data_16301 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; intrinsically unfolded alpha-synuclein variant SaS ; _BMRB_accession_number 16301 _BMRB_flat_file_name bmr16301.str _Entry_type original _Submission_date 2009-05-14 _Accession_date 2009-05-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rao 'Jampani Nageswara' . . 2 Kim Yujin E. . 3 Park Leena S. . 4 Ulmer Tobias S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 128 "13C chemical shifts" 236 "15N chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-06-24 update BMRB 'complete entry citation' 2009-06-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16300 'free aS' 16302 aS-SLAS 16303 SaS-SLAS 16304 bS-SLAS stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Effect of Pseudorepeat Rearrangement on alpha-Synuclein Misfolding, Vesicle Binding, and Micelle Binding' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19481090 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rao 'Jampani Nageswara' . . 2 Kim Yujin E. . 3 Park Leena S. . 4 Ulmer Tobias S. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 390 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 516 _Page_last 529 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label monomer $SaS stop_ _System_molecular_weight . _System_physical_state unfolded _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SaS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SaS _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MDVFMKGLEKTKEQVTNVGS KTKEGVVHGVGAVVTGVTAV AEKTKQGVAEAAATVASKAK EGVVAAAGKTKEGVLYVGQK 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 GLU 10 LYS 11 THR 12 LYS 13 GLU 14 GLN 15 VAL 16 THR 17 ASN 18 VAL 19 GLY 20 SER 21 LYS 22 THR 23 LYS 24 GLU 25 GLY 26 VAL 27 VAL 28 HIS 29 GLY 30 VAL 31 GLY 32 ALA 33 VAL 34 VAL 35 THR 36 GLY 37 VAL 38 THR 39 ALA 40 VAL 41 ALA 42 GLU 43 LYS 44 THR 45 LYS 46 GLN 47 GLY 48 VAL 49 ALA 50 GLU 51 ALA 52 ALA 53 ALA 54 THR 55 VAL 56 ALA 57 SER 58 LYS 59 ALA 60 LYS 61 GLU 62 GLY 63 VAL 64 VAL 65 ALA 66 ALA 67 ALA 68 GLY 69 LYS 70 THR 71 LYS 72 GLU 73 GLY 74 VAL 75 LEU 76 TYR 77 VAL 78 GLY 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 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16303 SLAS-bound_SaS 100.00 140 100.00 100.00 5.93e-90 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SaS . . . . not applicable 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 $SaS 'recombinant technology' . Escherichia coli . pET44-SaS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SaS 0.5 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' 'HEPES NaCl' 25 mM 'natural abundance' NaCl 50 mM 'natural abundance' NaN3 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift assignment' stop_ _Details . 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_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.075 . M pH 7.4 . pH pressure 1 . atm temperature 288.2 . 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 water C 13 protons ppm 4.868 internal indirect . . . 0.25144954 water H 1 protons ppm 4.868 internal direct . . . 1 water N 15 protons ppm 4.868 internal indirect . . . 0.10132900 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 HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNCO' 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 monomer _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 3 3 VAL H H 8.314 0.020 1 2 3 3 VAL CA C 62.075 0.3 1 3 3 3 VAL CB C 31.738 0.3 1 4 3 3 VAL N N 120.256 0.3 1 5 4 4 PHE H H 8.420 0.020 1 6 4 4 PHE CA C 57.563 0.3 1 7 4 4 PHE CB C 38.632 0.3 1 8 4 4 PHE N N 123.337 0.3 1 9 5 5 MET H H 8.290 0.020 1 10 5 5 MET CA C 54.936 0.3 1 11 5 5 MET CB C 31.791 0.3 1 12 5 5 MET N N 122.218 0.3 1 13 6 6 LYS H H 8.351 0.020 1 14 6 6 LYS CA C 56.433 0.3 1 15 6 6 LYS CB C 31.738 0.3 1 16 6 6 LYS N N 122.633 0.3 1 17 8 8 LEU H H 8.167 0.020 1 18 8 8 LEU CA C 54.727 0.3 1 19 8 8 LEU CB C 41.197 0.3 1 20 8 8 LEU N N 121.514 0.3 1 21 9 9 GLU H H 8.576 0.020 1 22 9 9 GLU CA C 56.330 0.3 1 23 9 9 GLU CB C 29.280 0.3 1 24 9 9 GLU N N 121.768 0.3 1 25 10 10 LYS H H 8.527 0.020 1 26 10 10 LYS CA C 56.223 0.3 1 27 10 10 LYS CB C 31.845 0.3 1 28 10 10 LYS N N 122.591 0.3 1 29 11 11 THR H H 8.279 0.020 1 30 11 11 THR CA C 61.688 0.3 1 31 11 11 THR CB C 69.305 0.3 1 32 11 11 THR N N 115.569 0.3 1 33 12 12 LYS H H 8.531 0.020 1 34 12 12 LYS CA C 56.092 0.3 1 35 12 12 LYS CB C 31.845 0.3 1 36 12 12 LYS N N 123.784 0.3 1 37 13 13 GLU H H 8.545 0.020 1 38 13 13 GLU CA C 56.328 0.3 1 39 13 13 GLU CB C 29.280 0.3 1 40 13 13 GLU N N 121.995 0.3 1 41 14 14 GLN H H 8.532 0.020 1 42 14 14 GLN CA C 55.409 0.3 1 43 14 14 GLN CB C 29.333 0.3 1 44 14 14 GLN N N 121.771 0.3 1 45 15 15 VAL H H 8.379 0.020 1 46 15 15 VAL CA C 62.004 0.3 1 47 15 15 VAL CB C 31.738 0.3 1 48 15 15 VAL N N 121.917 0.3 1 49 16 16 THR H H 8.382 0.020 1 50 16 16 THR CA C 61.426 0.3 1 51 16 16 THR CB C 69.359 0.3 1 52 16 16 THR N N 118.034 0.3 1 53 18 18 VAL H H 8.299 0.020 1 54 18 18 VAL CA C 62.319 0.3 1 55 18 18 VAL CB C 31.791 0.3 1 56 18 18 VAL N N 120.565 0.3 1 57 19 19 GLY H H 8.602 0.020 1 58 19 19 GLY CA C 44.820 0.3 1 59 19 19 GLY N N 112.156 0.3 1 60 20 20 SER H H 8.297 0.020 1 61 20 20 SER CA C 58.115 0.3 1 62 20 20 SER CB C 63.534 0.3 1 63 20 20 SER N N 115.872 0.3 1 64 22 22 THR H H 8.277 0.020 1 65 22 22 THR CA C 61.688 0.3 1 66 22 22 THR CB C 69.305 0.3 1 67 22 22 THR N N 115.704 0.3 1 68 23 23 LYS H H 8.489 0.020 1 69 23 23 LYS CA C 56.197 0.3 1 70 23 23 LYS CB C 31.791 0.3 1 71 23 23 LYS N N 123.503 0.3 1 72 24 24 GLU H H 8.450 0.020 1 73 24 24 GLU CA C 56.433 0.3 1 74 24 24 GLU CB C 29.280 0.3 1 75 24 24 GLU N N 121.804 0.3 1 76 25 25 GLY H H 8.526 0.020 1 77 25 25 GLY CA C 44.761 0.3 1 78 25 25 GLY N N 109.892 0.3 1 79 26 26 VAL H H 8.175 0.020 1 80 26 26 VAL CA C 61.925 0.3 1 81 26 26 VAL CB C 31.898 0.3 1 82 26 26 VAL N N 119.608 0.3 1 83 27 27 VAL H H 8.481 0.020 1 84 27 27 VAL CA C 61.767 0.3 1 85 27 27 VAL CB C 31.791 0.3 1 86 27 27 VAL N N 125.367 0.3 1 87 28 28 HIS H H 8.536 0.020 1 88 28 28 HIS CA C 55.956 0.3 1 89 28 28 HIS CB C 30.562 0.3 1 90 28 28 HIS N N 124.535 0.3 1 91 29 29 GLY H H 8.495 0.020 1 92 29 29 GLY CA C 44.715 0.3 1 93 29 29 GLY N N 110.516 0.3 1 94 30 30 VAL H H 8.221 0.020 1 95 30 30 VAL CA C 62.082 0.3 1 96 30 30 VAL CB C 31.685 0.3 1 97 30 30 VAL N N 119.484 0.3 1 98 31 31 GLY H H 8.642 0.020 1 99 31 31 GLY CA C 44.583 0.3 1 100 31 31 GLY N N 112.648 0.3 1 101 32 32 ALA H H 8.189 0.020 1 102 32 32 ALA CA C 51.914 0.3 1 103 32 32 ALA N N 123.761 0.3 1 104 33 33 VAL H H 8.297 0.020 1 105 33 33 VAL CA C 61.951 0.3 1 106 33 33 VAL CB C 31.791 0.3 1 107 33 33 VAL N N 120.437 0.3 1 108 34 34 VAL H H 8.372 0.020 1 109 34 34 VAL CA C 61.808 0.3 1 110 34 34 VAL CB C 31.845 0.3 1 111 34 34 VAL N N 124.983 0.3 1 112 35 35 THR H H 8.397 0.020 1 113 35 35 THR CA C 61.504 0.3 1 114 35 35 THR CB C 69.252 0.3 1 115 35 35 THR N N 118.614 0.3 1 116 36 36 GLY H H 8.519 0.020 1 117 36 36 GLY CA C 44.788 0.3 1 118 36 36 GLY N N 111.226 0.3 1 119 37 37 VAL H H 8.014 0.020 1 120 37 37 VAL CA C 61.846 0.3 1 121 37 37 VAL CB C 31.845 0.3 1 122 37 37 VAL N N 120.023 0.3 1 123 38 38 THR H H 8.397 0.020 1 124 38 38 THR CA C 61.636 0.3 1 125 38 38 THR CB C 69.252 0.3 1 126 38 38 THR N N 119.028 0.3 1 127 39 39 ALA H H 8.466 0.020 1 128 39 39 ALA CA C 52.019 0.3 1 129 39 39 ALA CB C 18.378 0.3 1 130 39 39 ALA N N 127.314 0.3 1 131 40 40 VAL H H 8.267 0.020 1 132 40 40 VAL CA C 61.925 0.3 1 133 40 40 VAL CB C 31.845 0.3 1 134 40 40 VAL N N 120.271 0.3 1 135 41 41 ALA H H 8.489 0.020 1 136 41 41 ALA CA C 52.124 0.3 1 137 41 41 ALA CB C 18.378 0.3 1 138 41 41 ALA N N 127.853 0.3 1 139 42 42 GLU H H 8.481 0.020 1 140 42 42 GLU CA C 56.249 0.3 1 141 42 42 GLU CB C 29.280 0.3 1 142 42 42 GLU N N 120.810 0.3 1 143 43 43 LYS H H 8.473 0.020 1 144 43 43 LYS CA C 55.960 0.3 1 145 43 43 LYS CB C 31.898 0.3 1 146 43 43 LYS N N 122.550 0.3 1 147 44 44 THR H H 8.267 0.020 1 148 44 44 THR CA C 61.767 0.3 1 149 44 44 THR CB C 69.305 0.3 1 150 44 44 THR N N 115.548 0.3 1 151 45 45 LYS H H 8.481 0.020 1 152 45 45 LYS CA C 56.197 0.3 1 153 45 45 LYS CB C 31.845 0.3 1 154 45 45 LYS N N 123.793 0.3 1 155 47 47 GLY H H 8.587 0.020 1 156 47 47 GLY CA C 44.899 0.3 1 157 47 47 GLY N N 110.578 0.3 1 158 48 48 VAL H H 8.122 0.020 1 159 48 48 VAL CA C 62.293 0.3 1 160 48 48 VAL N N 119.898 0.3 1 161 49 49 ALA H H 8.519 0.020 1 162 49 49 ALA CA C 52.440 0.3 1 163 49 49 ALA CB C 18.058 0.3 1 164 49 49 ALA N N 127.107 0.3 1 165 50 50 GLU H H 8.504 0.020 1 166 50 50 GLU CA C 56.512 0.3 1 167 50 50 GLU CB C 29.226 0.3 1 168 50 50 GLU N N 120.644 0.3 1 169 51 51 ALA H H 8.413 0.020 1 170 51 51 ALA CA C 52.440 0.3 1 171 51 51 ALA CB C 18.111 0.3 1 172 51 51 ALA N N 124.912 0.3 1 173 52 52 ALA H H 8.320 0.020 1 174 52 52 ALA CA C 52.413 0.3 1 175 52 52 ALA CB C 18.165 0.3 1 176 52 52 ALA N N 122.840 0.3 1 177 54 54 THR H H 8.213 0.020 1 178 54 54 THR CA C 62.082 0.3 1 179 54 54 THR CB C 69.252 0.3 1 180 54 54 THR N N 114.223 0.3 1 181 55 55 VAL H H 8.213 0.020 1 182 55 55 VAL CA C 62.529 0.3 1 183 55 55 VAL CB C 31.685 0.3 1 184 55 55 VAL N N 122.798 0.3 1 185 56 56 ALA H H 8.443 0.020 1 186 56 56 ALA CA C 52.545 0.3 1 187 56 56 ALA N N 126.693 0.3 1 188 57 57 SER H H 8.344 0.020 1 189 57 57 SER CA C 58.483 0.3 1 190 57 57 SER CB C 63.320 0.3 1 191 57 57 SER N N 115.223 0.3 1 192 58 58 LYS H H 8.354 0.020 1 193 58 58 LYS CA C 56.118 0.3 1 194 58 58 LYS CB C 31.845 0.3 1 195 58 58 LYS N N 123.336 0.3 1 196 59 59 ALA H H 8.305 0.020 1 197 59 59 ALA CA C 52.376 0.3 1 198 59 59 ALA CB C 18.165 0.3 1 199 59 59 ALA N N 124.745 0.3 1 200 60 60 LYS H H 8.341 0.020 1 201 60 60 LYS CA C 56.090 0.3 1 202 60 60 LYS CB C 31.898 0.3 1 203 60 60 LYS N N 120.489 0.3 1 204 61 61 GLU H H 8.516 0.020 1 205 61 61 GLU CA C 56.276 0.3 1 206 61 61 GLU CB C 29.494 0.3 1 207 61 61 GLU N N 122.050 0.3 1 208 62 62 GLY H H 8.509 0.020 1 209 62 62 GLY CA C 44.734 0.3 1 210 62 62 GLY N N 109.802 0.3 1 211 63 63 VAL H H 8.060 0.020 1 212 63 63 VAL CA C 62.109 0.3 1 213 63 63 VAL CB C 31.738 0.3 1 214 63 63 VAL N N 120.188 0.3 1 215 64 64 VAL H H 8.382 0.020 1 216 64 64 VAL CA C 61.846 0.3 1 217 64 64 VAL CB C 31.845 0.3 1 218 64 64 VAL N N 124.994 0.3 1 219 65 65 ALA H H 8.519 0.020 1 220 65 65 ALA CA C 52.045 0.3 1 221 65 65 ALA CB C 18.271 0.3 1 222 65 65 ALA N N 128.226 0.3 1 223 66 66 ALA H H 8.374 0.020 1 224 66 66 ALA CA C 52.177 0.3 1 225 66 66 ALA CB C 18.218 0.3 1 226 66 66 ALA N N 123.254 0.3 1 227 67 67 ALA H H 8.331 0.020 1 228 67 67 ALA CA C 52.440 0.3 1 229 67 67 ALA CB C 18.111 0.3 1 230 67 67 ALA N N 122.783 0.3 1 231 68 68 GLY H H 8.416 0.020 1 232 68 68 GLY CA C 44.767 0.3 1 233 68 68 GLY N N 107.884 0.3 1 234 69 69 LYS H H 8.268 0.020 1 235 69 69 LYS CA C 55.750 0.3 1 236 69 69 LYS CB C 32.165 0.3 1 237 69 69 LYS N N 120.794 0.3 1 238 70 70 THR H H 8.344 0.020 1 239 70 70 THR CA C 61.487 0.3 1 240 70 70 THR CB C 69.572 0.3 1 241 70 70 THR N N 115.740 0.3 1 242 71 71 LYS H H 8.580 0.020 1 243 71 71 LYS CA C 56.065 0.3 1 244 71 71 LYS CB C 32.005 0.3 1 245 71 71 LYS N N 123.728 0.3 1 246 72 72 GLU H H 8.550 0.020 1 247 72 72 GLU CA C 56.328 0.3 1 248 72 72 GLU CB C 29.280 0.3 1 249 72 72 GLU N N 122.146 0.3 1 250 73 73 GLY H H 8.538 0.020 1 251 73 73 GLY CA C 44.841 0.3 1 252 73 73 GLY N N 110.006 0.3 1 253 74 74 VAL H H 7.992 0.020 1 254 74 74 VAL CA C 61.820 0.3 1 255 74 74 VAL CB C 31.791 0.3 1 256 74 74 VAL N N 119.567 0.3 1 257 75 75 LEU H H 8.374 0.020 1 258 75 75 LEU CA C 54.568 0.3 1 259 75 75 LEU CB C 41.410 0.3 1 260 75 75 LEU N N 125.781 0.3 1 261 76 76 TYR H H 8.343 0.020 1 262 76 76 TYR CA C 57.406 0.3 1 263 76 76 TYR CB C 38.097 0.3 1 264 76 76 TYR N N 122.135 0.3 1 265 77 77 VAL H H 8.190 0.020 1 266 77 77 VAL CA C 61.781 0.3 1 267 77 77 VAL CB C 31.791 0.3 1 268 77 77 VAL N N 123.130 0.3 1 269 78 78 GLY H H 8.145 0.020 1 270 78 78 GLY CA C 44.662 0.3 1 271 78 78 GLY N N 112.068 0.3 1 272 79 79 GLN H H 8.336 0.020 1 273 79 79 GLN CA C 55.356 0.3 1 274 79 79 GLN CB C 28.745 0.3 1 275 79 79 GLN N N 120.023 0.3 1 276 80 80 LYS H H 8.580 0.020 1 277 80 80 LYS CA C 55.934 0.3 1 278 80 80 LYS CB C 32.059 0.3 1 279 80 80 LYS N N 123.311 0.3 1 280 81 81 THR H H 8.374 0.020 1 281 81 81 THR CA C 61.452 0.3 1 282 81 81 THR CB C 69.412 0.3 1 283 81 81 THR N N 116.791 0.3 1 284 82 82 VAL H H 8.392 0.020 1 285 82 82 VAL CA C 61.820 0.3 1 286 82 82 VAL CB C 31.898 0.3 1 287 82 82 VAL N N 122.865 0.3 1 288 83 83 GLU H H 8.657 0.020 1 289 83 83 GLU CA C 56.355 0.3 1 290 83 83 GLU CB C 29.333 0.3 1 291 83 83 GLU N N 125.118 0.3 1 292 84 84 GLY H H 8.596 0.020 1 293 84 84 GLY CA C 44.846 0.3 1 294 84 84 GLY N N 110.577 0.3 1 295 85 85 ALA H H 8.349 0.020 1 296 85 85 ALA CA C 52.466 0.3 1 297 85 85 ALA CB C 18.271 0.3 1 298 85 85 ALA N N 123.858 0.3 1 299 86 86 GLY H H 8.573 0.020 1 300 86 86 GLY CA C 44.846 0.3 1 301 86 86 GLY N N 108.077 0.3 1 302 87 87 SER H H 8.236 0.020 1 303 87 87 SER CA C 58.036 0.3 1 304 87 87 SER CB C 63.587 0.3 1 305 87 87 SER N N 115.699 0.3 1 306 88 88 ILE H H 8.284 0.020 1 307 88 88 ILE CA C 60.900 0.3 1 308 88 88 ILE CB C 37.723 0.3 1 309 88 88 ILE N N 122.759 0.3 1 310 89 89 ALA H H 8.435 0.020 1 311 89 89 ALA CA C 52.177 0.3 1 312 89 89 ALA CB C 18.218 0.3 1 313 89 89 ALA N N 127.853 0.3 1 314 90 90 ALA H H 8.297 0.020 1 315 90 90 ALA CA C 52.045 0.3 1 316 90 90 ALA CB C 18.271 0.3 1 317 90 90 ALA N N 123.171 0.3 1 318 91 91 ALA H H 8.374 0.020 1 319 91 91 ALA CA C 52.045 0.3 1 320 91 91 ALA CB C 18.325 0.3 1 321 91 91 ALA N N 123.585 0.3 1 322 92 92 THR H H 8.183 0.020 1 323 92 92 THR CA C 61.636 0.3 1 324 92 92 THR CB C 69.359 0.3 1 325 92 92 THR N N 112.607 0.3 1 326 93 93 GLY H H 8.382 0.020 1 327 93 93 GLY CA C 44.707 0.3 1 328 93 93 GLY N N 110.536 0.3 1 329 94 94 PHE H H 8.181 0.020 1 330 94 94 PHE CA C 57.506 0.3 1 331 94 94 PHE CB C 38.952 0.3 1 332 94 94 PHE N N 120.313 0.3 1 333 95 95 VAL H H 8.145 0.020 1 334 95 95 VAL CA C 61.514 0.3 1 335 95 95 VAL CB C 32.165 0.3 1 336 95 95 VAL N N 123.751 0.3 1 337 96 96 LYS H H 8.481 0.020 1 338 96 96 LYS CA C 55.929 0.3 1 339 96 96 LYS CB C 32.005 0.3 1 340 96 96 LYS N N 126.278 0.3 1 341 97 97 LYS H H 8.565 0.020 1 342 97 97 LYS CA C 56.010 0.3 1 343 97 97 LYS CB C 32.005 0.3 1 344 97 97 LYS N N 123.710 0.3 1 345 98 98 ASP H H 8.496 0.020 1 346 98 98 ASP CA C 54.086 0.3 1 347 98 98 ASP CB C 40.342 0.3 1 348 98 98 ASP N N 121.100 0.3 1 349 99 99 GLN H H 8.435 0.020 1 350 99 99 GLN CA C 55.368 0.3 1 351 99 99 GLN CB C 28.425 0.3 1 352 99 99 GLN N N 120.105 0.3 1 353 100 100 LEU H H 8.389 0.020 1 354 100 100 LEU CA C 54.968 0.3 1 355 100 100 LEU CB C 41.090 0.3 1 356 100 100 LEU N N 122.798 0.3 1 357 101 101 GLY H H 8.558 0.020 1 358 101 101 GLY CA C 44.814 0.3 1 359 101 101 GLY N N 109.665 0.3 1 360 102 102 LYS H H 8.297 0.020 1 361 102 102 LYS CA C 55.769 0.3 1 362 102 102 LYS CB C 32.059 0.3 1 363 102 102 LYS N N 120.727 0.3 1 364 103 103 ASN H H 8.708 0.020 1 365 103 103 ASN CA C 52.964 0.3 1 366 103 103 ASN CB C 38.151 0.3 1 367 103 103 ASN N N 119.884 0.3 1 368 104 104 GLU H H 8.565 0.020 1 369 104 104 GLU CA C 56.223 0.3 1 370 104 104 GLU CB C 29.280 0.3 1 371 104 104 GLU N N 121.307 0.3 1 372 105 105 GLU H H 8.558 0.020 1 373 105 105 GLU CA C 56.410 0.3 1 374 105 105 GLU CB C 29.226 0.3 1 375 105 105 GLU N N 121.763 0.3 1 376 106 106 GLY H H 8.519 0.020 1 377 106 106 GLY CA C 44.547 0.3 1 378 106 106 GLY N N 110.121 0.3 1 379 107 107 ALA H H 8.206 0.020 1 380 107 107 ALA CA C 50.051 0.3 1 381 107 107 ALA CB C 17.256 0.3 1 382 107 107 ALA N N 124.828 0.3 1 383 109 109 GLN H H 8.672 0.020 1 384 109 109 GLN CA C 55.208 0.3 1 385 109 109 GLN CB C 28.745 0.3 1 386 109 109 GLN N N 121.100 0.3 1 387 110 110 GLU H H 8.619 0.020 1 388 110 110 GLU CA C 56.170 0.3 1 389 110 110 GLU CB C 29.547 0.3 1 390 110 110 GLU N N 122.508 0.3 1 391 111 111 GLY H H 8.565 0.020 1 392 111 111 GLY CA C 44.761 0.3 1 393 111 111 GLY N N 110.163 0.3 1 394 112 112 ILE H H 8.091 0.020 1 395 112 112 ILE CA C 60.445 0.3 1 396 112 112 ILE CB C 37.616 0.3 1 397 112 112 ILE N N 120.271 0.3 1 398 113 113 LEU H H 8.504 0.020 1 399 113 113 LEU CA C 54.513 0.3 1 400 113 113 LEU CB C 41.250 0.3 1 401 113 113 LEU N N 127.024 0.3 1 402 114 114 GLU H H 8.512 0.020 1 403 114 114 GLU CA C 55.929 0.3 1 404 114 114 GLU CB C 29.547 0.3 1 405 114 114 GLU N N 122.218 0.3 1 406 115 115 ASP H H 8.458 0.020 1 407 115 115 ASP CA C 53.899 0.3 1 408 115 115 ASP CB C 40.448 0.3 1 409 115 115 ASP N N 121.390 0.3 1 410 116 116 MET H H 8.366 0.020 1 411 116 116 MET CA C 52.777 0.3 1 412 116 116 MET CB C 31.578 0.3 1 413 116 116 MET N N 122.011 0.3 1 414 118 118 VAL H H 8.389 0.020 1 415 118 118 VAL CA C 61.434 0.3 1 416 118 118 VAL CB C 32.059 0.3 1 417 118 118 VAL N N 120.810 0.3 1 418 119 119 ASP H H 8.619 0.020 1 419 119 119 ASP CA C 51.788 0.3 1 420 119 119 ASP CB C 40.342 0.3 1 421 119 119 ASP N N 125.905 0.3 1 422 121 121 ASP H H 8.473 0.020 1 423 121 121 ASP CA C 54.166 0.3 1 424 121 121 ASP CB C 40.288 0.3 1 425 121 121 ASP N N 119.277 0.3 1 426 122 122 ASN H H 8.221 0.020 1 427 122 122 ASN CA C 53.071 0.3 1 428 122 122 ASN CB C 38.685 0.3 1 429 122 122 ASN N N 119.028 0.3 1 430 123 123 GLU H H 8.466 0.020 1 431 123 123 GLU CA C 56.357 0.3 1 432 123 123 GLU CB C 29.226 0.3 1 433 123 123 GLU N N 121.680 0.3 1 434 124 124 ALA H H 8.320 0.020 1 435 124 124 ALA CA C 51.841 0.3 1 436 124 124 ALA CB C 18.271 0.3 1 437 124 124 ALA N N 124.455 0.3 1 438 125 125 TYR H H 8.145 0.020 1 439 125 125 TYR CA C 57.346 0.3 1 440 125 125 TYR CB C 38.311 0.3 1 441 125 125 TYR N N 120.105 0.3 1 442 126 126 GLU H H 8.236 0.020 1 443 126 126 GLU CA C 55.155 0.3 1 444 126 126 GLU CB C 29.814 0.3 1 445 126 126 GLU N N 123.875 0.3 1 446 127 127 MET H H 8.527 0.020 1 447 127 127 MET CA C 52.857 0.3 1 448 127 127 MET CB C 31.524 0.3 1 449 127 127 MET N N 123.917 0.3 1 450 129 129 SER H H 8.588 0.020 1 451 129 129 SER CA C 57.880 0.3 1 452 129 129 SER CB C 63.641 0.3 1 453 129 129 SER N N 116.791 0.3 1 454 130 130 GLU H H 8.672 0.020 1 455 130 130 GLU CA C 56.010 0.3 1 456 130 130 GLU CB C 29.387 0.3 1 457 130 130 GLU N N 123.213 0.3 1 458 131 131 GLU H H 8.565 0.020 1 459 131 131 GLU CA C 56.357 0.3 1 460 131 131 GLU CB C 29.333 0.3 1 461 131 131 GLU N N 122.053 0.3 1 462 132 132 GLY H H 8.504 0.020 1 463 132 132 GLY CA C 44.734 0.3 1 464 132 132 GLY N N 109.914 0.3 1 465 133 133 TYR H H 8.175 0.020 1 466 133 133 TYR CA C 57.639 0.3 1 467 133 133 TYR CB C 38.097 0.3 1 468 133 133 TYR N N 120.354 0.3 1 469 134 134 GLN H H 8.305 0.020 1 470 134 134 GLN CA C 54.861 0.3 1 471 134 134 GLN CB C 29.066 0.3 1 472 134 134 GLN N N 122.798 0.3 1 473 135 135 ASP H H 8.328 0.020 1 474 135 135 ASP CA C 53.819 0.3 1 475 135 135 ASP CB C 40.448 0.3 1 476 135 135 ASP N N 121.680 0.3 1 477 136 136 TYR H H 8.145 0.020 1 478 136 136 TYR CA C 57.132 0.3 1 479 136 136 TYR CB C 38.418 0.3 1 480 136 136 TYR N N 120.478 0.3 1 481 137 137 GLU H H 8.359 0.020 1 482 137 137 GLU CA C 53.151 0.3 1 483 137 137 GLU CB C 29.333 0.3 1 484 137 137 GLU N N 125.367 0.3 1 485 139 139 GLU H H 8.603 0.020 1 486 139 139 GLU CA C 56.143 0.3 1 487 139 139 GLU CB C 29.387 0.3 1 488 139 139 GLU N N 121.514 0.3 1 489 140 140 ALA H H 8.091 0.020 1 490 140 140 ALA CA C 53.391 0.3 1 491 140 140 ALA CB C 19.233 0.3 1 492 140 140 ALA N N 130.795 0.3 1 stop_ save_