data_27348 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N assignment of C', CA, N and HN of intrinsically disordered alpha-synuclein near-phsysiological conditions ; _BMRB_accession_number 27348 _BMRB_flat_file_name bmr27348.str _Entry_type original _Submission_date 2017-12-22 _Accession_date 2017-12-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details "1H, 13C and 15N assignment of C', CA, N and HN of intrinsically disordered alpha-synuclein near-phsysiological conditions." loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schiavina Marco . . 2 Murrali 'Maria Grazia' . . 3 Sainati Valerio . . 4 Bermel Wolfgang . . 5 Pierattelli Roberta . . 6 Felli Isabella C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 93 "13C chemical shifts" 273 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-24 update BMRB 'update entry citation' 2018-03-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 6968 'intrinsically disordered alpha-synuclein' stop_ _Original_release_date 2017-12-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 13C APSY-NMR for sequential assignment of intrinsically disordered proteins ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29492731 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Murrali 'Maria Grazia' G. . 2 Schiavina Marco . . 3 Sainati Valerio . . 4 Bermel Wolfgang . . 5 Pierattelli Roberta . . 6 Felli Isabella C. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 70 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 167 _Page_last 175 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'intrinsically disordered alpha-synuclein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'intrinsically disordered alpha-synuclein' $intrinsically_disordered_alpha-synuclein stop_ _System_molecular_weight 14460 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'intrinsically disordered alpha-synuclein' save_ ######################## # Monomeric polymers # ######################## save_intrinsically_disordered_alpha-synuclein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common intrinsically_disordered_alpha-synuclein _Molecular_mass . _Mol_thiol_state 'not present' _Details 'intrinsically disordered alpha-synuclein' ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVATVAEKTK EQVTNVGGAVVTGVTAVAQK TVEGAGSIAAATGFVKKDQL GKNEEGAPQEGILEDMPVDP DNEAYEMPSEEGYQDYEPEA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 VAL 4 PHE 5 MET 6 LYS 7 GLY 8 LEU 9 SER 10 LYS 11 ALA 12 LYS 13 GLU 14 GLY 15 VAL 16 VAL 17 ALA 18 ALA 19 ALA 20 GLU 21 LYS 22 THR 23 LYS 24 GLN 25 GLY 26 VAL 27 ALA 28 GLU 29 ALA 30 ALA 31 GLY 32 LYS 33 THR 34 LYS 35 GLU 36 GLY 37 VAL 38 LEU 39 TYR 40 VAL 41 GLY 42 SER 43 LYS 44 THR 45 LYS 46 GLU 47 GLY 48 VAL 49 VAL 50 HIS 51 GLY 52 VAL 53 ALA 54 THR 55 VAL 56 ALA 57 GLU 58 LYS 59 THR 60 LYS 61 GLU 62 GLN 63 VAL 64 THR 65 ASN 66 VAL 67 GLY 68 GLY 69 ALA 70 VAL 71 VAL 72 THR 73 GLY 74 VAL 75 THR 76 ALA 77 VAL 78 ALA 79 GLN 80 LYS 81 THR 82 VAL 83 GLU 84 GLY 85 ALA 86 GLY 87 SER 88 ILE 89 ALA 90 ALA 91 ALA 92 THR 93 GLY 94 PHE 95 VAL 96 LYS 97 LYS 98 ASP 99 GLN 100 LEU 101 GLY 102 LYS 103 ASN 104 GLU 105 GLU 106 GLY 107 ALA 108 PRO 109 GLN 110 GLU 111 GLY 112 ILE 113 LEU 114 GLU 115 ASP 116 MET 117 PRO 118 VAL 119 ASP 120 PRO 121 ASP 122 ASN 123 GLU 124 ALA 125 TYR 126 GLU 127 MET 128 PRO 129 SER 130 GLU 131 GLU 132 GLY 133 TYR 134 GLN 135 ASP 136 TYR 137 GLU 138 PRO 139 GLU 140 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $intrinsically_disordered_alpha-synuclein Human 9606 Eukaryota Metazoa Homo sapiens SNCA stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $intrinsically_disordered_alpha-synuclein 'recombinant technology' . Escherichia coli BL21 'Gold (DE3)' pT7-7 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; The NMR sample contained 1.0 mM uniformly 13C-15N labeled alpha-synuclein, 20 mM phosphate buffer, 0.5 mM EDTA, 200 mM NaCl in 90% H2O/10% D2O at pH 6.5 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $intrinsically_disordered_alpha-synuclein 1.0 mM '[U-13C; U-15N]' KPI 20 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' NaCl 200 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 4.0.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance NEO' _Field_strength 700 _Details 'The 700 MHz NMR spectrometer was equipped with a TXO cryoprobe optimized for 13C direct detection' save_ ############################# # NMR applied experiments # ############################# save_5D_APSY-(HCA)CONCACON_1 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-(HCA)CONCACON' _Sample_label $sample_1 save_ save_3D_APSY-HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D APSY-HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_CON_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CON' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; The NMR sample contained 1.0 mM uniformly 13C-15N labeled alpha-synuclein, 20 mM phosphate buffer, 0.5 mM EDTA, 200 mM NaCl in 90% H2O/10% D2O at pH 6.5 ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH temperature 315 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.000000000 DSS N 15 'methylene protons' ppm 0 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 ; assignment obtained for 13C-15N alpha-synuclein at 315 K with 5D APSY (HCA)CONCACON, 3D APSY HNCO, 2D 1H-15N HSQC, 2D CON experiments. The NMR sample contained 1.0 mM uniformly 13C-15N labeled a-synuclein, 20 mM phosphate buffer, 0.5 mM EDTA, 200 mM NaCl in 90% H2O/10% D2O at pH 6.5. ; loop_ _Experiment_label '5D APSY-(HCA)CONCACON' '3D APSY-HNCO' '2D 1H-15N HSQC' '2D CON' 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 'intrinsically disordered alpha-synuclein' _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 1 MET C C 173.29 . . 2 2 2 ASP C C 175.78 . . 3 2 2 ASP CA C 54.27 . . 4 2 2 ASP N N 124.27 . . 5 3 3 VAL H H 8.05 . . 6 3 3 VAL C C 175.75 . . 7 3 3 VAL CA C 62.53 . . 8 3 3 VAL N N 119.66 . . 9 4 4 PHE H H 8.17 . . 10 4 4 PHE C C 175.75 . . 11 4 4 PHE CA C 57.87 . . 12 4 4 PHE N N 122.81 . . 13 5 5 MET C C 175.84 . . 14 5 5 MET N N 121.66 . . 15 6 6 LYS C C 176.96 . . 16 6 6 LYS CA C 56.88 . . 17 6 6 LYS N N 121.96 . . 18 7 7 GLY C C 174.11 . . 19 7 7 GLY CA C 45.43 . . 20 7 7 GLY N N 109.48 . . 21 8 8 LEU H H 7.90 . . 22 8 8 LEU C C 177.42 . . 23 8 8 LEU CA C 55.23 . . 24 8 8 LEU N N 121.41 . . 25 9 9 SER C C 174.50 . . 26 9 9 SER CA C 58.40 . . 27 9 9 SER N N 116.23 . . 28 10 10 LYS H H 8.18 . . 29 10 10 LYS C C 176.24 . . 30 10 10 LYS N N 123.09 . . 31 11 11 ALA C C 177.68 . . 32 11 11 ALA CA C 52.62 . . 33 11 11 ALA N N 124.65 . . 34 12 12 LYS H H 8.13 . . 35 12 12 LYS C C 176.38 . . 36 12 12 LYS CA C 56.41 . . 37 12 12 LYS N N 120.25 . . 38 13 13 GLU H H 8.31 . . 39 13 13 GLU C C 176.85 . . 40 13 13 GLU CA C 56.85 . . 41 13 13 GLU N N 121.54 . . 42 14 14 GLY H H 8.28 . . 43 14 14 GLY C C 173.97 . . 44 14 14 GLY CA C 45.40 . . 45 14 14 GLY N N 109.58 . . 46 15 15 VAL H H 7.82 . . 47 15 15 VAL C C 176.18 . . 48 15 15 VAL CA C 62.46 . . 49 15 15 VAL N N 119.48 . . 50 16 16 VAL H H 8.06 . . 51 16 16 VAL C C 175.76 . . 52 16 16 VAL CA C 62.31 . . 53 16 16 VAL N N 123.93 . . 54 17 17 ALA H H 8.24 . . 55 17 17 ALA C C 177.37 . . 56 17 17 ALA CA C 52.45 . . 57 17 17 ALA N N 127.81 . . 58 18 18 ALA H H 8.11 . . 59 18 18 ALA C C 177.64 . . 60 18 18 ALA CA C 52.67 . . 61 18 18 ALA N N 123.28 . . 62 19 19 ALA H H 8.11 . . 63 19 19 ALA C C 177.91 . . 64 19 19 ALA CA C 52.71 . . 65 19 19 ALA N N 122.68 . . 66 20 20 GLU H H 8.19 . . 67 20 20 GLU C C 176.74 . . 68 20 20 GLU CA C 56.80 . . 69 20 20 GLU N N 119.51 . . 70 21 21 LYS C C 176.88 . . 71 21 21 LYS CA C 56.66 . . 72 21 21 LYS N N 121.58 . . 73 22 22 THR C C 174.54 . . 74 22 22 THR CA C 62.11 . . 75 22 22 THR N N 114.35 . . 76 23 23 LYS C C 176.40 . . 77 23 23 LYS N N 123.24 . . 78 24 24 GLN C C 176.37 . . 79 24 24 GLN CA C 56.12 . . 80 24 24 GLN N N 121.14 . . 81 25 25 GLY C C 174.08 . . 82 25 25 GLY CA C 45.42 . . 83 25 25 GLY N N 110.13 . . 84 26 26 VAL H H 7.84 . . 85 26 26 VAL C C 176.03 . . 86 26 26 VAL CA C 62.35 . . 87 26 26 VAL N N 119.02 . . 88 27 27 ALA H H 8.27 . . 89 27 27 ALA C C 177.79 . . 90 27 27 ALA CA C 52.69 . . 91 27 27 ALA N N 127.02 . . 92 28 28 GLU H H 8.23 . . 93 28 28 GLU C C 176.39 . . 94 28 28 GLU CA C 56.82 . . 95 28 28 GLU N N 120.13 . . 96 29 29 ALA H H 8.13 . . 97 29 29 ALA C C 177.45 . . 98 29 29 ALA CA C 52.57 . . 99 29 29 ALA N N 124.53 . . 100 30 30 ALA H H 8.09 . . 101 30 30 ALA C C 178.21 . . 102 30 30 ALA CA C 52.73 . . 103 30 30 ALA N N 122.78 . . 104 31 31 GLY C C 174.13 . . 105 31 31 GLY CA C 45.42 . . 106 31 31 GLY N N 107.52 . . 107 32 32 LYS C C 176.79 . . 108 32 32 LYS CA C 56.27 . . 109 32 32 LYS N N 120.48 . . 110 33 33 THR C C 174.50 . . 111 33 33 THR N N 114.91 . . 112 34 34 LYS C C 176.33 . . 113 34 34 LYS CA C 56.52 . . 114 34 34 LYS N N 123.26 . . 115 35 35 GLU H H 8.30 . . 116 35 35 GLU C C 176.81 . . 117 35 35 GLU CA C 56.88 . . 118 35 35 GLU N N 121.56 . . 119 36 36 GLY H H 8.28 . . 120 36 36 GLY C C 173.95 . . 121 36 36 GLY CA C 45.40 . . 122 36 36 GLY N N 109.53 . . 123 37 37 VAL H H 7.91 . . 124 37 37 VAL C C 175.67 . . 125 37 37 VAL CA C 62.24 . . 126 37 37 VAL N N 118.94 . . 127 38 38 LEU H H 8.09 . . 128 38 38 LEU C C 176.50 . . 129 38 38 LEU CA C 55.04 . . 130 38 38 LEU N N 125.07 . . 131 39 39 TYR H H 8.06 . . 132 39 39 TYR C C 175.48 . . 133 39 39 TYR CA C 57.67 . . 134 39 39 TYR N N 121.54 . . 135 40 40 VAL H H 7.92 . . 136 40 40 VAL C C 176.11 . . 137 40 40 VAL CA C 62.20 . . 138 40 40 VAL N N 122.05 . . 139 41 41 GLY C C 173.94 . . 140 41 41 GLY CA C 45.27 . . 141 41 41 GLY N N 111.70 . . 142 42 42 SER C C 174.62 . . 143 42 42 SER CA C 58.34 . . 144 42 42 SER N N 115.42 . . 145 43 43 LYS C C 176.68 . . 146 43 43 LYS CA C 56.44 . . 147 43 43 LYS N N 123.05 . . 148 44 44 THR C C 174.55 . . 149 44 44 THR CA C 61.81 . . 150 44 44 THR N N 114.68 . . 151 45 45 LYS C C 176.40 . . 152 45 45 LYS CA C 56.51 . . 153 45 45 LYS N N 123.25 . . 154 46 46 GLU C C 176.80 . . 155 46 46 GLU CA C 56.51 . . 156 46 46 GLU N N 121.17 . . 157 47 47 GLY H H 8.28 . . 158 47 47 GLY C C 173.83 . . 159 47 47 GLY CA C 45.36 . . 160 47 47 GLY N N 109.59 . . 161 48 48 VAL H H 7.76 . . 162 48 48 VAL C C 175.87 . . 163 48 48 VAL CA C 62.21 . . 164 48 48 VAL N N 119.31 . . 165 49 49 VAL H H 8.08 . . 166 49 49 VAL C C 175.69 . . 167 49 49 VAL CA C 62.16 . . 168 49 49 VAL N N 123.79 . . 169 50 50 HIS C C 175.34 . . 170 50 50 HIS CA C 55.88 . . 171 50 50 HIS N N 123.36 . . 172 51 51 GLY C C 173.74 . . 173 51 51 GLY CA C 45.33 . . 174 51 51 GLY N N 110.17 . . 175 52 52 VAL H H 7.89 . . 176 52 52 VAL C C 175.73 . . 177 52 52 VAL CA C 62.00 . . 178 52 52 VAL N N 118.99 . . 179 53 53 ALA H H 8.30 . . 180 53 53 ALA C C 177.63 . . 181 53 53 ALA CA C 52.42 . . 182 53 53 ALA N N 127.39 . . 183 54 54 THR H H 8.02 . . 184 54 54 THR C C 174.46 . . 185 54 54 THR CA C 61.76 . . 186 54 54 THR N N 113.87 . . 187 55 55 VAL H H 8.01 . . 188 55 55 VAL C C 175.69 . . 189 55 55 VAL CA C 62.25 . . 190 55 55 VAL N N 121.96 . . 191 56 56 ALA H H 8.22 . . 192 56 56 ALA C C 177.56 . . 193 56 56 ALA CA C 52.54 . . 194 56 56 ALA N N 127.36 . . 195 57 57 GLU H H 8.20 . . 196 57 57 GLU C C 176.54 . . 197 57 57 GLU CA C 56.73 . . 198 57 57 GLU N N 120.26 . . 199 58 58 LYS H H 8.23 . . 200 58 58 LYS C C 176.78 . . 201 58 58 LYS CA C 56.47 . . 202 58 58 LYS N N 121.94 . . 203 59 59 THR C C 174.55 . . 204 59 59 THR CA C 62.03 . . 205 59 59 THR N N 114.88 . . 206 60 60 LYS C C 176.47 . . 207 60 60 LYS CA C 56.66 . . 208 60 60 LYS N N 123.06 . . 209 61 61 GLU H H 8.27 . . 210 61 61 GLU C C 176.27 . . 211 61 61 GLU CA C 56.77 . . 212 61 61 GLU N N 121.53 . . 213 62 62 GLN H H 8.24 . . 214 62 62 GLN C C 175.80 . . 215 62 62 GLN CA C 55.83 . . 216 62 62 GLN N N 121.11 . . 217 63 63 VAL H H 8.09 . . 218 63 63 VAL C C 176.14 . . 219 63 63 VAL CA C 62.35 . . 220 63 63 VAL N N 121.04 . . 221 64 64 THR C C 174.00 . . 222 64 64 THR CA C 61.70 . . 223 64 64 THR N N 117.14 . . 224 65 65 ASN C C 175.03 . . 225 65 65 ASN CA C 53.16 . . 226 65 65 ASN N N 121.39 . . 227 66 66 VAL H H 8.04 . . 228 66 66 VAL C C 176.58 . . 229 66 66 VAL CA C 62.53 . . 230 66 66 VAL N N 119.98 . . 231 67 67 GLY C C 174.53 . . 232 67 67 GLY CA C 45.39 . . 233 67 67 GLY N N 112.04 . . 234 68 68 GLY C C 173.67 . . 235 68 68 GLY CA C 45.16 . . 236 68 68 GLY N N 108.62 . . 237 69 69 ALA H H 8.02 . . 238 69 69 ALA C C 177.44 . . 239 69 69 ALA CA C 52.31 . . 240 69 69 ALA N N 123.61 . . 241 70 70 VAL H H 8.00 . . 242 70 70 VAL C C 176.11 . . 243 70 70 VAL CA C 62.36 . . 244 70 70 VAL N N 119.54 . . 245 71 71 VAL H H 8.15 . . 246 71 71 VAL C C 176.09 . . 247 71 71 VAL CA C 62.13 . . 248 71 71 VAL N N 124.05 . . 249 72 72 THR H H 8.10 . . 250 72 72 THR C C 174.81 . . 251 72 72 THR CA C 61.74 . . 252 72 72 THR N N 117.52 . . 253 73 73 GLY C C 173.99 . . 254 73 73 GLY CA C 45.37 . . 255 73 73 GLY N N 110.91 . . 256 74 74 VAL H H 7.75 . . 257 74 74 VAL C C 176.33 . . 258 74 74 VAL CA C 62.37 . . 259 74 74 VAL N N 118.94 . . 260 75 75 THR C C 174.04 . . 261 75 75 THR CA C 61.84 . . 262 75 75 THR N N 117.57 . . 263 76 76 ALA C C 177.40 . . 264 76 76 ALA CA C 52.48 . . 265 76 76 ALA N N 126.58 . . 266 77 77 VAL H H 7.91 . . 267 77 77 VAL C C 175.83 . . 268 77 77 VAL CA C 62.23 . . 269 77 77 VAL N N 118.90 . . 270 78 78 ALA H H 8.18 . . 271 78 78 ALA C C 177.43 . . 272 78 78 ALA CA C 52.47 . . 273 78 78 ALA N N 127.18 . . 274 79 79 GLN H H 8.17 . . 275 79 79 GLN C C 175.78 . . 276 79 79 GLN CA C 55.80 . . 277 79 79 GLN N N 119.61 . . 278 80 80 LYS C C 176.49 . . 279 80 80 LYS CA C 56.38 . . 280 80 80 LYS N N 122.41 . . 281 81 81 THR C C 174.35 . . 282 81 81 THR CA C 61.78 . . 283 81 81 THR N N 115.85 . . 284 82 82 VAL H H 8.08 . . 285 82 82 VAL C C 175.94 . . 286 82 82 VAL CA C 62.22 . . 287 82 82 VAL N N 122.05 . . 288 83 83 GLU H H 8.39 . . 289 83 83 GLU C C 176.87 . . 290 83 83 GLU CA C 56.81 . . 291 83 83 GLU N N 124.55 . . 292 84 84 GLY C C 174.01 . . 293 84 84 GLY CA C 45.35 . . 294 84 84 GLY N N 110.20 . . 295 85 85 ALA C C 178.23 . . 296 85 85 ALA CA C 52.75 . . 297 85 85 ALA N N 123.77 . . 298 86 86 GLY C C 174.23 . . 299 86 86 GLY CA C 45.38 . . 300 86 86 GLY N N 107.80 . . 301 87 87 SER C C 174.63 . . 302 87 87 SER CA C 58.31 . . 303 87 87 SER N N 115.43 . . 304 88 88 ILE H H 8.02 . . 305 88 88 ILE C C 176.04 . . 306 88 88 ILE CA C 61.34 . . 307 88 88 ILE N N 122.12 . . 308 89 89 ALA H H 8.16 . . 309 89 89 ALA C C 177.36 . . 310 89 89 ALA CA C 52.57 . . 311 89 89 ALA N N 127.30 . . 312 90 90 ALA H H 8.00 . . 313 90 90 ALA C C 177.52 . . 314 90 90 ALA CA C 52.43 . . 315 90 90 ALA N N 122.81 . . 316 91 91 ALA H H 8.10 . . 317 91 91 ALA C C 177.90 . . 318 91 91 ALA CA C 52.62 . . 319 91 91 ALA N N 122.84 . . 320 92 92 THR H H 7.91 . . 321 92 92 THR C C 175.00 . . 322 92 92 THR CA C 61.91 . . 323 92 92 THR N N 111.91 . . 324 93 93 GLY C C 173.58 . . 325 93 93 GLY CA C 45.29 . . 326 93 93 GLY N N 110.33 . . 327 94 94 PHE H H 7.95 . . 328 94 94 PHE C C 175.34 . . 329 94 94 PHE CA C 57.66 . . 330 94 94 PHE N N 119.98 . . 331 95 95 VAL H H 7.90 . . 332 95 95 VAL C C 175.47 . . 333 95 95 VAL CA C 62.04 . . 334 95 95 VAL N N 122.39 . . 335 96 96 LYS H H 8.20 . . 336 96 96 LYS C C 176.35 . . 337 96 96 LYS CA C 56.26 . . 338 96 96 LYS N N 125.54 . . 339 97 97 LYS C C 176.23 . . 340 97 97 LYS CA C 56.63 . . 341 97 97 LYS N N 123.10 . . 342 98 98 ASP H H 8.26 . . 343 98 98 ASP C C 176.11 . . 344 98 98 ASP CA C 54.49 . . 345 98 98 ASP N N 120.68 . . 346 99 99 GLN H H 8.17 . . 347 99 99 GLN C C 175.86 . . 348 99 99 GLN CA C 55.88 . . 349 99 99 GLN N N 119.75 . . 350 100 100 LEU H H 8.10 . . 351 100 100 LEU C C 177.79 . . 352 100 100 LEU CA C 55.43 . . 353 100 100 LEU N N 122.42 . . 354 101 101 GLY H H 8.32 . . 355 101 101 GLY C C 174.40 . . 356 101 101 GLY CA C 45.38 . . 357 101 101 GLY N N 109.38 . . 358 102 102 LYS H H 8.04 . . 359 102 102 LYS C C 176.27 . . 360 102 102 LYS CA C 56.22 . . 361 102 102 LYS N N 120.50 . . 362 103 103 ASN C C 175.10 . . 363 103 103 ASN CA C 53.33 . . 364 103 103 ASN N N 119.74 . . 365 104 104 GLU H H 8.31 . . 366 104 104 GLU C C 176.37 . . 367 104 104 GLU CA C 56.70 . . 368 104 104 GLU N N 121.22 . . 369 105 105 GLU H H 8.30 . . 370 105 105 GLU C C 176.86 . . 371 105 105 GLU CA C 56.70 . . 372 105 105 GLU N N 121.22 . . 373 106 106 GLY H H 8.26 . . 374 106 106 GLY C C 173.32 . . 375 106 106 GLY CA C 45.09 . . 376 106 106 GLY N N 109.75 . . 377 107 107 ALA H H 7.98 . . 378 107 107 ALA C C 175.48 . . 379 107 107 ALA CA C 50.40 . . 380 107 107 ALA N N 124.71 . . 381 108 108 PRO C C 176.97 . . 382 108 108 PRO CA C 63.13 . . 383 108 108 PRO N N 135.75 . . 384 109 109 GLN H H 8.39 . . 385 109 109 GLN C C 175.85 . . 386 109 109 GLN CA C 55.81 . . 387 109 109 GLN N N 120.56 . . 388 110 110 GLU H H 8.33 . . 389 110 110 GLU C C 176.73 . . 390 110 110 GLU CA C 56.69 . . 391 110 110 GLU N N 121.84 . . 392 111 111 GLY H H 8.32 . . 393 111 111 GLY C C 173.75 . . 394 111 111 GLY CA C 45.36 . . 395 111 111 GLY N N 109.76 . . 396 112 112 ILE H H 7.82 . . 397 112 112 ILE C C 176.00 . . 398 112 112 ILE CA C 60.95 . . 399 112 112 ILE N N 119.62 . . 400 113 113 LEU H H 8.20 . . 401 113 113 LEU C C 176.98 . . 402 113 113 LEU CA C 55.03 . . 403 113 113 LEU N N 126.15 . . 404 114 114 GLU H H 8.24 . . 405 114 114 GLU C C 175.75 . . 406 114 114 GLU CA C 56.55 . . 407 114 114 GLU N N 121.72 . . 408 115 115 ASP H H 8.19 . . 409 115 115 ASP C C 175.57 . . 410 115 115 ASP CA C 54.19 . . 411 115 115 ASP N N 120.91 . . 412 116 116 MET H H 8.05 . . 413 116 116 MET C C 173.92 . . 414 116 116 MET CA C 53.21 . . 415 116 116 MET N N 121.45 . . 416 117 117 PRO C C 176.56 . . 417 117 117 PRO CA C 62.93 . . 418 117 117 PRO N N 137.16 . . 419 118 118 VAL H H 8.04 . . 420 118 118 VAL C C 175.49 . . 421 118 118 VAL CA C 61.85 . . 422 118 118 VAL N N 119.94 . . 423 119 119 ASP H H 8.27 . . 424 119 119 ASP C C 174.61 . . 425 119 119 ASP CA C 52.05 . . 426 119 119 ASP N N 125.04 . . 427 120 120 PRO C C 176.86 . . 428 120 120 PRO CA C 63.55 . . 429 120 120 PRO N N 136.18 . . 430 121 121 ASP H H 8.25 . . 431 121 121 ASP C C 176.11 . . 432 121 121 ASP CA C 54.57 . . 433 121 121 ASP N N 119.08 . . 434 122 122 ASN H H 8.01 . . 435 122 122 ASN C C 175.23 . . 436 122 122 ASN CA C 53.49 . . 437 122 122 ASN N N 118.72 . . 438 123 123 GLU H H 8.24 . . 439 123 123 GLU C C 175.96 . . 440 123 123 GLU CA C 56.87 . . 441 123 123 GLU N N 121.37 . . 442 124 124 ALA H H 8.06 . . 443 124 124 ALA C C 177.06 . . 444 124 124 ALA CA C 52.35 . . 445 124 124 ALA N N 123.97 . . 446 125 125 TYR H H 7.85 . . 447 125 125 TYR C C 175.28 . . 448 125 125 TYR CA C 57.61 . . 449 125 125 TYR N N 119.27 . . 450 126 126 GLU H H 8.02 . . 451 126 126 GLU C C 175.46 . . 452 126 126 GLU CA C 55.87 . . 453 126 126 GLU N N 122.90 . . 454 127 127 MET H H 8.21 . . 455 127 127 MET C C 174.08 . . 456 127 127 MET CA C 53.25 . . 457 127 127 MET N N 123.08 . . 458 128 128 PRO C C 176.80 . . 459 128 128 PRO CA C 63.11 . . 460 128 128 PRO N N 137.36 . . 461 129 129 SER H H 8.27 . . 462 129 129 SER C C 174.67 . . 463 129 129 SER CA C 58.21 . . 464 129 129 SER N N 116.14 . . 465 130 130 GLU H H 8.40 . . 466 130 130 GLU C C 176.40 . . 467 130 130 GLU CA C 56.64 . . 468 130 130 GLU N N 122.75 . . 469 131 131 GLU H H 8.31 . . 470 131 131 GLU C C 176.82 . . 471 131 131 GLU CA C 56.85 . . 472 131 131 GLU N N 121.46 . . 473 132 132 GLY H H 8.23 . . 474 132 132 GLY C C 173.77 . . 475 132 132 GLY CA C 45.26 . . 476 132 132 GLY N N 109.38 . . 477 133 133 TYR H H 7.90 . . 478 133 133 TYR C C 175.63 . . 479 133 133 TYR CA C 57.96 . . 480 133 133 TYR N N 119.94 . . 481 134 134 GLN H H 8.11 . . 482 134 134 GLN C C 174.92 . . 483 134 134 GLN CA C 55.62 . . 484 134 134 GLN N N 122.01 . . 485 135 135 ASP H H 8.10 . . 486 135 135 ASP C C 175.36 . . 487 135 135 ASP CA C 54.24 . . 488 135 135 ASP N N 121.33 . . 489 136 136 TYR H H 7.88 . . 490 136 136 TYR C C 174.88 . . 491 136 136 TYR CA C 57.50 . . 492 136 136 TYR N N 120.12 . . 493 137 137 GLU H H 8.07 . . 494 137 137 GLU C C 173.73 . . 495 137 137 GLU CA C 53.67 . . 496 137 137 GLU N N 124.85 . . 497 138 138 PRO C C 176.76 . . 498 138 138 PRO CA C 62.99 . . 499 138 138 PRO N N 136.64 . . 500 139 139 GLU H H 8.34 . . 501 139 139 GLU C C 175.19 . . 502 139 139 GLU CA C 56.59 . . 503 139 139 GLU N N 121.15 . . 504 140 140 ALA H H 7.79 . . 505 140 140 ALA N N 130.48 . . stop_ save_