89 MET 96 90 PRO 97 91 GLU 98 92 GLY 99 93 TYR 100 94 VAL 101 95 GLN 102 96 GLU 103 97 ARG 104 98 THR 105 99 ILE 106 100 SER 107 101 PHE 108 102 LYS 109 103 ASP 110 104 ASP 111 105 GLY 112 106 THR 113 107 TYR 114 108 LYS 115 109 THR 116 110 ARG 117 111 ALA 118 112 GLU 119 113 VAL 120 114 LYS 121 115 PHE 122 116 GLU 123 117 GLY 124 118 ASP 125 119 THR 126 120 LEU 127 121 VAL 128 122 ASN 129 123 ARG 130 124 ILE 131 125 GLU 132 126 LEU 133 127 LYS 134 128 GLY 135 129 ILE 136 130 ASP 137 131 PHE 138 132 LYS 139 133 GLU 140 134 ASP 141 135 GLY 142 136 ASN 143 137 ILE 144 138 LEU 145 139 GLY 146 140 HIS 147 141 LYS 148 142 LEU 149 143 GLU 150 144 TYR 151 145 ASN 152 146 PHE 153 147 ASN 154 148 SER 155 149 HIS 156 150 ASN 157 151 VAL 158 152 TYR 159 153 ILE 160 154 THR 161 155 ALA 162 156 ASP 163 157 LYS 164 158 GLN 165 159 LYS 166 160 ASN 167 161 GLY 168 162 ILE 169 163 LYS 170 164 SER 171 165 ASN 172 166 PHE 173 167 LYS 174 168 ILE 175 169 ARG 176 170 HIS 177 171 ASN 178 172 VAL 179 173 GLU 180 174 ASP 181 175 GLY 182 176 SER 183 177 VAL 184 178 GLN 185 179 LEU 186 180 ALA 187 181 ASP 188 182 HIS 189 183 TYR 190 184 GLN 191 185 GLN 192 186 ASN 193 187 THR 194 188 PRO 195 189 ILE 196 190 GLY 197 191 ASP 198 192 GLY 199 193 PRO 200 194 VAL 201 195 LEU 202 196 LEU 203 197 PRO 204 198 ASP 205 199 ASN 206 200 HIS 207 201 TYR 208 202 LEU 209 203 SER 210 204 THR 211 205 GLN 212 206 SER 213 207 LYS 214 208 LEU 215 209 SER 216 210 LYS 217 211 ASP 218 212 PRO 219 213 ASN 220 214 GLU 221 215 LYS 222 216 ARG 223 217 ASP 224 218 HIS 225 219 MET 226 220 VAL 227 221 LEU 228 222 LEU 229 223 GLU 230 224 PHE 231 225 VAL 232 226 THR 233 227 ALA 234 228 ALA 235 229 GLY 236 230 ILE 237 231 THR 238 232 HIS 239 233 GLY 240 234 MET 241 235 ASP 242 236 GLU 243 237 LEU 244 238 TYR 245 239 LYS 246 240 GLY 247 241 SER 248 242 GLY 249 243 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Variant _Gene_mnemonic _Details $entity_1 'Aequorea victoria' 6100 Eukaryota Metazoa Aequorea victoria GFP rsFolder 'GFP variant' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $entity_1 'recombinant technology' . Escherichia coli BL21DE3 plasmid pET15-b_rsFolder 'Engineered variant of the GFP' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '50mM HEPES, 100mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 200 uM '[U-100% 13C; U-100% 15N]' HEPES 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name software_1 _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details CcpNMR save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_Laser-Driven_EXSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D Laser-Driven EXSY' _Sample_label $sample_1 save_ save_2D_AminoAcid_Edited_1H-13C_SOFAST_HMQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D AminoAcid_Edited 1H-13C SOFAST HMQC' _Sample_label $sample_1 save_ save_2D_1H-13C_SOFAST_HMQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C SOFAST HMQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50mM HEPES, 100mM NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.50 0.05 pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Values for reference found experimentally by measure the CS of water at given temperatures.' 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 carbons' ppm 0 na indirect . . . 1 DSS H 1 'methyl protons' ppm 0 na indirect . . . 1 DSS N 15 nitrogen ppm 0 na indirect . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HN(CO)CACB' '3D Laser-Driven EXSY' '2D AminoAcid_Edited 1H-13C SOFAST HMQC' '2D 1H-13C SOFAST HMQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name rsFolder _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 1 7 MET C C 175.849 0.000 1 2 1 7 MET CA C 55.735 0.000 1 3 1 7 MET CB C 33.420 0.000 1 4 2 8 VAL H H 8.326 0.021 1 5 2 8 VAL HG1 H 0.880 0.000 2 6 2 8 VAL HG2 H 0.914 0.000 2 7 2 8 VAL C C 175.841 0.020 1 8 2 8 VAL CA C 62.270 0.004 1 9 2 8 VAL CB C 32.992 0.000 1 10 2 8 VAL CG1 C 20.467 0.000 2 11 2 8 VAL CG2 C 21.043 0.000 2 12 2 8 VAL N N 121.146 0.152 1 13 3 9 SER H H 8.229 0.005 1 14 3 9 SER C C 174.188 0.013 1 15 3 9 SER CA C 57.859 0.006 1 16 3 9 SER CB C 64.653 0.000 1 17 3 9 SER N N 118.621 0.161 1 18 4 10 LYS H H 8.473 0.014 1 19 4 10 LYS C C 178.039 0.018 1 20 4 10 LYS CA C 57.128 0.004 1 21 4 10 LYS CB C 33.501 0.000 1 22 4 10 LYS N N 122.778 0.093 1 23 5 11 GLY H H 8.343 0.012 1 24 5 11 GLY C C 175.898 0.002 1 25 5 11 GLY CA C 47.220 0.050 1 26 5 11 GLY N N 108.903 0.075 1 27 6 12 GLU H H 8.090 0.012 1 28 6 12 GLU C C 179.119 0.000 1 29 6 12 GLU CA C 59.695 0.000 1 30 6 12 GLU CB C 29.602 0.000 1 31 6 12 GLU N N 118.897 0.087 1 32 7 13 GLU H H 8.001 0.009 1 33 7 13 GLU C C 177.759 0.000 1 34 7 13 GLU CA C 58.532 0.000 1 35 7 13 GLU CB C 29.567 0.000 1 36 7 13 GLU N N 118.511 0.156 1 37 8 14 LEU H H 7.524 0.015 1 38 8 14 LEU HD1 H 0.401 0.000 2 39 8 14 LEU HD2 H 0.457 0.000 2 40 8 14 LEU C C 177.317 0.006 1 41 8 14 LEU CA C 55.940 0.002 1 42 8 14 LEU CB C 41.570 0.000 1 43 8 14 LEU CD1 C 25.931 0.000 2 44 8 14 LEU CD2 C 26.070 0.000 2 45 8 14 LEU N N 117.014 0.094 1 46 9 15 PHE H H 7.605 0.008 1 47 9 15 PHE C C 176.132 0.007 1 48 9 15 PHE CA C 58.155 0.010 1 49 9 15 PHE CB C 39.807 0.000 1 50 9 15 PHE N N 113.339 0.145 1 51 10 16 THR H H 7.380 0.007 1 52 10 16 THR HG2 H 1.353 0.000 1 53 10 16 THR C C 174.335 0.011 1 54 10 16 THR CA C 64.316 0.009 1 55 10 16 THR CB C 69.038 0.000 1 56 10 16 THR CG2 C 22.269 0.000 1 57 10 16 THR N N 113.236 0.132 1 58 11 17 GLY H H 8.277 0.012 1 59 11 17 GLY C C 172.826 0.000 1 60 11 17 GLY CA C 44.007 0.038 1 61 11 17 GLY N N 111.475 0.126 1 62 12 18 VAL H H 8.280 0.012 1 63 12 18 VAL HG1 H 0.837 0.000 2 64 12 18 VAL HG2 H 1.064 0.000 2 65 12 18 VAL C C 176.808 0.005 1 66 12 18 VAL CA C 63.043 0.000 1 67 12 18 VAL CB C 31.847 0.000 1 68 12 18 VAL CG1 C 24.923 0.000 2 69 12 18 VAL CG2 C 20.626 0.000 2 70 12 18 VAL N N 121.567 0.127 1 71 13 19 VAL H H 9.027 0.009 1 72 13 19 VAL HG1 H 1.281 0.001 2 73 13 19 VAL HG2 H 1.433 0.000 2 74 13 19 VAL C C 173.779 0.000 1 75 13 19 VAL CA C 59.215 0.000 1 76 13 19 VAL CG1 C 22.164 0.008 2 77 13 19 VAL CG2 C 21.975 0.000 2 78 13 19 VAL N N 131.557 0.078 1 79 14 20 PRO C C 175.121 0.022 1 80 14 20 PRO CA C 62.790 0.000 1 81 14 20 PRO CB C 32.346 0.000 1 82 15 21 ILE H H 8.084 0.008 1 83 15 21 ILE HG2 H 0.786 0.005 1 84 15 21 ILE HD1 H 0.093 0.000 1 85 15 21 ILE C C 175.853 0.011 1 86 15 21 ILE CA C 59.344 0.027 1 87 15 21 ILE CB C 42.509 0.000 1 88 15 21 ILE CG2 C 18.379 0.073 1 89 15 21 ILE CD1 C 15.704 0.000 1 90 15 21 ILE N N 118.901 0.091 1 91 16 22 LEU H H 8.799 0.007 1 92 16 22 LEU HD1 H 1.111 0.000 1 93 16 22 LEU C C 174.557 0.000 1 94 16 22 LEU CA C 53.924 0.019 1 95 16 22 LEU CB C 46.546 0.000 1 96 16 22 LEU CD1 C 23.117 0.000 1 97 16 22 LEU N N 129.623 0.084 1 98 17 23 VAL H H 9.123 0.007 1 99 17 23 VAL HG1 H 1.189 0.000 2 100 17 23 VAL HG2 H 1.286 0.000 2 101 17 23 VAL C C 175.038 0.007 1 102 17 23 VAL CA C 60.190 0.001 1 103 17 23 VAL CB C 35.636 0.000 1 104 17 23 VAL CG1 C 21.933 0.000 2 105 17 23 VAL CG2 C 22.950 0.000 2 106 17 23 VAL N N 124.011 0.120 1 107 18 24 GLU H H 8.870 0.007 1 108 18 24 GLU C C 173.568 0.002 1 109 18 24 GLU CA C 55.713 0.007 1 110 18 24 GLU CB C 34.001 0.000 1 111 18 24 GLU N N 125.490 0.070 1 112 19 25 LEU H H 8.966 0.008 1 113 19 25 LEU HD1 H 0.678 0.000 2 114 19 25 LEU HD2 H 0.524 0.000 2 115 19 25 LEU C C 173.899 0.003 1 116 19 25 LEU CA C 54.037 0.007 1 117 19 25 LEU CB C 45.487 0.000 1 118 19 25 LEU CD1 C 28.101 0.000 2 119 19 25 LEU CD2 C 26.850 0.000 2 120 19 25 LEU N N 124.962 0.088 1 121 20 26 ASP H H 8.206 0.006 1 122 20 26 ASP C C 174.469 0.006 1 123 20 26 ASP CA C 54.089 0.011 1 124 20 26 ASP CB C 43.308 0.000 1 125 20 26 ASP N N 128.396 0.089 1 126 21 27 GLY H H 8.393 0.009 1 127 21 27 GLY C C 172.218 0.010 1 128 21 27 GLY CA C 44.255 0.033 1 129 21 27 GLY N N 110.544 0.080 1 130 22 28 ASP H H 7.179 0.006 1 131 22 28 ASP C C 176.286 0.008 1 132 22 28 ASP CA C 53.595 0.003 1 133 22 28 ASP CB C 43.780 0.000 1 134 22 28 ASP N N 119.929 0.148 1 135 23 29 VAL H H 8.643 0.010 1 136 23 29 VAL HG1 H 0.753 0.013 2 137 23 29 VAL HG2 H 0.592 0.000 2 138 23 29 VAL C C 174.985 0.008 1 139 23 29 VAL CA C 60.616 0.000 1 140 23 29 VAL CB C 34.513 0.000 1 141 23 29 VAL CG1 C 22.339 0.070 2 142 23 29 VAL CG2 C 21.052 0.000 2 143 23 29 VAL N N 123.050 0.177 1 144 24 30 ASN H H 8.997 0.012 1 145 24 30 ASN C C 174.050 0.009 1 146 24 30 ASN CA C 54.541 0.013 1 147 24 30 ASN CB C 37.305 0.000 1 148 24 30 ASN N N 126.849 0.080 1 149 25 31 GLY H H 8.235 0.006 1 150 25 31 GLY C C 174.553 0.015 1 151 25 31 GLY CA C 45.915 0.034 1 152 25 31 GLY N N 104.504 0.135 1 153 26 32 HIS H H 8.114 0.010 1 154 26 32 HIS C C 175.059 0.002 1 155 26 32 HIS CA C 55.422 0.005 1 156 26 32 HIS CB C 29.539 0.000 1 157 26 32 HIS N N 121.348 0.095 1 158 27 33 LYS H H 8.611 0.012 1 159 27 33 LYS C C 177.127 0.021 1 160 27 33 LYS CA C 55.916 0.005 1 161 27 33 LYS CB C 33.499 0.000 1 162 27 33 LYS N N 126.302 0.129 1 163 28 34 PHE H H 8.461 0.006 1 164 28 34 PHE C C 172.577 0.008 1 165 28 34 PHE CA C 55.946 0.000 1 166 28 34 PHE CB C 41.819 0.000 1 167 28 34 PHE N N 118.542 0.123 1 168 29 35 SER H H 7.790 0.008 1 169 29 35 SER C C 173.248 0.008 1 170 29 35 SER CA C 57.680 0.001 1 171 29 35 SER CB C 66.239 0.000 1 172 29 35 SER N N 114.366 0.096 1 173 30 36 VAL H H 9.163 0.009 1 174 30 36 VAL HG1 H 1.306 0.000 2 175 30 36 VAL HG2 H 1.028 0.000 2 176 30 36 VAL C C 174.467 0.001 1 177 30 36 VAL CA C 60.229 0.002 1 178 30 36 VAL CB C 37.320 0.000 1 179 30 36 VAL CG1 C 22.800 0.000 2 180 30 36 VAL CG2 C 22.670 0.000 2 181 30 36 VAL N N 122.465 0.117 1 182 31 37 ARG H H 9.124 0.008 1 183 31 37 ARG C C 175.868 0.003 1 184 31 37 ARG CA C 54.355 0.004 1 185 31 37 ARG CB C 33.993 0.000 1 186 31 37 ARG N N 128.650 0.061 1 187 32 38 GLY H H 10.162 0.011 1 188 32 38 GLY C C 170.978 0.005 1 189 32 38 GLY CA C 45.611 0.047 1 190 32 38 GLY N N 113.686 0.060 1 191 33 39 GLU H H 7.909 0.006 1 192 33 39 GLU C C 175.969 0.013 1 193 33 39 GLU CA C 54.405 0.004 1 194 33 39 GLU CB C 34.254 0.000 1 195 33 39 GLU N N 117.496 0.137 1 196 34 40 GLY H H 8.000 0.005 1 197 34 40 GLY C C 172.367 0.005 1 198 34 40 GLY CA C 46.312 0.004 1 199 34 40 GLY N N 110.172 0.142 1 200 35 41 GLU H H 8.684 0.008 1 201 35 41 GLU C C 174.244 0.001 1 202 35 41 GLU CA C 55.220 0.004 1 203 35 41 GLU CB C 33.468 0.000 1 204 35 41 GLU N N 121.512 0.092 1 205 36 42 GLY H H 9.086 0.010 1 206 36 42 GLY C C 171.262 0.014 1 207 36 42 GLY CA C 44.250 0.037 1 208 36 42 GLY N N 108.665 0.152 1 209 37 43 ASP H H 9.088 0.009 1 210 37 43 ASP C C 176.801 0.000 1 211 37 43 ASP CA C 51.714 0.000 1 212 37 43 ASP N N 124.508 0.057 1 213 38 44 ALA H H 10.655 0.000 1 214 38 44 ALA HB H 1.771 0.000 1 215 38 44 ALA C C 179.855 0.000 1 216 38 44 ALA CA C 54.588 0.000 1 217 38 44 ALA CB C 20.365 0.000 1 218 38 44 ALA N N 128.653 0.000 1 219 39 45 THR H H 9.045 0.011 1 220 39 45 THR HG2 H 1.316 0.000 1 221 39 45 THR C C 175.273 0.010 1 222 39 45 THR CA C 66.779 0.016 1 223 39 45 THR CB C 68.507 0.000 1 224 39 45 THR CG2 C 21.421 0.000 1 225 39 45 THR N N 115.349 0.071 1 226 40 46 ASN H H 7.102 0.005 1 227 40 46 ASN C C 174.969 0.007 1 228 40 46 ASN CA C 53.161 0.002 1 229 40 46 ASN CB C 40.748 0.000 1 230 40 46 ASN N N 114.881 0.092 1 231 41 47 GLY H H 8.190 0.007 1 232 41 47 GLY C C 173.750 0.008 1 233 41 47 GLY CA C 47.727 0.042 1 234 41 47 GLY N N 112.484 0.074 1 235 42 48 LYS H H 7.850 0.006 1 236 42 48 LYS C C 174.617 0.041 1 237 42 48 LYS CA C 55.068 0.000 1 238 42 48 LYS CB C 37.330 0.000 1 239 42 48 LYS N N 118.202 0.184 1 240 43 49 LEU H H 8.661 0.008 1 241 43 49 LEU HD1 H 0.594 0.000 2 242 43 49 LEU HD2 H 0.659 0.000 2 243 43 49 LEU C C 174.690 0.000 1 244 43 49 LEU CA C 54.600 0.008 1 245 43 49 LEU CB C 45.525 0.000 1 246 43 49 LEU CD1 C 25.679 0.000 2 247 43 49 LEU CD2 C 26.008 0.000 2 248 43 49 LEU N N 122.650 0.092 1 249 44 50 THR H H 8.156 0.006 1 250 44 50 THR HG2 H 1.122 0.000 1 251 44 50 THR C C 173.749 0.009 1 252 44 50 THR CA C 60.394 0.004 1 253 44 50 THR CB C 70.663 0.000 1 254 44 50 THR CG2 C 21.325 0.000 1 255 44 50 THR N N 115.770 0.181 1 256 45 51 LEU H H 8.859 0.009 1 257 45 51 LEU HD1 H 0.559 0.000 2 258 45 51 LEU HD2 H 0.770 0.000 2 259 45 51 LEU C C 173.651 0.008 1 260 45 51 LEU CA C 54.072 0.004 1 261 45 51 LEU CB C 50.460 0.000 1 262 45 51 LEU CD1 C 23.352 0.000 2 263 45 51 LEU CD2 C 27.668 0.000 2 264 45 51 LEU N N 125.029 0.070 1 265 46 52 LYS H H 7.810 0.006 1 266 46 52 LYS C C 174.890 0.016 1 267 46 52 LYS CA C 55.245 0.006 1 268 46 52 LYS CB C 34.508 0.000 1 269 46 52 LYS N N 119.754 0.123 1 270 47 53 PHE H H 9.178 0.008 1 271 47 53 PHE C C 174.616 0.002 1 272 47 53 PHE CA C 55.986 0.007 1 273 47 53 PHE CB C 43.389 0.000 1 274 47 53 PHE N N 124.534 0.161 1 275 48 54 ILE H H 9.342 0.007 1 276 48 54 ILE HG2 H 0.911 0.000 1 277 48 54 ILE HD1 H 0.641 0.000 1 278 48 54 ILE C C 176.326 0.010 1 279 48 54 ILE CA C 59.243 0.001 1 280 48 54 ILE CB C 42.220 0.000 1 281 48 54 ILE CG2 C 18.003 0.000 1 282 48 54 ILE CD1 C 12.962 0.000 1 283 48 54 ILE N N 117.348 0.107 1 284 49 55 CYS H H 8.931 0.016 1 285 49 55 CYS C C 175.511 0.008 1 286 49 55 CYS CA C 58.473 0.006 1 287 49 55 CYS CB C 27.469 0.000 1 288 49 55 CYS N N 125.159 0.144 1 289 50 56 THR H H 8.458 0.007 1 290 50 56 THR HG2 H 1.329 0.000 1 291 50 56 THR C C 176.083 0.019 1 292 50 56 THR CA C 63.688 0.005 1 293 50 56 THR CB C 67.953 0.000 1 294 50 56 THR CG2 C 23.103 0.000 1 295 50 56 THR N N 120.966 0.123 1 296 51 57 THR H H 7.971 0.007 1 297 51 57 THR HG2 H 1.306 0.000 1 298 51 57 THR C C 174.199 0.018 1 299 51 57 THR CA C 61.521 0.007 1 300 51 57 THR CB C 69.199 0.000 1 301 51 57 THR CG2 C 22.514 0.000 1 302 51 57 THR N N 109.613 0.084 1 303 52 58 GLY H H 7.320 0.007 1 304 52 58 GLY C C 172.451 0.010 1 305 52 58 GLY CA C 45.444 0.015 1 306 52 58 GLY N N 110.230 0.109 1 307 53 59 LYS H H 8.470 0.015 1 308 53 59 LYS C C 177.519 0.000 1 309 53 59 LYS CA C 55.446 0.010 1 310 53 59 LYS CB C 33.154 0.000 1 311 53 59 LYS N N 126.602 0.145 1 312 54 60 LEU H H 9.512 0.009 1 313 54 60 LEU C C 177.327 0.000 1 314 54 60 LEU CA C 53.375 0.000 1 315 54 60 LEU N N 133.339 0.084 1 316 56 62 VAL H H 6.071 0.000 1 317 56 62 VAL HG1 H 0.219 0.000 2 318 56 62 VAL HG2 H -0.177 0.002 2 319 56 62 VAL CG1 C 21.850 0.000 2 320 56 62 VAL CG2 C 15.696 0.066 2 321 56 62 VAL N N 106.515 0.000 1 322 58 64 TRP HE1 H 10.250 0.006 1 323 58 64 TRP NE1 N 132.422 0.131 1 324 59 65 PRO C C 179.038 0.000 1 325 59 65 PRO CA C 66.283 0.000 1 326 59 65 PRO CB C 32.404 0.000 1 327 60 66 THR H H 7.530 0.006 1 328 60 66 THR HG2 H 1.382 0.000 1 329 60 66 THR C C 174.697 0.000 1 330 60 66 THR CA C 63.985 0.011 1 331 60 66 THR CB C 69.055 0.000 1 332 60 66 THR CG2 C 22.215 0.000 1 333 60 66 THR N N 102.151 0.149 1 334 61 67 LEU H H 7.998 0.010 1 335 61 67 LEU C C 176.908 0.000 1 336 61 67 LEU CA C 54.092 0.000 1 337 61 67 LEU CB C 43.338 0.000 1 338 61 67 LEU N N 118.467 0.095 1 339 62 68 VAL H H 6.929 0.006 1 340 62 68 VAL HG1 H -0.040 0.000 2 341 62 68 VAL HG2 H 0.777 0.000 2 342 62 68 VAL C C 176.109 0.004 1 343 62 68 VAL CA C 68.794 0.008 1 344 62 68 VAL CB C 31.824 0.000 1 345 62 68 VAL CG1 C 19.353 0.000 2 346 62 68 VAL CG2 C 23.952 0.000 2 347 62 68 VAL N N 122.521 0.071 1 348 63 69 THR H H 9.002 0.008 1 349 63 69 THR HG2 H 0.457 0.000 1 350 63 69 THR C C 178.136 0.003 1 351 63 69 THR CA C 64.993 0.005 1 352 63 69 THR CB C 68.102 0.000 1 353 63 69 THR CG2 C 22.079 0.000 1 354 63 69 THR N N 106.524 0.073 1 355 64 70 THR H H 7.628 0.008 1 356 64 70 THR HG2 H 1.102 0.000 1 357 64 70 THR C C 174.602 0.010 1 358 64 70 THR CA C 67.141 0.013 1 359 64 70 THR CB C 68.503 0.000 1 360 64 70 THR CG2 C 22.878 0.000 1 361 64 70 THR N N 120.902 0.105 1 362 65 71 LEU H H 8.170 0.008 1 363 65 71 LEU HD1 H 0.590 0.000 1 364 65 71 LEU C C 176.016 0.005 1 365 65 71 LEU CA C 56.877 0.002 1 366 65 71 LEU CB C 42.338 0.000 1 367 65 71 LEU CD1 C 23.306 0.000 1 368 65 71 LEU N N 118.464 0.076 1 369 66 72 ALA H H 8.034 0.007 1 370 66 72 ALA HB H 1.227 0.000 1 371 66 72 ALA C C 176.035 0.000 1 372 66 72 ALA CA C 44.333 0.000 1 373 66 72 ALA CB C 18.971 0.000 1 374 66 72 ALA N N 116.204 0.079 1 375 68 74 GLY C C 174.569 0.000 1 376 68 74 GLY CA C 46.109 0.000 1 377 69 75 VAL H H 8.913 0.010 1 378 69 75 VAL HG1 H 0.681 0.000 2 379 69 75 VAL HG2 H 0.813 0.000 2 380 69 75 VAL C C 174.866 0.021 1 381 69 75 VAL CA C 59.497 0.011 1 382 69 75 VAL CB C 31.830 0.000 1 383 69 75 VAL CG1 C 23.140 0.000 2 384 69 75 VAL CG2 C 21.820 0.000 2 385 69 75 VAL N N 124.095 0.085 1 386 70 76 LEU H H 7.732 0.008 1 387 70 76 LEU HD1 H 0.243 0.000 1 388 70 76 LEU C C 176.213 0.005 1 389 70 76 LEU CA C 56.441 0.016 1 390 70 76 LEU CB C 39.508 0.000 1 391 70 76 LEU CD1 C 20.034 0.000 1 392 70 76 LEU N N 120.927 0.130 1 393 71 77 CYS H H 7.130 0.018 1 394 71 77 CYS C C 172.129 0.000 1 395 71 77 CYS CA C 57.198 0.006 1 396 71 77 CYS CB C 27.871 0.000 1 397 71 77 CYS N N 114.757 0.078 1 398 72 78 PHE H H 6.942 0.012 1 399 72 78 PHE C C 172.503 0.000 1 400 72 78 PHE CA C 60.361 0.000 1 401 72 78 PHE N N 116.358 0.098 1 402 73 79 SER H H 6.585 0.007 1 403 73 79 SER C C 173.247 0.000 1 404 73 79 SER CA C 58.975 0.000 1 405 73 79 SER CB C 64.448 0.000 1 406 73 79 SER N N 111.566 0.117 1 407 74 80 ARG H H 8.510 0.012 1 408 74 80 ARG C C 175.724 0.034 1 409 74 80 ARG CA C 55.669 0.025 1 410 74 80 ARG CB C 30.411 0.000 1 411 74 80 ARG N N 125.940 0.101 1 412 75 81 TYR H H 9.127 0.017 1 413 75 81 TYR C C 174.041 0.000 1 414 75 81 TYR CA C 55.293 0.000 1 415 75 81 TYR N N 132.380 0.082 1 416 76 82 PRO C C 176.785 0.000 1 417 76 82 PRO CA C 57.365 0.000 1 418 76 82 PRO CB C 30.162 0.000 1 419 77 83 ASP H H 7.935 0.010 1 420 77 83 ASP C C 177.391 0.017 1 421 77 83 ASP CA C 55.944 0.008 1 422 77 83 ASP CB C 42.198 0.000 1 423 77 83 ASP N N 121.150 0.073 1 424 78 84 HIS H H 7.866 0.011 1 425 78 84 HIS C C 175.974 0.013 1 426 78 84 HIS CA C 58.068 0.010 1 427 78 84 HIS CB C 29.646 0.000 1 428 78 84 HIS N N 119.315 0.126 1 429 79 85 MET H H 8.090 0.010 1 430 79 85 MET C C 176.251 0.011 1 431 79 85 MET CA C 54.517 0.000 1 432 79 85 MET CB C 33.510 0.000 1 433 79 85 MET N N 117.741 0.058 1 434 80 86 LYS H H 7.278 0.006 1 435 80 86 LYS C C 178.541 0.017 1 436 80 86 LYS CA C 60.661 0.006 1 437 80 86 LYS CB C 32.529 0.000 1 438 80 86 LYS N N 121.378 0.079 1 439 81 87 ARG H H 8.144 0.020 1 440 81 87 ARG C C 174.159 0.002 1 441 81 87 ARG CA C 57.210 0.031 1 442 81 87 ARG CB C 28.787 0.000 1 443 81 87 ARG N N 115.723 0.176 1 444 82 88 HIS H H 7.575 0.008 1 445 82 88 HIS C C 174.067 0.014 1 446 82 88 HIS CA C 55.072 0.008 1 447 82 88 HIS CB C 31.303 0.000 1 448 82 88 HIS N N 115.965 0.096 1 449 83 89 ASP H H 6.577 0.008 1 450 83 89 ASP C C 175.234 0.013 1 451 83 89 ASP CA C 52.163 0.010 1 452 83 89 ASP CB C 38.434 0.000 1 453 83 89 ASP N N 118.394 0.078 1 454 84 90 PHE H H 8.197 0.008 1 455 84 90 PHE C C 176.917 0.009 1 456 84 90 PHE CA C 60.382 0.007 1 457 84 90 PHE CB C 40.311 0.000 1 458 84 90 PHE N N 126.723 0.082 1 459 85 91 PHE H H 6.735 0.005 1 460 85 91 PHE C C 177.236 0.021 1 461 85 91 PHE CA C 59.697 0.019 1 462 85 91 PHE CB C 37.824 0.000 1 463 85 91 PHE N N 112.375 0.113 1 464 86 92 LYS H H 7.185 0.008 1 465 86 92 LYS C C 179.015 0.007 1 466 86 92 LYS CA C 59.650 0.009 1 467 86 92 LYS CB C 32.903 0.000 1 468 86 92 LYS N N 112.005 0.113 1 469 87 93 SER H H 7.034 0.005 1 470 87 93 SER C C 174.352 0.002 1 471 87 93 SER CA C 60.899 0.007 1 472 87 93 SER CB C 63.074 0.000 1 473 87 93 SER N N 114.755 0.074 1 474 88 94 ALA H H 6.709 0.006 1 475 88 94 ALA HB H 1.427 0.000 1 476 88 94 ALA C C 176.711 0.009 1 477 88 94 ALA CA C 52.146 0.013 1 478 88 94 ALA CB C 19.268 0.000 1 479 88 94 ALA N N 120.255 0.103 1 480 89 95 MET H H 7.548 0.015 1 481 89 95 MET C C 174.435 0.027 1 482 89 95 MET CA C 53.159 0.144 1 483 89 95 MET N N 116.268 0.160 1 484 90 96 PRO C C 176.699 0.000 1 485 90 96 PRO CA C 64.346 0.015 1 486 90 96 PRO CB C 35.374 0.000 1 487 91 97 GLU H H 9.602 0.016 1 488 91 97 GLU C C 177.406 0.012 1 489 91 97 GLU CA C 61.819 0.001 1 490 91 97 GLU CB C 29.079 0.000 1 491 91 97 GLU N N 126.525 0.071 1 492 92 98 GLY H H 8.584 0.008 1 493 92 98 GLY C C 174.574 0.006 1 494 92 98 GLY CA C 45.443 0.030 1 495 92 98 GLY N N 100.328 0.152 1 496 93 99 TYR H H 8.645 0.007 1 497 93 99 TYR C C 172.976 0.013 1 498 93 99 TYR CA C 55.288 0.004 1 499 93 99 TYR CB C 41.665 0.000 1 500 93 99 TYR N N 111.287 0.076 1 501 94 100 VAL H H 9.658 0.010 1 502 94 100 VAL HG1 H 1.121 0.000 2 503 94 100 VAL HG2 H 1.132 0.000 2 504 94 100 VAL C C 177.428 0.008 1 505 94 100 VAL CA C 60.912 0.001 1 506 94 100 VAL CB C 33.490 0.000 1 507 94 100 VAL CG1 C 22.473 0.000 2 508 94 100 VAL CG2 C 21.681 0.000 2 509 94 100 VAL N N 120.821 0.082 1 510 95 101 GLN H H 9.629 0.008 1 511 95 101 GLN C C 174.942 0.008 1 512 95 101 GLN CA C 55.126 0.007 1 513 95 101 GLN CB C 34.144 0.000 1 514 95 101 GLN N N 127.785 0.072 1 515 96 102 GLU H H 9.661 0.008 1 516 96 102 GLU C C 175.776 0.009 1 517 96 102 GLU CA C 55.294 0.006 1 518 96 102 GLU CB C 34.017 0.000 1 519 96 102 GLU N N 133.520 0.147 1 520 97 103 ARG H H 8.766 0.007 1 521 97 103 ARG C C 176.894 0.017 1 522 97 103 ARG CA C 55.509 0.012 1 523 97 103 ARG CB C 35.109 0.000 1 524 97 103 ARG N N 118.378 0.071 1 525 98 104 THR H H 8.166 0.016 1 526 98 104 THR HG2 H 1.205 0.000 1 527 98 104 THR C C 173.985 0.000 1 528 98 104 THR CA C 63.102 0.087 1 529 98 104 THR CB C 71.186 0.000 1 530 98 104 THR CG2 C 21.766 0.000 1 531 98 104 THR N N 115.730 0.171 1 532 99 105 ILE H H 9.649 0.007 1 533 99 105 ILE HG2 H 0.742 0.000 1 534 99 105 ILE HD1 H -0.476 0.000 1 535 99 105 ILE C C 174.273 0.005 1 536 99 105 ILE CA C 59.924 0.000 1 537 99 105 ILE CB C 39.457 0.000 1 538 99 105 ILE CG2 C 14.792 0.000 1 539 99 105 ILE CD1 C 17.769 0.000 1 540 99 105 ILE N N 127.279 0.071 1 541 100 106 SER H H 8.935 0.008 1 542 100 106 SER C C 174.794 0.019 1 543 100 106 SER CA C 56.787 0.018 1 544 100 106 SER CB C 63.524 0.000 1 545 100 106 SER N N 122.466 0.070 1 546 101 107 PHE H H 8.965 0.007 1 547 101 107 PHE C C 175.077 0.001 1 548 101 107 PHE CA C 58.026 0.014 1 549 101 107 PHE CB C 38.330 0.000 1 550 101 107 PHE N N 129.281 0.164 1 551 102 108 LYS H H 7.616 0.008 1 552 102 108 LYS C C 177.166 0.009 1 553 102 108 LYS CA C 58.549 0.000 1 554 102 108 LYS CB C 32.902 0.000 1 555 102 108 LYS N N 127.524 0.130 1 556 103 109 ASP H H 9.163 0.011 1 557 103 109 ASP C C 174.086 0.015 1 558 103 109 ASP CA C 56.412 0.009 1 559 103 109 ASP CB C 40.024 0.000 1 560 103 109 ASP N N 122.374 0.151 1 561 104 110 ASP H H 8.542 0.007 1 562 104 110 ASP C C 177.227 0.018 1 563 104 110 ASP CA C 53.817 0.005 1 564 104 110 ASP CB C 43.908 0.000 1 565 104 110 ASP N N 122.729 0.130 1 566 105 111 GLY H H 7.773 0.007 1 567 105 111 GLY C C 171.775 0.002 1 568 105 111 GLY CA C 44.453 0.026 1 569 105 111 GLY N N 108.986 0.094 1 570 106 112 THR H H 7.881 0.007 1 571 106 112 THR HG2 H 1.147 0.000 1 572 106 112 THR C C 175.995 0.002 1 573 106 112 THR CA C 60.876 0.001 1 574 106 112 THR CB C 73.951 0.000 1 575 106 112 THR CG2 C 21.835 0.000 1 576 106 112 THR N N 112.769 0.157 1 577 107 113 TYR H H 9.809 0.008 1 578 107 113 TYR C C 175.536 0.002 1 579 107 113 TYR CA C 53.345 0.006 1 580 107 113 TYR CB C 40.022 0.000 1 581 107 113 TYR N N 121.930 0.075 1 582 108 114 LYS H H 9.527 0.007 1 583 108 114 LYS C C 177.056 0.004 1 584 108 114 LYS CA C 55.770 0.004 1 585 108 114 LYS CB C 34.008 0.000 1 586 108 114 LYS N N 123.290 0.103 1 587 109 115 THR H H 9.413 0.008 1 588 109 115 THR HG2 H 1.064 0.000 1 589 109 115 THR C C 173.645 0.004 1 590 109 115 THR CA C 59.474 0.001 1 591 109 115 THR CB C 71.233 0.000 1 592 109 115 THR CG2 C 20.750 0.000 1 593 109 115 THR N N 114.842 0.070 1 594 110 116 ARG H H 8.675 0.009 1 595 110 116 ARG C C 173.378 0.015 1 596 110 116 ARG CA C 57.048 0.003 1 597 110 116 ARG CB C 32.861 0.000 1 598 110 116 ARG N N 123.861 0.135 1 599 111 117 ALA H H 8.824 0.007 1 600 111 117 ALA HB H 1.636 0.000 1 601 111 117 ALA C C 176.235 0.003 1 602 111 117 ALA CA C 49.751 0.004 1 603 111 117 ALA CB C 25.256 0.000 1 604 111 117 ALA N N 130.470 0.170 1 605 112 118 GLU H H 8.579 0.006 1 606 112 118 GLU C C 174.359 0.002 1 607 112 118 GLU CA C 55.786 0.010 1 608 112 118 GLU CB C 32.373 0.000 1 609 112 118 GLU N N 119.656 0.093 1 610 113 119 VAL H H 8.596 0.008 1 611 113 119 VAL HG1 H 0.814 0.005 2 612 113 119 VAL HG2 H 0.918 0.000 2 613 113 119 VAL C C 174.487 0.092 1 614 113 119 VAL CA C 60.497 0.017 1 615 113 119 VAL CB C 31.795 0.000 1 616 113 119 VAL CG1 C 21.790 0.048 2 617 113 119 VAL CG2 C 21.260 0.000 2 618 113 119 VAL N N 125.051 0.090 1 619 114 120 LYS H H 8.660 0.008 1 620 114 120 LYS C C 174.335 0.011 1 621 114 120 LYS CA C 55.046 0.002 1 622 114 120 LYS CB C 35.421 0.000 1 623 114 120 LYS N N 120.146 0.073 1 624 115 121 PHE H H 7.594 0.008 1 625 115 121 PHE C C 177.240 0.020 1 626 115 121 PHE CA C 59.447 0.006 1 627 115 121 PHE CB C 40.546 0.000 1 628 115 121 PHE N N 117.980 0.135 1 629 116 122 GLU H H 9.123 0.008 1 630 116 122 GLU C C 176.775 0.020 1 631 116 122 GLU CA C 55.961 0.007 1 632 116 122 GLU CB C 30.282 0.000 1 633 116 122 GLU N N 124.049 0.135 1 634 117 123 GLY H H 8.830 0.012 1 635 117 123 GLY C C 174.410 0.006 1 636 117 123 GLY CA C 47.201 0.039 1 637 117 123 GLY N N 115.985 0.127 1 638 118 124 ASP H H 8.507 0.010 1 639 118 124 ASP C C 175.375 0.020 1 640 118 124 ASP CA C 54.358 0.003 1 641 118 124 ASP CB C 41.643 0.000 1 642 118 124 ASP N N 125.969 0.057 1 643 119 125 THR H H 7.648 0.008 1 644 119 125 THR HG2 H 1.038 0.000 1 645 119 125 THR C C 171.484 0.014 1 646 119 125 THR CA C 62.458 0.002 1 647 119 125 THR CB C 71.752 0.000 1 648 119 125 THR CG2 C 21.852 0.000 1 649 119 125 THR N N 115.057 0.128 1 650 120 126 LEU H H 8.525 0.008 1 651 120 126 LEU HD1 H 0.381 0.000 1 652 120 126 LEU C C 174.514 0.005 1 653 120 126 LEU CA C 52.687 0.001 1 654 120 126 LEU CB C 41.155 0.000 1 655 120 126 LEU CD1 C 24.264 0.021 1 656 120 126 LEU N N 130.391 0.095 1 657 121 127 VAL H H 8.998 0.007 1 658 121 127 VAL HG1 H 0.928 0.000 2 659 121 127 VAL HG2 H 0.993 0.000 2 660 121 127 VAL C C 174.023 0.019 1 661 121 127 VAL CA C 60.152 0.000 1 662 121 127 VAL CB C 34.505 0.000 1 663 121 127 VAL CG1 C 21.523 0.000 2 664 121 127 VAL CG2 C 21.628 0.000 2 665 121 127 VAL N N 125.554 0.103 1 666 122 128 ASN H H 8.476 0.007 1 667 122 128 ASN C C 173.900 0.000 1 668 122 128 ASN CA C 51.010 0.002 1 669 122 128 ASN CB C 41.101 0.000 1 670 122 128 ASN N N 121.932 0.074 1 671 123 129 ARG H H 8.753 0.008 1 672 123 129 ARG C C 176.448 0.007 1 673 123 129 ARG CA C 56.372 0.004 1 674 123 129 ARG CB C 31.738 0.000 1 675 123 129 ARG N N 125.902 0.146 1 676 124 130 ILE H H 9.327 0.009 1 677 124 130 ILE HG2 H 0.784 0.000 1 678 124 130 ILE HD1 H 0.845 0.000 1 679 124 130 ILE C C 175.570 0.000 1 680 124 130 ILE CA C 61.299 0.003 1 681 124 130 ILE CB C 43.872 0.000 1 682 124 130 ILE CG2 C 19.755 0.000 1 683 124 130 ILE CD1 C 19.331 0.000 1 684 124 130 ILE N N 124.496 0.160 1 685 125 131 GLU H H 8.967 0.007 1 686 125 131 GLU C C 174.674 0.019 1 687 125 131 GLU CA C 55.468 0.007 1 688 125 131 GLU CB C 32.903 0.000 1 689 125 131 GLU N N 127.490 0.132 1 690 126 132 LEU H H 8.463 0.008 1 691 126 132 LEU C C 174.592 0.035 1 692 126 132 LEU CA C 54.329 0.005 1 693 126 132 LEU CB C 46.625 0.000 1 694 126 132 LEU N N 126.725 0.084 1 695 127 133 LYS H H 9.139 0.008 1 696 127 133 LYS C C 175.375 0.015 1 697 127 133 LYS CA C 54.866 0.038 1 698 127 133 LYS CB C 35.612 0.000 1 699 127 133 LYS N N 129.132 0.175 1 700 128 134 GLY H H 10.151 0.009 1 701 128 134 GLY C C 172.816 0.003 1 702 128 134 GLY CA C 45.440 0.023 1 703 128 134 GLY N N 114.558 0.077 1 704 129 135 ILE H H 9.272 0.007 1 705 129 135 ILE HG2 H 1.008 0.000 1 706 129 135 ILE HD1 H 0.265 0.000 1 707 129 135 ILE C C 173.612 0.014 1 708 129 135 ILE CA C 60.124 0.008 1 709 129 135 ILE CB C 42.796 0.000 1 710 129 135 ILE CG2 C 18.315 0.015 1 711 129 135 ILE CD1 C 14.836 0.000 1 712 129 135 ILE N N 124.208 0.095 1 713 130 136 ASP H H 8.756 0.007 1 714 130 136 ASP C C 175.365 0.016 1 715 130 136 ASP CA C 55.829 0.022 1 716 130 136 ASP CB C 38.513 0.000 1 717 130 136 ASP N N 116.450 0.086 1 718 131 137 PHE H H 8.665 0.010 1 719 131 137 PHE C C 177.881 0.002 1 720 131 137 PHE CA C 59.458 0.001 1 721 131 137 PHE CB C 39.520 0.000 1 722 131 137 PHE N N 115.385 0.067 1 723 132 138 LYS H H 9.698 0.008 1 724 132 138 LYS C C 179.206 0.000 1 725 132 138 LYS CA C 55.729 0.000 1 726 132 138 LYS N N 123.178 0.072 1 727 133 139 GLU C C 175.599 0.000 1 728 133 139 GLU CA C 59.919 0.000 1 729 133 139 GLU CB C 29.256 0.000 1 730 134 140 ASP H H 8.260 0.008 1 731 134 140 ASP C C 176.680 0.011 1 732 134 140 ASP CA C 52.570 0.003 1 733 134 140 ASP CB C 40.056 0.000 1 734 134 140 ASP N N 114.125 0.074 1 735 135 141 GLY H H 7.099 0.007 1 736 135 141 GLY C C 174.484 0.003 1 737 135 141 GLY CA C 44.439 0.019 1 738 135 141 GLY N N 104.172 0.082 1 739 136 142 ASN H H 9.046 0.007 1 740 136 142 ASN C C 175.266 0.012 1 741 136 142 ASN CA C 55.556 0.001 1 742 136 142 ASN CB C 38.758 0.000 1 743 136 142 ASN N N 114.028 0.113 1 744 137 143 ILE H H 7.151 0.006 1 745 137 143 ILE HG2 H 0.151 0.017 1 746 137 143 ILE HD1 H 0.363 0.000 1 747 137 143 ILE C C 176.397 0.014 1 748 137 143 ILE CA C 63.553 0.004 1 749 137 143 ILE CB C 36.309 0.000 1 750 137 143 ILE CG2 C 18.657 0.077 1 751 137 143 ILE CD1 C 13.271 0.000 1 752 137 143 ILE N N 116.082 0.087 1 753 138 144 LEU H H 9.010 0.007 1 754 138 144 LEU C C 178.482 0.006 1 755 138 144 LEU CA C 56.649 0.002 1 756 138 144 LEU CB C 39.968 0.000 1 757 138 144 LEU N N 117.970 0.123 1 758 139 145 GLY H H 7.033 0.007 1 759 139 145 GLY C C 174.064 0.017 1 760 139 145 GLY CA C 44.990 0.014 1 761 139 145 GLY N N 102.411 0.088 1 762 140 146 HIS H H 7.393 0.006 1 763 140 146 HIS C C 175.492 0.018 1 764 140 146 HIS CA C 58.346 0.006 1 765 140 146 HIS CB C 28.548 0.000 1 766 140 146 HIS N N 115.643 0.125 1 767 141 147 LYS H H 7.624 0.019 1 768 141 147 LYS C C 175.530 0.008 1 769 141 147 LYS CA C 55.016 0.001 1 770 141 147 LYS CB C 32.928 0.000 1 771 141 147 LYS N N 115.021 0.113 1 772 142 148 LEU H H 7.383 0.009 1 773 142 148 LEU C C 177.831 0.021 1 774 142 148 LEU CA C 54.107 0.000 1 775 142 148 LEU CB C 41.850 0.000 1 776 142 148 LEU N N 116.910 0.099 1 777 143 149 GLU H H 8.110 0.012 1 778 143 149 GLU C C 176.919 0.000 1 779 143 149 GLU CA C 56.653 0.000 1 780 143 149 GLU N N 121.364 0.078 1 781 144 150 TYR C C 172.626 0.000 1 782 144 150 TYR CA C 57.586 0.000 1 783 144 150 TYR CB C 36.198 0.000 1 784 145 151 ASN H H 7.988 0.007 1 785 145 151 ASN C C 173.197 0.000 1 786 145 151 ASN CA C 52.685 0.000 1 787 145 151 ASN N N 120.010 0.062 1 788 146 152 PHE H H 8.579 0.011 1 789 146 152 PHE C C 173.626 0.002 1 790 146 152 PHE N N 120.465 0.151 1 791 147 153 ASN H H 8.327 0.008 1 792 147 153 ASN CA C 53.795 0.033 1 793 147 153 ASN N N 125.522 0.070 1 794 148 154 SER C C 175.044 0.000 1 795 149 155 HIS H H 8.029 0.017 1 796 149 155 HIS C C 175.978 0.000 1 797 149 155 HIS N N 121.579 0.114 1 798 152 158 TYR H H 8.888 0.011 1 799 152 158 TYR C C 175.526 0.004 1 800 152 158 TYR CA C 57.437 0.039 1 801 152 158 TYR N N 128.462 0.161 1 802 153 159 ILE H H 8.928 0.009 1 803 153 159 ILE HG2 H 0.693 0.000 1 804 153 159 ILE HD1 H 0.831 0.000 1 805 153 159 ILE C C 173.859 0.014 1 806 153 159 ILE CA C 59.278 0.001 1 807 153 159 ILE CG2 C 18.146 0.000 1 808 153 159 ILE CD1 C 12.855 0.000 1 809 153 159 ILE N N 129.886 0.068 1 810 154 160 THR H H 7.813 0.007 1 811 154 160 THR HG2 H 1.064 0.000 1 812 154 160 THR C C 172.843 0.000 1 813 154 160 THR CA C 59.029 0.000 1 814 154 160 THR CB C 72.299 0.000 1 815 154 160 THR CG2 C 20.990 0.000 1 816 154 160 THR N N 115.299 0.071 1 817 155 161 ALA H H 8.823 0.010 1 818 155 161 ALA HB H 1.558 0.000 1 819 155 161 ALA C C 176.918 0.009 1 820 155 161 ALA CA C 52.447 0.002 1 821 155 161 ALA CB C 20.329 0.000 1 822 155 161 ALA N N 124.392 0.123 1 823 156 162 ASP H H 8.803 0.014 1 824 156 162 ASP C C 176.586 0.008 1 825 156 162 ASP N N 122.403 0.073 1 826 158 164 GLN C C 177.304 0.003 1 827 158 164 GLN CA C 58.513 0.000 1 828 158 164 GLN CB C 28.608 0.000 1 829 159 165 LYS H H 7.247 0.006 1 830 159 165 LYS C C 175.635 0.003 1 831 159 165 LYS CA C 55.060 0.002 1 832 159 165 LYS CB C 32.907 0.000 1 833 159 165 LYS N N 116.150 0.079 1 834 160 166 ASN H H 7.842 0.009 1 835 160 166 ASN C C 172.409 0.011 1 836 160 166 ASN CA C 54.292 0.008 1 837 160 166 ASN CB C 38.362 0.000 1 838 160 166 ASN N N 118.086 0.135 1 839 161 167 GLY H H 7.225 0.008 1 840 161 167 GLY C C 173.186 0.005 1 841 161 167 GLY CA C 45.337 0.061 1 842 161 167 GLY N N 99.409 0.085 1 843 162 168 ILE H H 7.673 0.008 1 844 162 168 ILE HG2 H 0.215 0.000 1 845 162 168 ILE HD1 H 0.671 0.000 1 846 162 168 ILE C C 174.544 0.015 1 847 162 168 ILE CA C 58.045 0.006 1 848 162 168 ILE CB C 42.782 0.000 1 849 162 168 ILE CG2 C 19.205 0.000 1 850 162 168 ILE CD1 C 10.342 0.000 1 851 162 168 ILE N N 112.006 0.135 1 852 163 169 LYS H H 9.044 0.012 1 853 163 169 LYS C C 174.798 0.011 1 854 163 169 LYS CA C 55.108 0.014 1 855 163 169 LYS CB C 36.763 0.000 1 856 163 169 LYS N N 119.777 0.144 1 857 164 170 SER H H 8.434 0.008 1 858 164 170 SER C C 173.008 0.000 1 859 164 170 SER CA C 58.933 0.061 1 860 164 170 SER N N 111.950 0.108 1 861 165 171 ASN H H 8.825 0.014 1 862 165 171 ASN N N 124.452 0.165 1 863 166 172 PHE H H 8.764 0.009 1 864 166 172 PHE N N 118.575 0.188 1 865 168 174 ILE HG2 H -0.008 0.000 1 866 168 174 ILE HD1 H -0.036 0.000 1 867 168 174 ILE CG2 C 16.301 0.000 1 868 168 174 ILE CD1 C 7.231 0.000 1 869 169 175 ARG CB C 31.265 0.000 1 870 170 176 HIS H H 8.732 0.007 1 871 170 176 HIS C C 174.688 0.000 1 872 170 176 HIS CA C 54.622 0.000 1 873 170 176 HIS CB C 30.197 0.000 1 874 170 176 HIS N N 123.139 0.058 1 875 171 177 ASN H H 9.298 0.013 1 876 171 177 ASN C C 175.292 0.006 1 877 171 177 ASN CA C 55.052 0.017 1 878 171 177 ASN CB C 38.317 0.000 1 879 171 177 ASN N N 125.355 0.083 1 880 172 178 VAL H H 8.700 0.008 1 881 172 178 VAL HG1 H 0.990 0.009 2 882 172 178 VAL HG2 H 0.791 0.000 2 883 172 178 VAL C C 177.473 0.021 1 884 172 178 VAL CA C 61.600 0.003 1 885 172 178 VAL CB C 31.871 0.000 1 886 172 178 VAL CG1 C 23.669 0.039 2 887 172 178 VAL CG2 C 23.610 0.000 2 888 172 178 VAL N N 127.369 0.089 1 889 173 179 GLU H H 8.792 0.010 1 890 173 179 GLU C C 175.725 0.016 1 891 173 179 GLU CA C 59.459 0.005 1 892 173 179 GLU CB C 29.822 0.000 1 893 173 179 GLU N N 125.332 0.099 1 894 174 180 ASP H H 7.248 0.006 1 895 174 180 ASP C C 177.268 0.009 1 896 174 180 ASP CA C 53.585 0.011 1 897 174 180 ASP CB C 40.589 0.000 1 898 174 180 ASP N N 117.131 0.077 1 899 175 181 GLY H H 8.258 0.007 1 900 175 181 GLY C C 174.689 0.007 1 901 175 181 GLY CA C 45.391 0.037 1 902 175 181 GLY N N 108.757 0.075 1 903 176 182 SER H H 8.073 0.006 1 904 176 182 SER C C 172.726 0.010 1 905 176 182 SER CA C 58.458 0.014 1 906 176 182 SER CB C 64.614 0.000 1 907 176 182 SER N N 117.275 0.076 1 908 177 183 VAL H H 8.144 0.011 1 909 177 183 VAL HG1 H 0.823 0.000 2 910 177 183 VAL HG2 H 0.825 0.000 2 911 177 183 VAL C C 174.930 0.005 1 912 177 183 VAL CA C 61.276 0.004 1 913 177 183 VAL CB C 35.615 0.000 1 914 177 183 VAL CG1 C 21.389 0.000 2 915 177 183 VAL CG2 C 21.506 0.000 2 916 177 183 VAL N N 115.571 0.087 1 917 178 184 GLN H H 9.270 0.009 1 918 178 184 GLN C C 174.517 0.007 1 919 178 184 GLN CA C 52.933 0.002 1 920 178 184 GLN CB C 31.277 0.000 1 921 178 184 GLN N N 127.265 0.079 1 922 179 185 LEU H H 9.067 0.013 1 923 179 185 LEU C C 178.217 0.005 1 924 179 185 LEU CA C 55.279 0.005 1 925 179 185 LEU CB C 43.897 0.000 1 926 179 185 LEU N N 131.359 0.081 1 927 180 186 ALA H H 9.218 0.009 1 928 180 186 ALA HB H 0.898 0.000 1 929 180 186 ALA C C 177.236 0.025 1 930 180 186 ALA CA C 51.024 0.018 1 931 180 186 ALA CB C 21.681 0.000 1 932 180 186 ALA N N 126.733 0.072 1 933 181 187 ASP H H 8.921 0.006 1 934 181 187 ASP C C 175.057 0.006 1 935 181 187 ASP CA C 55.639 0.079 1 936 181 187 ASP CB C 42.196 0.000 1 937 181 187 ASP N N 131.585 0.113 1 938 182 188 HIS H H 9.640 0.009 1 939 182 188 HIS C C 173.902 0.009 1 940 182 188 HIS CA C 55.489 0.000 1 941 182 188 HIS CB C 30.172 0.000 1 942 182 188 HIS N N 123.736 0.094 1 943 183 189 TYR H H 8.731 0.007 1 944 183 189 TYR C C 174.723 0.033 1 945 183 189 TYR CA C 57.581 0.000 1 946 183 189 TYR CB C 40.030 0.000 1 947 183 189 TYR N N 123.139 0.072 1 948 184 190 GLN H H 8.989 0.009 1 949 184 190 GLN C C 173.178 0.002 1 950 184 190 GLN CA C 53.882 0.008 1 951 184 190 GLN CB C 34.024 0.000 1 952 184 190 GLN N N 126.284 0.069 1 953 185 191 GLN H H 8.996 0.007 1 954 185 191 GLN C C 174.861 0.003 1 955 185 191 GLN CA C 55.047 0.007 1 956 185 191 GLN CB C 33.454 0.000 1 957 185 191 GLN N N 123.426 0.155 1 958 186 192 ASN H H 8.774 0.006 1 959 186 192 ASN C C 173.863 0.012 1 960 186 192 ASN CA C 52.601 0.009 1 961 186 192 ASN CB C 41.637 0.000 1 962 186 192 ASN N N 120.626 0.077 1 963 187 193 THR H H 8.599 0.007 1 964 187 193 THR HG2 H 1.408 0.003 1 965 187 193 THR C C 171.523 0.000 1 966 187 193 THR CA C 58.766 0.000 1 967 187 193 THR CG2 C 22.595 0.000 1 968 187 193 THR N N 113.671 0.083 1 969 188 194 PRO C C 176.917 0.000 1 970 188 194 PRO CA C 63.940 0.000 1 971 188 194 PRO CB C 32.522 0.000 1 972 189 195 ILE H H 8.684 0.015 1 973 189 195 ILE HG2 H 0.880 0.004 1 974 189 195 ILE HD1 H 0.929 0.000 1 975 189 195 ILE C C 177.587 0.025 1 976 189 195 ILE CA C 64.309 0.004 1 977 189 195 ILE CB C 39.059 0.000 1 978 189 195 ILE CG2 C 17.024 0.020 1 979 189 195 ILE CD1 C 13.729 0.000 1 980 189 195 ILE N N 123.840 0.132 1 981 190 196 GLY H H 9.224 0.011 1 982 190 196 GLY C C 173.653 0.003 1 983 190 196 GLY CA C 44.296 0.046 1 984 190 196 GLY N N 109.854 0.119 1 985 191 197 ASP H H 8.287 0.010 1 986 191 197 ASP C C 177.316 0.001 1 987 191 197 ASP CA C 53.894 0.010 1 988 191 197 ASP CB C 41.685 0.000 1 989 191 197 ASP N N 117.223 0.080 1 990 192 198 GLY H H 8.336 0.010 1 991 192 198 GLY C C 171.716 0.000 1 992 192 198 GLY CA C 44.696 0.000 1 993 192 198 GLY N N 109.574 0.095 1 994 193 199 PRO C C 176.933 0.000 1 995 193 199 PRO CA C 63.253 0.000 1 996 193 199 PRO CB C 31.821 0.000 1 997 194 200 VAL H H 7.995 0.012 1 998 194 200 VAL HG1 H 0.863 0.000 2 999 194 200 VAL HG2 H 0.800 0.000 2 1000 194 200 VAL C C 175.354 0.016 1 1001 194 200 VAL CA C 59.861 0.013 1 1002 194 200 VAL CB C 35.141 0.000 1 1003 194 200 VAL CG1 C 18.841 0.000 2 1004 194 200 VAL CG2 C 21.711 0.000 2 1005 194 200 VAL N N 116.743 0.083 1 1006 195 201 LEU H H 8.003 0.008 1 1007 195 201 LEU HD1 H 0.779 0.000 1 1008 195 201 LEU C C 174.938 0.001 1 1009 195 201 LEU CA C 54.027 0.019 1 1010 195 201 LEU CB C 41.148 0.000 1 1011 195 201 LEU CD1 C 22.974 0.000 1 1012 195 201 LEU N N 123.044 0.106 1 1013 196 202 LEU H H 7.997 0.011 1 1014 196 202 LEU C C 176.065 0.038 1 1015 196 202 LEU CA C 50.551 0.000 1 1016 196 202 LEU N N 121.800 0.139 1 1017 198 204 ASP H H 9.301 0.020 1 1018 198 204 ASP C C 175.858 0.000 1 1019 198 204 ASP CA C 53.989 0.000 1 1020 198 204 ASP CB C 41.636 0.000 1 1021 198 204 ASP N N 120.759 0.073 1 1022 199 205 ASN H H 8.746 0.009 1 1023 199 205 ASN C C 175.274 0.002 1 1024 199 205 ASN CA C 54.090 0.000 1 1025 199 205 ASN CB C 37.784 0.000 1 1026 199 205 ASN N N 121.141 0.077 1 1027 200 206 HIS H H 8.127 0.009 1 1028 200 206 HIS C C 170.940 0.000 1 1029 200 206 HIS CA C 56.154 0.005 1 1030 200 206 HIS CB C 28.969 0.000 1 1031 200 206 HIS N N 117.135 0.076 1 1032 201 207 TYR H H 8.545 0.013 1 1033 201 207 TYR C C 174.881 0.000 1 1034 201 207 TYR N N 115.380 0.093 1 1035 202 208 LEU C C 176.222 0.000 1 1036 202 208 LEU CA C 53.316 0.000 1 1037 202 208 LEU CB C 42.822 0.000 1 1038 203 209 SER H H 9.166 0.009 1 1039 203 209 SER C C 175.095 0.000 1 1040 203 209 SER CA C 56.911 0.000 1 1041 203 209 SER CB C 64.698 0.000 1 1042 203 209 SER N N 118.276 0.111 1 1043 204 210 THR H H 8.401 0.008 1 1044 204 210 THR C C 173.989 0.000 1 1045 204 210 THR CA C 60.342 0.000 1 1046 204 210 THR N N 117.788 0.073 1 1047 205 211 GLN CA C 56.635 0.000 1 1048 206 212 SER H H 9.046 0.013 1 1049 206 212 SER C C 172.816 0.004 1 1050 206 212 SER CA C 58.700 0.009 1 1051 206 212 SER CB C 67.321 0.000 1 1052 206 212 SER N N 119.149 0.092 1 1053 207 213 LYS H H 9.331 0.007 1 1054 207 213 LYS C C 175.155 0.055 1 1055 207 213 LYS CA C 55.480 0.006 1 1056 207 213 LYS CB C 35.659 0.000 1 1057 207 213 LYS N N 123.641 0.081 1 1058 208 214 LEU H H 8.869 0.011 1 1059 208 214 LEU C C 176.763 0.002 1 1060 208 214 LEU CA C 54.633 0.011 1 1061 208 214 LEU CB C 42.730 0.000 1 1062 208 214 LEU N N 129.446 0.077 1 1063 209 215 SER H H 9.485 0.009 1 1064 209 215 SER C C 175.048 0.000 1 1065 209 215 SER CA C 57.604 0.000 1 1066 209 215 SER N N 115.505 0.092 1 1067 212 218 PRO C C 177.044 0.000 1 1068 212 218 PRO CA C 64.362 0.000 1 1069 212 218 PRO CB C 32.406 0.000 1 1070 213 219 ASN H H 8.202 0.007 1 1071 213 219 ASN C C 174.439 0.000 1 1072 213 219 ASN CA C 53.156 0.000 1 1073 213 219 ASN CB C 39.503 0.000 1 1074 213 219 ASN N N 114.343 0.097 1 1075 214 220 GLU H H 7.471 0.006 1 1076 214 220 GLU C C 174.876 0.000 1 1077 214 220 GLU CA C 55.084 0.000 1 1078 214 220 GLU N N 122.192 0.141 1 1079 215 221 LYS C C 178.624 0.000 1 1080 215 221 LYS CA C 56.725 0.000 1 1081 215 221 LYS CB C 33.030 0.000 1 1082 216 222 ARG H H 8.996 0.009 1 1083 216 222 ARG C C 175.874 0.003 1 1084 216 222 ARG CA C 56.583 0.080 1 1085 216 222 ARG CB C 30.796 0.000 1 1086 216 222 ARG N N 120.405 0.135 1 1087 217 223 ASP H H 9.237 0.009 1 1088 217 223 ASP C C 177.039 0.000 1 1089 217 223 ASP CA C 55.738 0.002 1 1090 217 223 ASP N N 125.056 0.142 1 1091 218 224 HIS H H 8.422 0.011 1 1092 218 224 HIS C C 169.664 0.003 1 1093 218 224 HIS CA C 56.673 0.001 1 1094 218 224 HIS CB C 33.401 0.000 1 1095 218 224 HIS N N 124.250 0.070 1 1096 219 225 MET H H 7.766 0.007 1 1097 219 225 MET C C 174.316 0.018 1 1098 219 225 MET CA C 54.928 0.000 1 1099 219 225 MET CB C 37.301 0.000 1 1100 219 225 MET N N 116.145 0.104 1 1101 220 226 VAL H H 7.620 0.008 1 1102 220 226 VAL HG1 H 0.965 0.000 2 1103 220 226 VAL HG2 H 0.857 0.000 2 1104 220 226 VAL C C 173.387 0.014 1 1105 220 226 VAL CA C 62.703 0.004 1 1106 220 226 VAL CB C 31.279 0.000 1 1107 220 226 VAL CG1 C 21.489 0.000 2 1108 220 226 VAL CG2 C 20.848 0.000 2 1109 220 226 VAL N N 127.549 0.146 1 1110 221 227 LEU H H 9.271 0.009 1 1111 221 227 LEU C C 172.994 0.003 1 1112 221 227 LEU CA C 53.412 0.004 1 1113 221 227 LEU CB C 48.230 0.000 1 1114 221 227 LEU N N 129.633 0.090 1 1115 222 228 LEU H H 8.530 0.008 1 1116 222 228 LEU C C 175.972 0.010 1 1117 222 228 LEU CA C 53.685 0.120 1 1118 222 228 LEU CB C 44.922 0.000 1 1119 222 228 LEU N N 129.211 0.070 1 1120 223 229 GLU H H 8.617 0.010 1 1121 223 229 GLU C C 173.928 0.007 1 1122 223 229 GLU CA C 54.125 0.000 1 1123 223 229 GLU CB C 33.986 0.000 1 1124 223 229 GLU N N 122.881 0.184 1 1125 224 230 PHE H H 8.927 0.008 1 1126 224 230 PHE C C 176.180 0.023 1 1127 224 230 PHE CA C 55.978 0.013 1 1128 224 230 PHE CB C 42.052 0.000 1 1129 224 230 PHE N N 121.516 0.071 1 1130 225 231 VAL H H 9.248 0.018 1 1131 225 231 VAL HG1 H 0.626 0.000 2 1132 225 231 VAL HG2 H 0.571 0.000 2 1133 225 231 VAL C C 174.967 0.002 1 1134 225 231 VAL CA C 61.308 0.010 1 1135 225 231 VAL CB C 35.128 0.000 1 1136 225 231 VAL CG1 C 22.720 0.000 2 1137 225 231 VAL CG2 C 20.793 0.000 2 1138 225 231 VAL N N 123.948 0.163 1 1139 226 232 THR H H 8.327 0.010 1 1140 226 232 THR HG2 H 1.208 0.000 1 1141 226 232 THR C C 172.339 0.010 1 1142 226 232 THR CA C 60.092 0.011 1 1143 226 232 THR CB C 71.763 0.000 1 1144 226 232 THR CG2 C 20.955 0.000 1 1145 226 232 THR N N 120.214 0.084 1 1146 227 233 ALA H H 8.351 0.009 1 1147 227 233 ALA HB H 0.419 0.000 1 1148 227 233 ALA C C 176.013 0.031 1 1149 227 233 ALA CA C 51.501 0.002 1 1150 227 233 ALA CB C 19.626 0.000 1 1151 227 233 ALA N N 128.387 0.067 1 1152 228 234 ALA H H 8.626 0.009 1 1153 228 234 ALA HB H 1.064 0.000 1 1154 228 234 ALA C C 176.176 0.000 1 1155 228 234 ALA CA C 51.977 0.000 1 1156 228 234 ALA CB C 21.879 0.000 1 1157 228 234 ALA N N 122.154 0.100 1 1158 235 241 ASP C C 176.726 0.036 1 1159 235 241 ASP CA C 55.085 0.000 1 1160 235 241 ASP CB C 41.124 0.000 1 1161 236 242 GLU H H 8.242 0.007 1 1162 236 242 GLU CA C 57.350 0.000 1 1163 236 242 GLU N N 120.108 0.148 1 stop_ save_