data_16303 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SLAS-bound SaS synuclein variant ; _BMRB_accession_number 16303 _BMRB_flat_file_name bmr16303.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" 133 "13C chemical shifts" 380 "15N chemical shifts" 133 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' 16301 'free SaS' 16302 aS-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 $SLAS-bound_SaS stop_ _System_molecular_weight . _System_physical_state 'SLAS micelle-bound' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SLAS-bound_SaS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SLAS-bound_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 2014-12-08 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 16301 SaS 100.00 140 100.00 100.00 7.61e-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 $SLAS-bound_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 $SLAS-bound_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 $SLAS-bound_SaS 0.75 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'sodium lauroyl sarcosinate' 75 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % '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' 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_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 0.05 . M pH 7.4 . pH pressure 1 . atm temperature 298.2 . 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 4.771 internal indirect . . . 0.25144954 water H 1 protons ppm 4.771 internal direct . . . 1 water N 15 protons ppm 4.771 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 HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' 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 8.312 0.020 1 2 3 3 VAL C C 176.310 0.3 1 3 3 3 VAL CA C 63.588 0.3 1 4 3 3 VAL CB C 31.350 0.3 1 5 3 3 VAL N N 119.325 0.3 1 6 4 4 PHE H H 8.150 0.020 1 7 4 4 PHE C C 176.417 0.3 1 8 4 4 PHE CA C 59.034 0.3 1 9 4 4 PHE CB C 38.004 0.3 1 10 4 4 PHE N N 120.846 0.3 1 11 5 5 MET H H 8.217 0.020 1 12 5 5 MET C C 177.987 0.3 1 13 5 5 MET CA C 56.454 0.3 1 14 5 5 MET CB C 30.924 0.3 1 15 5 5 MET N N 119.245 0.3 1 16 6 6 LYS H H 8.299 0.020 1 17 6 6 LYS C C 178.614 0.3 1 18 6 6 LYS CA C 57.549 0.3 1 19 6 6 LYS CB C 31.244 0.3 1 20 6 6 LYS N N 120.707 0.3 1 21 7 7 GLY H H 8.345 0.020 1 22 7 7 GLY C C 175.468 0.3 1 23 7 7 GLY CA C 46.007 0.3 1 24 7 7 GLY N N 108.760 0.3 1 25 8 8 LEU H H 8.306 0.020 1 26 8 8 LEU C C 178.022 0.3 1 27 8 8 LEU CA C 56.614 0.3 1 28 8 8 LEU CB C 40.678 0.3 1 29 8 8 LEU N N 123.407 0.3 1 30 9 9 GLU H H 8.273 0.020 1 31 9 9 GLU C C 178.768 0.3 1 32 9 9 GLU CA C 58.965 0.3 1 33 9 9 GLU CB C 28.689 0.3 1 34 9 9 GLU N N 120.366 0.3 1 35 10 10 LYS H H 8.239 0.020 1 36 10 10 LYS C C 178.652 0.3 1 37 10 10 LYS CA C 57.677 0.3 1 38 10 10 LYS CB C 30.973 0.3 1 39 10 10 LYS N N 119.966 0.3 1 40 11 11 THR H H 8.066 0.020 1 41 11 11 THR C C 175.973 0.3 1 42 11 11 THR CA C 65.689 0.3 1 43 11 11 THR CB C 67.722 0.3 1 44 11 11 THR N N 116.684 0.3 1 45 12 12 LYS H H 8.318 0.020 1 46 12 12 LYS C C 178.342 0.3 1 47 12 12 LYS CA C 59.206 0.3 1 48 12 12 LYS CB C 31.297 0.3 1 49 12 12 LYS N N 121.446 0.3 1 50 13 13 GLU H H 7.893 0.020 1 51 13 13 GLU C C 178.058 0.3 1 52 13 13 GLU CA C 58.137 0.3 1 53 13 13 GLU CB C 28.689 0.3 1 54 13 13 GLU N N 119.325 0.3 1 55 14 14 GLN H H 7.949 0.020 1 56 14 14 GLN C C 178.058 0.3 1 57 14 14 GLN CA C 57.148 0.3 1 58 14 14 GLN CB C 28.050 0.3 1 59 14 14 GLN N N 118.125 0.3 1 60 15 15 VAL H H 8.116 0.020 1 61 15 15 VAL C C 176.869 0.3 1 62 15 15 VAL CA C 64.202 0.3 1 63 15 15 VAL CB C 30.924 0.3 1 64 15 15 VAL N N 117.925 0.3 1 65 16 16 THR H H 7.910 0.020 1 66 16 16 THR C C 175.175 0.3 1 67 16 16 THR CA C 63.693 0.3 1 68 16 16 THR CB C 68.624 0.3 1 69 16 16 THR N N 113.963 0.3 1 70 17 17 ASN H H 7.988 0.020 1 71 17 17 ASN C C 175.698 0.3 1 72 17 17 ASN CA C 53.568 0.3 1 73 17 17 ASN CB C 38.430 0.3 1 74 17 17 ASN N N 119.926 0.3 1 75 18 18 VAL H H 7.817 0.020 1 76 18 18 VAL C C 176.772 0.3 1 77 18 18 VAL CA C 63.053 0.3 1 78 18 18 VAL CB C 31.137 0.3 1 79 18 18 VAL N N 119.979 0.3 1 80 19 19 GLY H H 8.580 0.020 1 81 19 19 GLY C C 174.661 0.3 1 82 19 19 GLY CA C 45.406 0.3 1 83 19 19 GLY N N 111.882 0.3 1 84 20 20 SER H H 8.306 0.020 1 85 20 20 SER C C 175.849 0.3 1 86 20 20 SER CA C 60.072 0.3 1 87 20 20 SER CB C 62.862 0.3 1 88 20 20 SER N N 116.484 0.3 1 89 21 21 LYS H H 8.536 0.020 1 90 21 21 LYS C C 178.395 0.3 1 91 21 21 LYS CA C 57.442 0.3 1 92 21 21 LYS CB C 31.350 0.3 1 93 21 21 LYS N N 122.967 0.3 1 94 22 22 THR H H 8.088 0.020 1 95 22 22 THR C C 175.468 0.3 1 96 22 22 THR CA C 64.095 0.3 1 97 22 22 THR CB C 68.451 0.3 1 98 22 22 THR N N 116.364 0.3 1 99 23 23 LYS H H 8.278 0.020 1 100 23 23 LYS C C 177.499 0.3 1 101 23 23 LYS CA C 59.259 0.3 1 102 23 23 LYS CB C 31.350 0.3 1 103 23 23 LYS N N 122.047 0.3 1 104 24 24 GLU H H 8.345 0.020 1 105 24 24 GLU C C 178.581 0.3 1 106 24 24 GLU CA C 58.289 0.3 1 107 24 24 GLU CB C 28.693 0.3 1 108 24 24 GLU N N 118.565 0.3 1 109 25 25 GLY H H 8.189 0.020 1 110 25 25 GLY C C 176.106 0.3 1 111 25 25 GLY CA C 46.178 0.3 1 112 25 25 GLY N N 108.440 0.3 1 113 26 26 VAL H H 8.206 0.020 1 114 26 26 VAL C C 177.064 0.3 1 115 26 26 VAL CA C 65.405 0.3 1 116 26 26 VAL CB C 30.658 0.3 1 117 26 26 VAL N N 122.087 0.3 1 118 27 27 VAL H H 8.206 0.020 1 119 27 27 VAL C C 178.200 0.3 1 120 27 27 VAL CA C 65.779 0.3 1 121 27 27 VAL CB C 30.871 0.3 1 122 27 27 VAL N N 120.326 0.3 1 123 28 28 HIS H H 8.362 0.020 1 124 28 28 HIS C C 177.464 0.3 1 125 28 28 HIS CA C 57.656 0.3 1 126 28 28 HIS CB C 28.635 0.3 1 127 28 28 HIS N N 119.165 0.3 1 128 29 29 GLY H H 8.457 0.020 1 129 29 29 GLY C C 174.882 0.3 1 130 29 29 GLY CA C 46.497 0.3 1 131 29 29 GLY N N 109.400 0.3 1 132 30 30 VAL H H 8.603 0.020 1 133 30 30 VAL C C 177.907 0.3 1 134 30 30 VAL CA C 65.698 0.3 1 135 30 30 VAL CB C 30.445 0.3 1 136 30 30 VAL N N 120.926 0.3 1 137 31 31 GLY H H 8.295 0.020 1 138 31 31 GLY C C 175.760 0.3 1 139 31 31 GLY CA C 46.870 0.3 1 140 31 31 GLY N N 107.560 0.3 1 141 32 32 ALA H H 7.904 0.020 1 142 32 32 ALA C C 180.249 0.3 1 143 32 32 ALA CA C 54.156 0.3 1 144 32 32 ALA CB C 17.404 0.3 1 145 32 32 ALA N N 124.008 0.3 1 146 33 33 VAL H H 7.809 0.020 1 147 33 33 VAL C C 177.623 0.3 1 148 33 33 VAL CA C 65.343 0.3 1 149 33 33 VAL CB C 30.818 0.3 1 150 33 33 VAL N N 118.885 0.3 1 151 34 34 VAL H H 8.284 0.020 1 152 34 34 VAL C C 178.351 0.3 1 153 34 34 VAL CA C 66.019 0.3 1 154 34 34 VAL CB C 30.765 0.3 1 155 34 34 VAL N N 119.285 0.3 1 156 35 35 THR H H 8.272 0.020 1 157 35 35 THR C C 176.528 0.3 1 158 35 35 THR CA C 65.030 0.3 1 159 35 35 THR CB C 68.200 0.3 1 160 35 35 THR N N 115.390 0.3 1 161 36 36 GLY H H 8.088 0.020 1 162 36 36 GLY C C 175.175 0.3 1 163 36 36 GLY CA C 46.407 0.3 1 164 36 36 GLY N N 110.481 0.3 1 165 37 37 VAL H H 8.368 0.020 1 166 37 37 VAL C C 177.313 0.3 1 167 37 37 VAL CA C 64.924 0.3 1 168 37 37 VAL CB C 30.761 0.3 1 169 37 37 VAL N N 120.446 0.3 1 170 38 38 THR H H 8.049 0.020 1 171 38 38 THR C C 175.468 0.3 1 172 38 38 THR CA C 64.870 0.3 1 173 38 38 THR CB C 68.253 0.3 1 174 38 38 THR N N 115.083 0.3 1 175 39 39 ALA H H 7.876 0.020 1 176 39 39 ALA C C 179.353 0.3 1 177 39 39 ALA CA C 53.488 0.3 1 178 39 39 ALA CB C 17.777 0.3 1 179 39 39 ALA N N 124.168 0.3 1 180 40 40 VAL H H 7.764 0.020 1 181 40 40 VAL C C 177.171 0.3 1 182 40 40 VAL CA C 63.693 0.3 1 183 40 40 VAL CB C 30.973 0.3 1 184 40 40 VAL N N 118.165 0.3 1 185 41 41 ALA H H 8.429 0.020 1 186 41 41 ALA C C 178.812 0.3 1 187 41 41 ALA CA C 53.764 0.3 1 188 41 41 ALA CB C 17.557 0.3 1 189 41 41 ALA N N 126.009 0.3 1 190 42 42 GLU H H 8.303 0.020 1 191 42 42 GLU C C 178.324 0.3 1 192 42 42 GLU CA C 58.377 0.3 1 193 42 42 GLU CB C 28.635 0.3 1 194 42 42 GLU N N 119.207 0.3 1 195 43 43 LYS H H 8.136 0.020 1 196 43 43 LYS C C 178.209 0.3 1 197 43 43 LYS CA C 57.517 0.3 1 198 43 43 LYS CB C 31.398 0.3 1 199 43 43 LYS N N 118.878 0.3 1 200 44 44 THR H H 7.816 0.020 1 201 44 44 THR C C 175.352 0.3 1 202 44 44 THR CA C 63.374 0.3 1 203 44 44 THR CB C 68.664 0.3 1 204 44 44 THR N N 114.131 0.3 1 205 45 45 LYS H H 8.189 0.020 1 206 45 45 LYS C C 177.543 0.3 1 207 45 45 LYS CA C 58.591 0.3 1 208 45 45 LYS CB C 30.871 0.3 1 209 45 45 LYS N N 121.807 0.3 1 210 46 46 GLN H H 8.223 0.020 1 211 46 46 GLN C C 177.561 0.3 1 212 46 46 GLN CA C 57.068 0.3 1 213 46 46 GLN CB C 28.156 0.3 1 214 46 46 GLN N N 118.605 0.3 1 215 47 47 GLY H H 8.245 0.020 1 216 47 47 GLY C C 176.062 0.3 1 217 47 47 GLY CA C 45.793 0.3 1 218 47 47 GLY N N 108.560 0.3 1 219 48 48 VAL H H 8.297 0.020 1 220 48 48 VAL C C 176.830 0.3 1 221 48 48 VAL CA C 65.378 0.3 1 222 48 48 VAL CB C 30.814 0.3 1 223 48 48 VAL N N 121.948 0.3 1 224 49 49 ALA H H 8.318 0.020 1 225 49 49 ALA C C 180.071 0.3 1 226 49 49 ALA CA C 54.904 0.3 1 227 49 49 ALA CB C 17.133 0.3 1 228 49 49 ALA N N 123.047 0.3 1 229 50 50 GLU H H 8.267 0.020 1 230 50 50 GLU C C 179.025 0.3 1 231 50 50 GLU CA C 58.671 0.3 1 232 50 50 GLU CB C 28.210 0.3 1 233 50 50 GLU N N 118.605 0.3 1 234 51 51 ALA H H 8.077 0.020 1 235 51 51 ALA C C 179.592 0.3 1 236 51 51 ALA CA C 54.289 0.3 1 237 51 51 ALA CB C 17.564 0.3 1 238 51 51 ALA N N 123.287 0.3 1 239 52 52 ALA H H 8.597 0.020 1 240 52 52 ALA C C 178.661 0.3 1 241 52 52 ALA CA C 54.583 0.3 1 242 52 52 ALA CB C 17.511 0.3 1 243 52 52 ALA N N 120.566 0.3 1 244 53 53 ALA H H 8.032 0.020 1 245 53 53 ALA C C 180.515 0.3 1 246 53 53 ALA CA C 54.583 0.3 1 247 53 53 ALA CB C 17.138 0.3 1 248 53 53 ALA N N 119.846 0.3 1 249 54 54 THR H H 8.044 0.020 1 250 54 54 THR C C 176.648 0.3 1 251 54 54 THR CA C 65.662 0.3 1 252 54 54 THR CB C 68.147 0.3 1 253 54 54 THR N N 116.284 0.3 1 254 55 55 VAL H H 8.133 0.020 1 255 55 55 VAL C C 177.277 0.3 1 256 55 55 VAL CA C 65.805 0.3 1 257 55 55 VAL CB C 30.445 0.3 1 258 55 55 VAL N N 121.927 0.3 1 259 56 56 ALA H H 8.446 0.020 1 260 56 56 ALA C C 179.176 0.3 1 261 56 56 ALA CA C 55.011 0.3 1 262 56 56 ALA CB C 17.375 0.3 1 263 56 56 ALA N N 121.767 0.3 1 264 57 57 SER H H 8.060 0.020 1 265 57 57 SER C C 176.967 0.3 1 266 57 57 SER CA C 61.244 0.3 1 267 57 57 SER CB C 62.366 0.3 1 268 57 57 SER N N 112.722 0.3 1 269 58 58 LYS H H 7.943 0.020 1 270 58 58 LYS C C 179.096 0.3 1 271 58 58 LYS CA C 57.863 0.3 1 272 58 58 LYS CB C 31.292 0.3 1 273 58 58 LYS N N 121.967 0.3 1 274 59 59 ALA H H 8.446 0.020 1 275 59 59 ALA C C 178.620 0.3 1 276 59 59 ALA CA C 54.370 0.3 1 277 59 59 ALA CB C 17.457 0.3 1 278 59 59 ALA N N 122.577 0.3 1 279 60 60 LYS H H 8.139 0.020 1 280 60 60 LYS C C 177.978 0.3 1 281 60 60 LYS CA C 59.526 0.3 1 282 60 60 LYS CB C 31.244 0.3 1 283 60 60 LYS N N 117.965 0.3 1 284 61 61 GLU H H 8.021 0.020 1 285 61 61 GLU C C 179.468 0.3 1 286 61 61 GLU CA C 58.475 0.3 1 287 61 61 GLU CB C 28.693 0.3 1 288 61 61 GLU N N 117.645 0.3 1 289 62 62 GLY H H 8.256 0.020 1 290 62 62 GLY C C 175.397 0.3 1 291 62 62 GLY CA C 46.354 0.3 1 292 62 62 GLY N N 108.120 0.3 1 293 63 63 VAL H H 8.223 0.020 1 294 63 63 VAL C C 177.268 0.3 1 295 63 63 VAL CA C 65.672 0.3 1 296 63 63 VAL CB C 30.658 0.3 1 297 63 63 VAL N N 122.007 0.3 1 298 64 64 VAL H H 8.049 0.020 1 299 64 64 VAL C C 178.572 0.3 1 300 64 64 VAL CA C 65.698 0.3 1 301 64 64 VAL CB C 30.871 0.3 1 302 64 64 VAL N N 120.166 0.3 1 303 65 65 ALA H H 7.999 0.020 1 304 65 65 ALA C C 179.761 0.3 1 305 65 65 ALA CA C 53.782 0.3 1 306 65 65 ALA CB C 17.557 0.3 1 307 65 65 ALA N N 122.727 0.3 1 308 66 66 ALA H H 8.021 0.020 1 309 66 66 ALA C C 178.945 0.3 1 310 66 66 ALA CA C 53.541 0.3 1 311 66 66 ALA CB C 17.564 0.3 1 312 66 66 ALA N N 121.166 0.3 1 313 67 67 ALA H H 8.284 0.020 1 314 67 67 ALA C C 179.105 0.3 1 315 67 67 ALA CA C 53.702 0.3 1 316 67 67 ALA CB C 17.617 0.3 1 317 67 67 ALA N N 121.486 0.3 1 318 68 68 GLY H H 8.189 0.020 1 319 68 68 GLY C C 175.317 0.3 1 320 68 68 GLY CA C 45.938 0.3 1 321 68 68 GLY N N 106.559 0.3 1 322 69 69 LYS H H 7.938 0.020 1 323 69 69 LYS C C 177.792 0.3 1 324 69 69 LYS CA C 56.667 0.3 1 325 69 69 LYS CB C 31.716 0.3 1 326 69 69 LYS N N 120.745 0.3 1 327 70 70 THR H H 8.016 0.020 1 328 70 70 THR C C 175.601 0.3 1 329 70 70 THR CA C 63.693 0.3 1 330 70 70 THR CB C 68.624 0.3 1 331 70 70 THR N N 114.603 0.3 1 332 71 71 LYS H H 8.284 0.020 1 333 71 71 LYS C C 177.455 0.3 1 334 71 71 LYS CA C 58.084 0.3 1 335 71 71 LYS CB C 31.345 0.3 1 336 71 71 LYS N N 122.647 0.3 1 337 72 72 GLU H H 8.245 0.020 1 338 72 72 GLU C C 178.209 0.3 1 339 72 72 GLU CA C 57.683 0.3 1 340 72 72 GLU CB C 28.635 0.3 1 341 72 72 GLU N N 118.885 0.3 1 342 73 73 GLY H H 8.267 0.020 1 343 73 73 GLY C C 174.604 0.3 1 344 73 73 GLY CA C 45.980 0.3 1 345 73 73 GLY N N 109.040 0.3 1 346 74 74 VAL H H 8.032 0.020 1 347 74 74 VAL C C 176.648 0.3 1 348 74 74 VAL CA C 63.908 0.3 1 349 74 74 VAL CB C 30.871 0.3 1 350 74 74 VAL N N 120.246 0.3 1 351 75 75 LEU H H 8.150 0.020 1 352 75 75 LEU C C 177.606 0.3 1 353 75 75 LEU CA C 56.053 0.3 1 354 75 75 LEU CB C 40.665 0.3 1 355 75 75 LEU N N 122.247 0.3 1 356 76 76 TYR H H 8.045 0.020 1 357 76 76 TYR C C 176.408 0.3 1 358 76 76 TYR CA C 59.179 0.3 1 359 76 76 TYR CB C 38.010 0.3 1 360 76 76 TYR N N 120.658 0.3 1 361 77 77 VAL H H 8.083 0.020 1 362 77 77 VAL C C 177.552 0.3 1 363 77 77 VAL CA C 63.614 0.3 1 364 77 77 VAL CB C 31.137 0.3 1 365 77 77 VAL N N 119.606 0.3 1 366 78 78 GLY H H 8.446 0.020 1 367 78 78 GLY C C 174.368 0.3 1 368 78 78 GLY CA C 46.033 0.3 1 369 78 78 GLY N N 111.001 0.3 1 370 79 79 GLN H H 8.295 0.020 1 371 79 79 GLN C C 177.606 0.3 1 372 79 79 GLN CA C 57.576 0.3 1 373 79 79 GLN CB C 27.784 0.3 1 374 79 79 GLN N N 121.046 0.3 1 375 80 80 LYS H H 8.344 0.020 1 376 80 80 LYS C C 178.452 0.3 1 377 80 80 LYS CA C 57.015 0.3 1 378 80 80 LYS CB C 31.031 0.3 1 379 80 80 LYS N N 119.969 0.3 1 380 81 81 THR H H 8.116 0.020 1 381 81 81 THR C C 175.494 0.3 1 382 81 81 THR CA C 64.576 0.3 1 383 81 81 THR CB C 68.185 0.3 1 384 81 81 THR N N 117.004 0.3 1 385 82 82 VAL H H 7.999 0.020 1 386 82 82 VAL C C 177.614 0.3 1 387 82 82 VAL CA C 64.496 0.3 1 388 82 82 VAL CB C 30.978 0.3 1 389 82 82 VAL N N 121.687 0.3 1 390 83 83 GLU H H 8.306 0.020 1 391 83 83 GLU C C 178.501 0.3 1 392 83 83 GLU CA C 57.736 0.3 1 393 83 83 GLU CB C 28.848 0.3 1 394 83 83 GLU N N 121.918 0.3 1 395 84 84 GLY H H 8.306 0.020 1 396 84 84 GLY C C 174.811 0.3 1 397 84 84 GLY CA C 45.713 0.3 1 398 84 84 GLY N N 109.200 0.3 1 399 85 85 ALA H H 8.323 0.020 1 400 85 85 ALA C C 178.821 0.3 1 401 85 85 ALA CA C 53.621 0.3 1 402 85 85 ALA CB C 17.990 0.3 1 403 85 85 ALA N N 124.128 0.3 1 404 86 86 GLY H H 8.407 0.020 1 405 86 86 GLY C C 175.548 0.3 1 406 86 86 GLY CA C 45.991 0.3 1 407 86 86 GLY N N 106.719 0.3 1 408 87 87 SER H H 8.116 0.020 1 409 87 87 SER C C 176.231 0.3 1 410 87 87 SER CA C 59.847 0.3 1 411 87 87 SER CB C 62.862 0.3 1 412 87 87 SER N N 117.364 0.3 1 413 88 88 ILE H H 8.211 0.020 1 414 88 88 ILE C C 177.754 0.3 1 415 88 88 ILE CA C 63.240 0.3 1 416 88 88 ILE CB C 36.726 0.3 1 417 88 88 ILE N N 123.084 0.3 1 418 89 89 ALA H H 8.413 0.020 1 419 89 89 ALA C C 179.291 0.3 1 420 89 89 ALA CA C 54.209 0.3 1 421 89 89 ALA CB C 17.351 0.3 1 422 89 89 ALA N N 124.488 0.3 1 423 90 90 ALA H H 8.053 0.020 1 424 90 90 ALA C C 179.451 0.3 1 425 90 90 ALA CA C 53.541 0.3 1 426 90 90 ALA CB C 17.617 0.3 1 427 90 90 ALA N N 120.658 0.3 1 428 91 91 ALA H H 7.992 0.020 1 429 91 91 ALA C C 178.581 0.3 1 430 91 91 ALA CA C 53.515 0.3 1 431 91 91 ALA CB C 18.043 0.3 1 432 91 91 ALA N N 121.143 0.3 1 433 92 92 THR H H 7.820 0.020 1 434 92 92 THR C C 175.432 0.3 1 435 92 92 THR CA C 62.628 0.3 1 436 92 92 THR CB C 69.313 0.3 1 437 92 92 THR N N 108.400 0.3 1 438 93 93 GLY H H 7.904 0.020 1 439 93 93 GLY C C 174.492 0.3 1 440 93 93 GLY CA C 45.379 0.3 1 441 93 93 GLY N N 108.880 0.3 1 442 94 94 PHE H H 7.949 0.020 1 443 94 94 PHE C C 175.441 0.3 1 444 94 94 PHE CA C 58.511 0.3 1 445 94 94 PHE CB C 38.909 0.3 1 446 94 94 PHE N N 120.126 0.3 1 447 95 95 VAL H H 7.647 0.020 1 448 95 95 VAL CA C 61.370 0.3 1 449 95 95 VAL CB C 32.193 0.3 1 450 95 95 VAL N N 119.445 0.3 1 451 96 96 LYS H H 8.284 0.020 1 452 96 96 LYS C C 176.674 0.3 1 453 96 96 LYS CA C 55.812 0.3 1 454 96 96 LYS CB C 31.776 0.3 1 455 96 96 LYS N N 124.888 0.3 1 456 97 97 LYS H H 8.429 0.020 1 457 97 97 LYS C C 176.665 0.3 1 458 97 97 LYS CA C 56.240 0.3 1 459 97 97 LYS CB C 31.829 0.3 1 460 97 97 LYS N N 123.447 0.3 1 461 98 98 ASP H H 8.390 0.020 1 462 98 98 ASP C C 176.355 0.3 1 463 98 98 ASP CA C 54.183 0.3 1 464 98 98 ASP CB C 40.239 0.3 1 465 98 98 ASP N N 121.286 0.3 1 466 99 99 GLN H H 8.318 0.020 1 467 99 99 GLN C C 176.284 0.3 1 468 99 99 GLN CA C 55.385 0.3 1 469 99 99 GLN CB C 28.210 0.3 1 470 99 99 GLN N N 120.726 0.3 1 471 100 100 LEU H H 8.211 0.020 1 472 100 100 LEU C C 178.085 0.3 1 473 100 100 LEU CA C 55.144 0.3 1 474 100 100 LEU CB C 41.102 0.3 1 475 100 100 LEU N N 123.007 0.3 1 476 101 101 GLY H H 8.413 0.020 1 477 101 101 GLY C C 174.208 0.3 1 478 101 101 GLY CA C 44.927 0.3 1 479 101 101 GLY N N 110.001 0.3 1 480 102 102 LYS H H 8.111 0.020 1 481 102 102 LYS C C 176.435 0.3 1 482 102 102 LYS CA C 55.786 0.3 1 483 102 102 LYS CB C 31.829 0.3 1 484 102 102 LYS N N 121.166 0.3 1 485 103 103 ASN H H 8.530 0.020 1 486 103 103 ASN C C 175.166 0.3 1 487 103 103 ASN CA C 52.954 0.3 1 488 103 103 ASN CB C 38.004 0.3 1 489 103 103 ASN N N 120.446 0.3 1 490 104 104 GLU H H 8.429 0.020 1 491 104 104 GLU C C 176.514 0.3 1 492 104 104 GLU CA C 56.080 0.3 1 493 104 104 GLU CB C 29.115 0.3 1 494 104 104 GLU N N 122.127 0.3 1 495 105 105 GLU H H 8.441 0.020 1 496 105 105 GLU C C 177.020 0.3 1 497 105 105 GLU CA C 56.320 0.3 1 498 105 105 GLU CB C 29.115 0.3 1 499 105 105 GLU N N 122.687 0.3 1 500 106 106 GLY H H 8.379 0.020 1 501 106 106 GLY C C 173.401 0.3 1 502 106 106 GLY CA C 44.484 0.3 1 503 106 106 GLY N N 110.561 0.3 1 504 107 107 ALA H H 8.122 0.020 1 505 107 107 ALA C C 175.681 0.3 1 506 107 107 ALA CA C 50.064 0.3 1 507 107 107 ALA CB C 17.186 0.3 1 508 107 107 ALA N N 125.488 0.3 1 509 109 109 GLN H H 8.530 0.020 1 510 109 109 GLN C C 176.027 0.3 1 511 109 109 GLN CA C 55.198 0.3 1 512 109 109 GLN CB C 28.689 0.3 1 513 109 109 GLN N N 121.566 0.3 1 514 110 110 GLU H H 8.474 0.020 1 515 110 110 GLU C C 176.878 0.3 1 516 110 110 GLU CA C 56.160 0.3 1 517 110 110 GLU CB C 29.540 0.3 1 518 110 110 GLU N N 123.047 0.3 1 519 111 111 GLY H H 8.429 0.020 1 520 111 111 GLY C C 173.756 0.3 1 521 111 111 GLY CA C 44.767 0.3 1 522 111 111 GLY N N 110.641 0.3 1 523 112 112 ILE H H 7.965 0.020 1 524 112 112 ILE C C 176.239 0.3 1 525 112 112 ILE CA C 60.488 0.3 1 526 112 112 ILE CB C 37.578 0.3 1 527 112 112 ILE N N 120.766 0.3 1 528 113 113 LEU H H 8.351 0.020 1 529 113 113 LEU C C 177.100 0.3 1 530 113 113 LEU CA C 54.536 0.3 1 531 113 113 LEU CB C 41.208 0.3 1 532 113 113 LEU N N 127.489 0.3 1 533 114 114 GLU H H 8.373 0.020 1 534 114 114 GLU C C 175.902 0.3 1 535 114 114 GLU CA C 55.919 0.3 1 536 114 114 GLU CB C 29.540 0.3 1 537 114 114 GLU N N 122.807 0.3 1 538 115 115 ASP H H 8.318 0.020 1 539 115 115 ASP C C 175.769 0.3 1 540 115 115 ASP CA C 53.809 0.3 1 541 115 115 ASP CB C 40.452 0.3 1 542 115 115 ASP N N 122.007 0.3 1 543 116 116 MET H H 8.228 0.020 1 544 116 116 MET C C 174.111 0.3 1 545 116 116 MET CA C 52.766 0.3 1 546 116 116 MET CB C 31.350 0.3 1 547 116 116 MET N N 122.527 0.3 1 548 118 118 VAL H H 8.228 0.020 1 549 118 118 VAL C C 175.805 0.3 1 550 118 118 VAL CA C 61.397 0.3 1 551 118 118 VAL CB C 32.095 0.3 1 552 118 118 VAL N N 121.166 0.3 1 553 119 119 ASP H H 8.452 0.020 1 554 119 119 ASP C C 174.732 0.3 1 555 119 119 ASP CA C 51.831 0.3 1 556 119 119 ASP CB C 40.239 0.3 1 557 119 119 ASP N N 126.249 0.3 1 558 121 121 ASP H H 8.340 0.020 1 559 121 121 ASP C C 176.213 0.3 1 560 121 121 ASP CA C 54.129 0.3 1 561 121 121 ASP CB C 40.239 0.3 1 562 121 121 ASP N N 119.886 0.3 1 563 122 122 ASN H H 8.111 0.020 1 564 122 122 ASN C C 175.326 0.3 1 565 122 122 ASN CA C 53.087 0.3 1 566 122 122 ASN CB C 38.430 0.3 1 567 122 122 ASN N N 119.525 0.3 1 568 123 123 GLU H H 8.329 0.020 1 569 123 123 GLU C C 176.062 0.3 1 570 123 123 GLU CA C 56.374 0.3 1 571 123 123 GLU CB C 29.115 0.3 1 572 123 123 GLU N N 122.127 0.3 1 573 124 124 ALA H H 8.167 0.020 1 574 124 124 ALA C C 177.171 0.3 1 575 124 124 ALA CA C 51.831 0.3 1 576 124 124 ALA CB C 18.096 0.3 1 577 124 124 ALA N N 124.928 0.3 1 578 125 125 TYR H H 7.993 0.020 1 579 125 125 TYR C C 175.326 0.3 1 580 125 125 TYR CA C 57.255 0.3 1 581 125 125 TYR CB C 38.057 0.3 1 582 125 125 TYR N N 120.486 0.3 1 583 126 126 GLU H H 8.116 0.020 1 584 126 126 GLU C C 175.459 0.3 1 585 126 126 GLU CA C 55.251 0.3 1 586 126 126 GLU CB C 29.540 0.3 1 587 126 126 GLU N N 124.208 0.3 1 588 127 127 MET H H 8.368 0.020 1 589 127 127 MET C C 174.279 0.3 1 590 127 127 MET CA C 52.847 0.3 1 591 127 127 MET CB C 31.350 0.3 1 592 127 127 MET N N 124.288 0.3 1 593 129 129 SER H H 8.429 0.020 1 594 129 129 SER C C 174.767 0.3 1 595 129 129 SER CA C 57.816 0.3 1 596 129 129 SER CB C 63.533 0.3 1 597 129 129 SER N N 117.164 0.3 1 598 130 130 GLU H H 8.524 0.020 1 599 130 130 GLU C C 176.506 0.3 1 600 130 130 GLU CA C 56.053 0.3 1 601 130 130 GLU CB C 29.327 0.3 1 602 130 130 GLU N N 123.648 0.3 1 603 131 131 GLU H H 8.429 0.020 1 604 131 131 GLU C C 176.976 0.3 1 605 131 131 GLU CA C 56.400 0.3 1 606 131 131 GLU CB C 29.170 0.3 1 607 131 131 GLU N N 122.487 0.3 1 608 132 132 GLY H H 8.351 0.020 1 609 132 132 GLY C C 173.791 0.3 1 610 132 132 GLY CA C 44.714 0.3 1 611 132 132 GLY N N 110.321 0.3 1 612 133 133 TYR H H 8.021 0.020 1 613 133 133 TYR C C 175.690 0.3 1 614 133 133 TYR CA C 57.656 0.3 1 615 133 133 TYR CB C 38.004 0.3 1 616 133 133 TYR N N 120.806 0.3 1 617 134 134 GLN H H 8.172 0.020 1 618 134 134 GLN C C 174.882 0.3 1 619 134 134 GLN CA C 54.931 0.3 1 620 134 134 GLN CB C 28.635 0.3 1 621 134 134 GLN N N 123.167 0.3 1 622 135 135 ASP H H 8.189 0.020 1 623 135 135 ASP C C 175.468 0.3 1 624 135 135 ASP CA C 53.809 0.3 1 625 135 135 ASP CB C 40.506 0.3 1 626 135 135 ASP N N 122.127 0.3 1 627 136 136 TYR H H 7.993 0.020 1 628 136 136 TYR C C 175.024 0.3 1 629 136 136 TYR CA C 57.095 0.3 1 630 136 136 TYR CB C 38.451 0.3 1 631 136 136 TYR N N 120.886 0.3 1 632 137 137 GLU H H 8.211 0.020 1 633 137 137 GLU C C 173.791 0.3 1 634 137 137 GLU CA C 53.178 0.3 1 635 137 137 GLU CB C 29.117 0.3 1 636 137 137 GLU N N 125.809 0.3 1 637 139 139 GLU H H 8.457 0.020 1 638 139 139 GLU C C 175.406 0.3 1 639 139 139 GLU CA C 56.160 0.3 1 640 139 139 GLU CB C 29.115 0.3 1 641 139 139 GLU N N 121.927 0.3 1 642 140 140 ALA H H 7.932 0.020 1 643 140 140 ALA C C 173.091 0.3 1 644 140 140 ALA CA C 53.391 0.3 1 645 140 140 ALA CB C 19.360 0.3 1 646 140 140 ALA N N 131.211 0.3 1 stop_ save_