data_25325 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Chemical Shifts of the hybrid protein Beta-Synuclien HC ; _BMRB_accession_number 25325 _BMRB_flat_file_name bmr25325.str _Entry_type original _Submission_date 2014-11-10 _Accession_date 2014-11-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Chemical shifts of the hybrid intrinsically disorder protein Beta-HC. The construct Beta-HC incorporates residues 71-82 of the non-Beta-amylioid component region of alpha-synuclein, which is absent in the sequence of beta-synculein. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Allison Jane R. . 2 Rivers Robert C. . 3 Christodoulou John . . 4 Vendruscolo Michele . . 5 Dobson Christopher M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 133 "13C chemical shifts" 260 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-09-03 original BMRB . stop_ _Original_release_date 2015-09-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A relationship between the transient structure in the monomeric state and the aggregation propensities ; _Citation_status 'in press' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Allison Jane R. . 2 Rivers Robert C. . 3 Christodoulou John C. . 4 Vendruscolo Michele . . 5 Dobson Christopher M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein Hybrid Beta-Synuclien HC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Beta-synuclein HC' $beta-synuclein_HC stop_ _System_molecular_weight 15372.12 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_beta-synuclein_HC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common beta-synuclein_HC _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; MDVFMKGLSMAKEGVVAAAE KTKQGVTEAAEKTKEGVLYV GSKTREGVVQGVASVAEKTK EQASHLGGAVFSGVTAVAQK TVEGAGNIAAATGLVKREEF PTDLKPEEVAQEAAEEPLIE PLMEPEGESYEDPPQEEYQE YEPEA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASP 3 3 VAL 4 4 PHE 5 5 MET 6 6 LYS 7 7 GLY 8 8 LEU 9 9 SER 10 10 MET 11 11 ALA 12 12 LYS 13 13 GLU 14 14 GLY 15 15 VAL 16 16 VAL 17 17 ALA 18 18 ALA 19 19 ALA 20 20 GLU 21 21 LYS 22 22 THR 23 23 LYS 24 24 GLN 25 25 GLY 26 26 VAL 27 27 THR 28 28 GLU 29 29 ALA 30 30 ALA 31 31 GLU 32 32 LYS 33 33 THR 34 34 LYS 35 35 GLU 36 36 GLY 37 37 VAL 38 38 LEU 39 39 TYR 40 40 VAL 41 41 GLY 42 42 SER 43 43 LYS 44 44 THR 45 45 ARG 46 46 GLU 47 47 GLY 48 48 VAL 49 49 VAL 50 50 GLN 51 51 GLY 52 52 VAL 53 53 ALA 54 54 SER 55 55 VAL 56 56 ALA 57 57 GLU 58 58 LYS 59 59 THR 60 60 LYS 61 61 GLU 62 62 GLN 63 63 ALA 64 64 SER 65 65 HIS 66 66 LEU 67 67 GLY 68 68 GLY 69 69 ALA 70 70 VAL 71 71 PHE 72 72 SER 73 73 GLY 74 74 VAL 75 75 THR 76 76 ALA 77 77 VAL 78 78 ALA 79 79 GLN 80 80 LYS 81 81 THR 82 82 VAL 83 83 GLU 84 84 GLY 85 85 ALA 86 86 GLY 87 87 ASN 88 88 ILE 89 89 ALA 90 90 ALA 91 91 ALA 92 92 THR 93 93 GLY 94 94 LEU 95 95 VAL 96 96 LYS 97 97 ARG 98 98 GLU 99 99 GLU 100 100 PHE 101 101 PRO 102 102 THR 103 103 ASP 104 104 LEU 105 105 LYS 106 106 PRO 107 107 GLU 108 108 GLU 109 109 VAL 110 110 ALA 111 111 GLN 112 112 GLU 113 113 ALA 114 114 ALA 115 115 GLU 116 116 GLU 117 117 PRO 118 118 LEU 119 119 ILE 120 120 GLU 121 121 PRO 122 122 LEU 123 123 MET 124 124 GLU 125 125 PRO 126 126 GLU 127 127 GLY 128 128 GLU 129 129 SER 130 130 TYR 131 131 GLU 132 132 ASP 133 133 PRO 134 134 PRO 135 135 GLN 136 136 GLU 137 137 GLU 138 138 TYR 139 139 GLN 140 140 GLU 141 141 TYR 142 142 GLU 143 143 PRO 144 144 GLU 145 145 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 $beta-synuclein_HC . . . . . . 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 $beta-synuclein_HC 'recombinant technology' . Escherichia coli . T9 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details 'pH 7.4, 100 mM NaCl, 10mM Phosphate Buffer' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $beta-synuclein_HC 150 uM '[U-99% 13C; U-99% 15N]' NaCl 100 mM 'natural abundance' 'Phosphate Buffer' 10 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Sparky was used for the assignment and comparison of the HSQC versus that of alpha and beta-synuclein' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; E. coli growth M9 minimal medium with 1 g/L 15NH4Cl and 3.5 g/L 13C-glucose/12C-glucose as the sole nitrogen and carbon sources respectively ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7.4 . pH pressure 1 . atm temperature 283 . 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 DMSO H 1 'methyl protons' ppm 2.500 external direct . . . 1.0 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 '3D CBCA(CO)NH' '3D HNCO' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Beta-synuclein HC' _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 2 2 ASP H H 8.228 . 1 2 2 2 ASP C C 175.995 . 1 3 2 2 ASP CA C 54.092 . 1 4 2 2 ASP N N 122.076 . 1 5 3 3 VAL H H 8.107 . 1 6 3 3 VAL C C 176.479 . 5 7 3 3 VAL CA C 62.443 . 1 8 3 3 VAL N N 120.002 . 1 9 4 4 PHE H H 8.275 . 1 10 4 4 PHE C C 175.877 . 1 11 4 4 PHE CA C 57.759 . 5 12 4 4 PHE N N 122.924 . 1 13 5 5 MET H H 8.106 . 1 14 5 5 MET C C 175.939 . 1 15 5 5 MET N N 121.855 . 1 16 6 6 LYS H H 8.214 . 1 17 6 6 LYS C C 177.17 . 1 18 6 6 LYS CA C 56.78 . 1 19 6 6 LYS N N 123.163 . 1 20 7 7 GLY H H 8.282 . 1 21 7 7 GLY CA C 44.96 . 5 22 7 7 GLY N N 109.475 . 1 23 8 8 LEU H H 7.933 . 1 24 8 8 LEU C C 177.706 . 1 25 8 8 LEU CA C 55.045 . 1 26 8 8 LEU N N 121.293 . 1 27 9 9 SER H H 8.217 . 1 28 9 9 SER N N 116.09 . 1 29 10 10 MET C C 176.007 . 1 30 10 10 MET CA C 55.162 . 1 31 11 11 ALA H H 8.133 . 1 32 11 11 ALA C C 177.764 . 1 33 11 11 ALA CA C 52.416 . 1 34 11 11 ALA N N 124.902 . 1 35 12 12 LYS H H 8.228 . 1 36 12 12 LYS C C 177.053 . 5 37 12 12 LYS CA C 56.344 . 5 38 12 12 LYS N N 120.73 . 1 39 13 13 GLU H H 8.289 . 5 40 13 13 GLU C C 176.932 . 1 41 13 13 GLU CA C 56.284 . 1 42 13 13 GLU N N 121.448 . 5 43 14 14 GLY H H 8.332 . 5 44 14 14 GLY CA C 44.959 . 1 45 14 14 GLY N N 109.832 . 5 46 15 15 VAL H H 7.817 . 1 47 15 15 VAL C C 176.279 . 1 48 15 15 VAL CA C 62.135 . 1 49 15 15 VAL N N 119.633 . 1 50 16 16 VAL H H 8.177 . 1 51 16 16 VAL C C 176.119 . 5 52 16 16 VAL CA C 62.11 . 5 53 16 16 VAL N N 124.958 . 1 54 17 17 ALA H H 8.241 . 5 55 17 17 ALA C C 177.869 . 1 56 17 17 ALA CA C 52.566 . 1 57 17 17 ALA N N 127.082 . 5 58 18 18 ALA H H 8.158 . 1 59 18 18 ALA C C 177.648 . 1 60 18 18 ALA CA C 52.384 . 1 61 18 18 ALA N N 122.838 . 1 62 19 19 ALA H H 8.196 . 1 63 19 19 ALA C C 178.156 . 5 64 19 19 ALA CA C 52.568 . 5 65 19 19 ALA N N 123.38 . 1 66 20 20 GLU H H 8.227 . 5 67 20 20 GLU C C 176.741 . 1 68 20 20 GLU CA C 56.544 . 1 69 20 20 GLU N N 119.648 . 5 70 21 21 LYS H H 8.203 . 1 71 21 21 LYS C C 177.093 . 1 72 21 21 LYS CA C 56.386 . 1 73 21 21 LYS N N 121.948 . 1 74 22 22 THR H H 8.019 . 1 75 22 22 THR C C 175.944 . 1 76 22 22 THR CA C 62.2251 . 1 77 22 22 THR N N 115.063 . 1 78 23 23 LYS H H 8.233 . 1 79 23 23 LYS C C 176.566 . 5 80 23 23 LYS CA C 56.489 . 5 81 23 23 LYS N N 123.5566 . 1 82 24 24 GLN H H 8.313 . 5 83 24 24 GLN C C 176.509 . 5 84 24 24 GLN CA C 56.563 . 5 85 24 24 GLN N N 121.639 . 5 86 25 25 GLY H H 8.401 . 5 87 25 25 GLY C C 177.588 . 5 88 25 25 GLY CA C 44.844 . 5 89 25 25 GLY N N 110.541 . 5 90 26 26 VAL H H 7.949 . 1 91 26 26 VAL C C 176.115 . 1 92 26 26 VAL CA C 62.38 . 1 93 26 26 VAL N N 119.399 . 1 94 27 27 THR H H 8.279 . 1 95 27 27 THR C C 175.358 . 5 96 27 27 THR CA C 61.87 . 1 97 27 27 THR N N 114.38 . 1 98 28 28 GLU H H 8.315 . 5 99 28 28 GLU C C 176.298 . 1 100 28 28 GLU CA C 56.4 . 1 101 28 28 GLU N N 123.243 . 5 102 29 29 ALA H H 8.254 . 1 103 29 29 ALA C C 177.724 . 1 104 29 29 ALA CA C 52.684 . 1 105 29 29 ALA N N 124.88 . 1 106 30 30 ALA H H 8.146 . 1 107 30 30 ALA C C 177.967 . 1 108 30 30 ALA CA C 52.478 . 1 109 30 30 ALA N N 123.039 . 1 110 32 32 LYS H H 8.203 . 5 111 32 32 LYS C C 177.031 . 5 112 32 32 LYS CA C 56.221 . 5 113 32 32 LYS N N 121.948 . 5 114 33 33 THR H H 8.059 . 1 115 33 33 THR C C 174.584 . 1 116 33 33 THR CA C 62.292 . 1 117 33 33 THR N N 115.165 . 1 118 34 34 LYS H H 8.275 . 1 119 34 34 LYS C C 176.569 . 5 120 34 34 LYS CA C 56.716 . 5 121 34 34 LYS N N 123.432 . 1 122 35 35 GLU H H 8.289 . 5 123 35 35 GLU C C 177.046 . 5 124 35 35 GLU CA C 56.475 . 5 125 35 35 GLU N N 121.448 . 5 126 36 36 GLY H H 8.309 . 5 127 36 36 GLY C C 173.843 . 1 128 36 36 GLY CA C 44.957 . 1 129 36 36 GLY N N 109.616 . 5 130 37 37 VAL H H 7.785 . 1 131 37 37 VAL C C 175.938 . 1 132 37 37 VAL CA C 62.394 . 1 133 37 37 VAL N N 119.226 . 1 134 38 38 LEU H H 8.158 . 1 135 38 38 LEU C C 175.952 . 5 136 38 38 LEU CA C 54.874 . 5 137 38 38 LEU N N 125.413 . 1 138 39 39 TYR H H 8.147 . 5 139 39 39 TYR C C 175.566 . 1 140 39 39 TYR CA C 57.593 . 1 141 39 39 TYR N N 122.223 . 5 142 40 40 VAL H H 7.956 . 1 143 40 40 VAL C C 176.145 . 1 144 40 40 VAL CA C 62.104 . 1 145 40 40 VAL N N 123.083 . 1 146 41 41 GLY H H 7.922 . 1 147 41 41 GLY CA C 44.825 . 1 148 41 41 GLY N N 111.866 . 1 149 42 42 SER H H 8.145 . 1 150 42 42 SER C C 175.824 . 1 151 42 42 SER CA C 58.152 . 1 152 42 42 SER N N 115.331 . 1 153 43 43 LYS H H 8.363 . 9 154 43 43 LYS C C 176.861 . 5 155 43 43 LYS CA C 56.146 . 5 156 43 43 LYS N N 123.124 . 9 157 44 44 THR H H 8.059 . 1 158 44 44 THR C C 176.088 . 1 159 44 44 THR CA C 62.087 . 1 160 44 44 THR N N 115.163 . 1 161 45 45 ARG H H 8.378 . 5 162 45 45 ARG C C 176.173 . 5 163 45 45 ARG CA C 56.024 . 5 164 45 45 ARG N N 123.914 . 5 165 46 46 GLU H H 8.358 . 5 166 46 46 GLU C C 177.046 . 5 167 46 46 GLU CA C 56.475 . 5 168 46 46 GLU N N 121.713 . 5 169 47 47 GLY H H 8.309 . 5 170 47 47 GLY C C 174.125 . 1 171 47 47 GLY CA C 44.889 . 1 172 47 47 GLY N N 109.616 . 5 173 48 48 VAL H H 7.847 . 1 174 48 48 VAL C C 176.435 . 1 175 48 48 VAL CA C 62.312 . 1 176 48 48 VAL N N 119.866 . 1 177 49 49 VAL H H 8.255 . 1 178 49 49 VAL C C 176.047 . 5 179 49 49 VAL CA C 62.164 . 5 180 49 49 VAL N N 125.285 . 1 181 50 50 GLN H H 8.466 . 1 182 50 50 GLN C C 176.26 . 1 183 50 50 GLN CA C 55.813 . 1 184 50 50 GLN N N 125.093 . 1 185 51 51 GLY H H 8.37 . 1 186 51 51 GLY C C 177.588 . 5 187 51 51 GLY CA C 44.846 . 1 188 51 51 GLY N N 110.458 . 1 189 52 52 VAL H H 7.932 . 1 190 52 52 VAL C C 176.019 . 1 191 52 52 VAL CA C 61.963 . 1 192 52 52 VAL N N 119.278 . 1 193 53 53 ALA H H 8.365 . 1 194 53 53 ALA C C 177.736 . 1 195 53 53 ALA CA C 52.383 . 1 196 53 53 ALA N N 127.819 . 1 197 54 54 SER H H 8.231 . 1 198 54 54 SER C C 174.258 . 1 199 54 54 SER CA C 57.766 . 1 200 54 54 SER N N 115.639 . 1 201 55 55 VAL H H 8.114 . 1 202 55 55 VAL C C 176.156 . 5 203 55 55 VAL CA C 62.11 . 5 204 55 55 VAL N N 121.816 . 1 205 56 56 ALA H H 8.241 . 5 206 56 56 ALA C C 178.133 . 5 207 56 56 ALA CA C 52.568 . 5 208 56 56 ALA N N 127.082 . 5 209 57 57 GLU H H 8.221 . 1 210 57 57 GLU C C 175.922 . 1 211 57 57 GLU CA C 56.017 . 1 212 57 57 GLU N N 119.78 . 1 213 58 58 LYS H H 8.278 . 1 214 58 58 LYS C C 177.112 . 1 215 58 58 LYS CA C 56.259 . 1 216 58 58 LYS N N 122.296 . 1 217 59 59 THR H H 8.084 . 1 218 59 59 THR C C 174.584 . 1 219 59 59 THR CA C 62.281 . 1 220 59 59 THR N N 115.431 . 1 221 60 60 LYS H H 8.245 . 1 222 60 60 LYS N N 123.29 . 1 223 61 61 GLU C C 176.81 . 1 224 61 61 GLU CA C 56.75 . 1 225 62 62 GLN H H 8.255 . 1 226 62 62 GLN C C 175.982 . 1 227 62 62 GLN CA C 56.006 . 1 228 62 62 GLN N N 121.052 . 1 229 63 63 ALA H H 8.239 . 1 230 63 63 ALA C C 178.044 . 1 231 63 63 ALA CA C 52.592 . 1 232 63 63 ALA N N 124.702 . 1 233 64 64 SER H H 8.177 . 1 234 64 64 SER C C 177.751 . 1 235 64 64 SER CA C 57.622 . 1 236 64 64 SER N N 114.676 . 1 237 65 65 HIS H H 8.02 . 5 238 65 65 HIS C C 175.302 . 1 239 65 65 HIS CA C 55.79 . 5 240 65 65 HIS N N 122.888 . 5 241 66 66 LEU H H 8.024 . 1 242 66 66 LEU C C 177.869 . 1 243 66 66 LEU CA C 55.031 . 1 244 66 66 LEU N N 120.76 . 1 245 67 67 GLY H H 8.223 . 1 246 67 67 GLY C C 174.629 . 1 247 67 67 GLY CA C 45.077 . 1 248 67 67 GLY N N 109.111 . 1 249 68 68 GLY H H 8.121 . 1 250 68 68 GLY C C 175.026 . 1 251 68 68 GLY CA C 44.736 . 1 252 68 68 GLY N N 108.381 . 1 253 69 69 ALA H H 8.051 . 1 254 69 69 ALA C C 177.588 . 5 255 69 69 ALA CA C 52.279 . 1 256 69 69 ALA N N 123.499 . 1 257 70 70 VAL H H 7.963 . 1 258 70 70 VAL C C 175.921 . 1 259 70 70 VAL CA C 62.102 . 1 260 70 70 VAL N N 119.117 . 1 261 71 71 PHE H H 8.338 . 1 262 71 71 PHE C C 176.723 . 1 263 71 71 PHE CA C 57.444 . 1 264 71 71 PHE N N 124.49 . 1 265 72 72 SER H H 7.583 . 1 266 72 72 SER C C 174.535 . 1 267 72 72 SER CA C 57.704 . 1 268 72 72 SER N N 118.368 . 1 269 73 73 GLY H H 7.583 . 1 270 73 73 GLY C C 177.588 . 5 271 73 73 GLY CA C 44.846 . 5 272 73 73 GLY N N 110.036 . 1 273 74 74 VAL H H 7.916 . 1 274 74 74 VAL C C 176.48 . 1 275 74 74 VAL CA C 62.196 . 1 276 74 74 VAL N N 119.107 . 1 277 75 75 THR H H 8.166 . 1 278 75 75 THR C C 176.119 . 5 279 75 75 THR CA C 62.11 . 5 280 75 75 THR N N 118.609 . 1 281 76 76 ALA H H 8.241 . 1 282 76 76 ALA C C 177.549 . 1 283 76 76 ALA CA C 52.363 . 1 284 76 76 ALA N N 127.082 . 1 285 77 77 VAL H H 8.018 . 1 286 77 77 VAL C C 175.987 . 1 287 77 77 VAL CA C 62.104 . 1 288 77 77 VAL N N 119.783 . 1 289 78 78 ALA H H 8.28 . 5 290 78 78 ALA C C 177.629 . 1 291 78 78 ALA CA C 52.073 . 1 292 78 78 ALA N N 127.867 . 5 293 79 79 GLN H H 8.275 . 1 294 79 79 GLN C C 175.358 . 1 295 79 79 GLN CA C 55.646 . 1 296 79 79 GLN N N 120.04 . 1 297 80 80 LYS H H 8.315 . 5 298 80 80 LYS C C 176.671 . 1 299 80 80 LYS CA C 56.054 . 1 300 80 80 LYS N N 123.243 . 5 301 81 81 THR H H 8.177 . 1 302 81 81 THR C C 174.545 . 1 303 81 81 THR CA C 61.805 . 1 304 81 81 THR N N 116.683 . 1 305 82 82 VAL H H 8.191 . 1 306 82 82 VAL C C 176.132 . 5 307 82 82 VAL CA C 62.164 . 5 308 82 82 VAL N N 122.855 . 1 309 83 83 GLU H H 8.466 . 1 310 83 83 GLU C C 177.045 . 1 311 83 83 GLU CA C 56.563 . 1 312 83 83 GLU N N 125.093 . 1 313 84 84 GLY H H 8.113 . 1 314 84 84 GLY C C 174.64 . 1 315 84 84 GLY CA C 44.959 . 1 316 84 84 GLY N N 110.553 . 1 317 85 85 ALA H H 8.113 . 1 318 85 85 ALA C C 178.396 . 1 319 85 85 ALA CA C 52.605 . 1 320 85 85 ALA N N 123.457 . 1 321 86 86 GLY H H 8.342 . 1 322 86 86 GLY C C 176.485 . 1 323 86 86 GLY CA C 44.917 . 1 324 86 86 GLY N N 107.409 . 1 325 87 87 ASN H H 8.145 . 1 326 87 87 ASN C C 175.307 . 1 327 87 87 ASN CA C 52.92 . 1 328 87 87 ASN N N 118.443 . 1 329 88 88 ILE H H 8.012 . 1 330 88 88 ILE C C 176.168 . 1 331 88 88 ILE CA C 60.964 . 1 332 88 88 ILE N N 121.347 . 1 333 89 89 ALA H H 8.28 . 5 334 89 89 ALA C C 177.735 . 5 335 89 89 ALA CA C 52.384 . 5 336 89 89 ALA N N 127.867 . 5 337 90 90 ALA H H 8.191 . 5 338 90 90 ALA C C 177.55 . 1 339 90 90 ALA CA C 52.416 . 1 340 90 90 ALA N N 122.855 . 5 341 91 91 ALA H H 8.093 . 1 342 91 91 ALA C C 178.137 . 1 343 91 91 ALA CA C 52.498 . 1 344 91 91 ALA N N 123.113 . 1 345 92 92 THR H H 7.974 . 1 346 92 92 THR C C 175.206 . 1 347 92 92 THR CA C 61.886 . 1 348 92 92 THR N N 112.293 . 1 349 93 93 GLY H H 8.234 . 1 350 93 93 GLY C C 174.6 . 9 351 93 93 GLY CA C 44.96 . 5 352 93 93 GLY N N 110.478 . 1 353 94 94 LEU H H 7.944 . 1 354 94 94 LEU C C 177.275 . 1 355 94 94 LEU CA C 54.917 . 1 356 94 94 LEU N N 121.391 . 1 357 95 95 VAL H H 8.039 . 1 358 95 95 VAL C C 175.838 . 1 359 95 95 VAL CA C 62.085 . 1 360 95 95 VAL N N 121.93 . 1 361 96 96 LYS H H 8.365 . 1 362 96 96 LYS C C 176.662 . 5 363 96 96 LYS CA C 56.025 . 5 364 96 96 LYS N N 126.523 . 1 365 97 97 ARG H H 8.358 . 5 366 97 97 ARG C C 176.014 . 1 367 97 97 ARG CA C 55.585 . 1 368 97 97 ARG N N 121.713 . 5 369 98 98 GLU H H 8.394 . 1 370 98 98 GLU C C 176.025 . 1 371 98 98 GLU CA C 55.778 . 1 372 98 98 GLU N N 122.63 . 1 373 99 99 GLU H H 8.45 . 1 374 99 99 GLU C C 175.639 . 1 375 99 99 GLU CA C 56.016 . 1 376 99 99 GLU N N 122.778 . 1 377 100 100 PHE H H 8.219 . 1 378 100 100 PHE N N 121.126 . 1 379 101 101 PRO C C 177.16 . 1 380 101 101 PRO CA C 63.009 . 1 381 102 102 THR H H 8.185 . 1 382 102 102 THR C C 176.893 . 5 383 102 102 THR CA C 62.478 . 1 384 102 102 THR N N 113.866 . 1 385 103 103 ASP H H 8.242 . 1 386 103 103 ASP C C 175.78 . 1 387 103 103 ASP CA C 54.155 . 1 388 103 103 ASP N N 122.076 . 1 389 104 104 LEU H H 7.999 . 1 390 104 104 LEU C C 176.653 . 1 391 104 104 LEU CA C 54.874 . 1 392 104 104 LEU N N 122.213 . 1 393 105 105 LYS H H 8.154 . 5 394 105 105 LYS N N 122.171 . 5 395 106 106 PRO C C 177.16 . 1 396 106 106 PRO CA C 63.256 . 1 397 107 107 GLU H H 8.583 . 1 398 107 107 GLU C C 176.149 . 1 399 107 107 GLU CA C 56.025 . 1 400 107 107 GLU N N 120.311 . 1 401 108 108 GLU H H 8.375 . 1 402 108 108 GLU C C 176.307 . 1 403 108 108 GLU CA C 55.975 . 1 404 108 108 GLU N N 122.174 . 1 405 109 109 VAL H H 8.039 . 1 406 109 109 VAL C C 175.862 . 1 407 109 109 VAL CA C 62.137 . 1 408 109 109 VAL N N 121.93 . 1 409 110 110 ALA H H 8.335 . 1 410 110 110 ALA C C 177.627 . 1 411 110 110 ALA CA C 52.337 . 1 412 110 110 ALA N N 128.174 . 1 413 111 111 GLN H H 8.317 . 1 414 111 111 GLN C C 176.087 . 5 415 111 111 GLN CA C 55.853 . 5 416 111 111 GLN N N 120.297 . 1 417 112 112 GLU H H 8.378 . 5 418 112 112 GLU C C 176.077 . 1 419 112 112 GLU CA C 56.108 . 1 420 112 112 GLU N N 123.914 . 5 421 113 113 ALA H H 8.309 . 1 422 113 113 ALA C C 177.231 . 1 423 113 113 ALA CA C 51.983 . 1 424 113 113 ALA N N 125.532 . 1 425 114 114 ALA H H 8.223 . 1 426 114 114 ALA C C 177.587 . 1 427 114 114 ALA CA C 51.84 . 1 428 114 114 ALA N N 123.939 . 1 429 115 115 GLU H H 8.282 . 1 430 115 115 GLU C C 176.251 . 1 431 115 115 GLU CA C 55.853 . 1 432 115 115 GLU N N 120.518 . 1 433 116 116 GLU H H 8.378 . 5 434 116 116 GLU N N 123.914 . 5 435 117 117 PRO C C 176.479 . 5 436 117 117 PRO CA C 62.42 . 1 437 118 118 LEU H H 8.275 . 1 438 118 118 LEU C C 177.282 . 1 439 118 118 LEU CA C 54.642 . 1 440 118 118 LEU N N 122.924 . 1 441 119 119 ILE H H 8.145 . 1 442 119 119 ILE C C 175.894 . 1 443 119 119 ILE CA C 60.415 . 1 444 119 119 ILE N N 123.492 . 1 445 120 120 GLU H H 8.374 . 1 446 120 120 GLU N N 127.175 . 1 447 121 121 PRO C C 177.211 . 1 448 121 121 PRO CA C 63.814 . 1 449 122 122 LEU H H 8.213 . 9 450 122 122 LEU C C 177.282 . 1 451 122 122 LEU CA C 54.787 . 1 452 122 122 LEU N N 122.704 . 9 453 123 123 MET H H 8.318 . 1 454 123 123 MET C C 176.958 . 1 455 123 123 MET CA C 55.131 . 1 456 123 123 MET N N 122.181 . 1 457 124 124 GLU H H 8.313 . 9 458 124 124 GLU N N 121.639 . 9 459 125 125 PRO C C 176.912 . 1 460 125 125 PRO CA C 62.701 . 1 461 126 126 GLU H H 8.483 . 1 462 126 126 GLU C C 177.053 . 9 463 126 126 GLU CA C 56.475 . 9 464 126 126 GLU N N 121.425 . 1 465 127 127 GLY H H 8.324 . 1 466 127 127 GLY C C 177.967 . 9 467 127 127 GLY CA C 44.735 . 1 468 127 127 GLY N N 109.897 . 1 469 128 128 GLU H H 8.216 . 1 470 128 128 GLU C C 176.306 . 1 471 128 128 GLU CA C 55.962 . 1 472 128 128 GLU N N 120.331 . 1 473 129 129 SER H H 8.27 . 1 474 129 129 SER C C 175.932 . 1 475 129 129 SER CA C 57.516 . 1 476 129 129 SER N N 116.78 . 1 477 130 130 TYR H H 8.213 . 5 478 130 130 TYR C C 175.563 . 5 479 130 130 TYR CA C 57.622 . 5 480 130 130 TYR N N 122.704 . 5 481 131 131 GLU H H 7.992 . 1 482 131 131 GLU C C 175.913 . 1 483 131 131 GLU CA C 55.55 . 1 484 131 131 GLU N N 122.804 . 9 485 132 132 ASP H H 8.315 . 9 486 132 132 ASP N N 123.243 . 9 487 134 134 PRO C C 176.859 . 1 488 134 134 PRO CA C 62.42 . 1 489 135 135 GLN H H 8.431 . 1 490 135 135 GLN C C 1755.998 . 1 491 135 135 GLN CA C 55.495 . 1 492 135 135 GLN N N 120.965 . 1 493 136 136 GLU H H 8.42 . 1 494 136 136 GLU C C 175.816 . 1 495 136 136 GLU CA C 54.56 . 1 496 136 136 GLU N N 122.731 . 1 497 137 137 GLU H H 8.353 . 1 498 137 137 GLU C C 175.784 . 4 499 137 137 GLU CA C 55.993 . 1 500 137 137 GLU N N 123.901 . 1 501 138 138 TYR H H 8.157 . 1 502 138 138 TYR C C 175.085 . 1 503 138 138 TYR CA C 57.401 . 1 504 138 138 TYR N N 121.677 . 1 505 139 139 GLN H H 8.189 . 1 506 139 139 GLN C C 176.584 . 1 507 139 139 GLN CA C 54.669 . 3 508 139 139 GLN N N 125.357 . 1 509 140 140 GLU H H 8.242 . 1 510 140 140 GLU C C 175.894 . 1 511 140 140 GLU CA C 56.12 . 5 512 140 140 GLU N N 122.722 . 1 513 141 141 TYR H H 8.257 . 5 514 141 141 TYR C C 175.233 . 5 515 141 141 TYR CA C 57.583 . 1 516 141 141 TYR N N 122.174 . 5 517 142 142 GLU H H 8.026 . 1 518 142 142 GLU N N 123.537 . 1 519 143 143 PRO C C 176.824 . 1 520 143 143 PRO CA C 62.55 . 1 521 144 144 GLU H H 8.408 . 1 522 144 144 GLU C C 175.375 . 1 523 144 144 GLU CA C 56.28 . 1 524 144 144 GLU N N 121.363 . 1 525 145 145 ALA H H 7.886 . 1 526 145 145 ALA N N 130.663 . 1 stop_ save_