data_16304 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SLAS-bound beta-synuclein ; _BMRB_accession_number 16304 _BMRB_flat_file_name bmr16304.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" 122 "13C chemical shifts" 344 "15N chemical shifts" 122 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 16303 SaS-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 $beta-synuclein 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_beta-synuclein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common beta-synuclein _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; MDVFMKGLSMAKEGVVAAAE KTKQGVTEAAEKTKEGVLYV GSKTREGVVQGVASVAEKTK EQASHLGGAVFSGAGNIAAA TGLVKREEFPTDLKPEEVAQ EAAEEPLIEPLMEPEGESYE DPPQEEYQEYEPEA ; 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 MET 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 THR 28 GLU 29 ALA 30 ALA 31 GLU 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 ARG 46 GLU 47 GLY 48 VAL 49 VAL 50 GLN 51 GLY 52 VAL 53 ALA 54 SER 55 VAL 56 ALA 57 GLU 58 LYS 59 THR 60 LYS 61 GLU 62 GLN 63 ALA 64 SER 65 HIS 66 LEU 67 GLY 68 GLY 69 ALA 70 VAL 71 PHE 72 SER 73 GLY 74 ALA 75 GLY 76 ASN 77 ILE 78 ALA 79 ALA 80 ALA 81 THR 82 GLY 83 LEU 84 VAL 85 LYS 86 ARG 87 GLU 88 GLU 89 PHE 90 PRO 91 THR 92 ASP 93 LEU 94 LYS 95 PRO 96 GLU 97 GLU 98 VAL 99 ALA 100 GLN 101 GLU 102 ALA 103 ALA 104 GLU 105 GLU 106 PRO 107 LEU 108 ILE 109 GLU 110 PRO 111 LEU 112 MET 113 GLU 114 PRO 115 GLU 116 GLY 117 GLU 118 SER 119 TYR 120 GLU 121 ASP 122 PRO 123 PRO 124 GLN 125 GLU 126 GLU 127 TYR 128 GLN 129 GLU 130 TYR 131 GLU 132 PRO 133 GLU 134 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 15298 beta-synuclein 100.00 134 100.00 100.00 6.69e-86 DBJ BAA04610 "phosphoneuroprotein 14 [Rattus sp.]" 100.00 137 97.76 99.25 2.68e-83 DBJ BAG73791 "synuclein, beta [synthetic construct]" 100.00 134 100.00 100.00 6.69e-86 EMBL CAG33308 "SNCB [Homo sapiens]" 100.00 134 100.00 100.00 6.69e-86 GB AAB28945 "phosphoneuroprotein 14, PNP 14 [cattle, brain, Peptide, 134 aa]" 100.00 134 97.01 99.25 1.35e-82 GB AAB30860 "beta-synuclein [Homo sapiens]" 100.00 134 100.00 100.00 6.69e-86 GB AAC80286 "beta-synuclein [Homo sapiens]" 100.00 134 100.00 100.00 6.69e-86 GB AAH02902 "Synuclein, beta [Homo sapiens]" 100.00 134 100.00 100.00 6.69e-86 GB AAH19409 "Synuclein, beta [Mus musculus]" 100.00 133 97.01 97.76 5.89e-81 PIR I56498 "phosphoneuroprotein 14 - rat" 100.00 137 97.76 99.25 2.68e-83 REF NP_001001502 "beta-synuclein [Homo sapiens]" 100.00 134 100.00 100.00 6.69e-86 REF NP_001068828 "beta-synuclein [Bos taurus]" 100.00 134 97.76 99.25 3.26e-83 REF NP_001106164 "beta-synuclein [Sus scrofa]" 100.00 133 97.01 98.51 3.45e-81 REF NP_001248469 "beta-synuclein [Macaca mulatta]" 100.00 134 100.00 100.00 6.69e-86 REF NP_003076 "beta-synuclein [Homo sapiens]" 100.00 134 100.00 100.00 6.69e-86 SP P33567 "RecName: Full=Beta-synuclein; AltName: Full=14 kDa brain-specific protein; AltName: Full=Phosphoneuroprotein 14; Short=PNP 14" 100.00 134 97.01 99.25 1.35e-82 SP Q16143 "RecName: Full=Beta-synuclein" 100.00 134 100.00 100.00 6.69e-86 SP Q63754 "RecName: Full=Beta-synuclein; AltName: Full=Phosphoneuroprotein 14; Short=PNP 14" 100.00 137 97.76 99.25 2.68e-83 SP Q91ZZ3 "RecName: Full=Beta-synuclein" 100.00 133 97.01 97.76 5.89e-81 TPG DAA27687 "TPA: synuclein, beta [Bos taurus]" 100.00 134 97.01 99.25 2.16e-82 stop_ 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 Human 9606 Eukaryota Metazoa Homo sapiens 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 'recombinant technology' . Escherichia coli . pET-42 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 $beta-synuclein 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 8.435 0.020 1 2 3 3 VAL C C 176.681 0.3 1 3 3 3 VAL CA C 64.393 0.3 1 4 3 3 VAL CB C 30.928 0.3 1 5 3 3 VAL N N 119.844 0.3 1 6 4 4 PHE H H 8.080 0.020 1 7 4 4 PHE C C 176.797 0.3 1 8 4 4 PHE CA C 59.931 0.3 1 9 4 4 PHE CB C 38.008 0.3 1 10 4 4 PHE N N 120.842 0.3 1 11 5 5 MET H H 8.217 0.020 1 12 5 5 MET C C 178.933 0.3 1 13 5 5 MET CA C 56.832 0.3 1 14 5 5 MET CB C 30.449 0.3 1 15 5 5 MET N N 118.324 0.3 1 16 6 6 LYS H H 8.262 0.020 1 17 6 6 LYS C C 179.035 0.3 1 18 6 6 LYS CA C 58.301 0.3 1 19 6 6 LYS CB C 30.928 0.3 1 20 6 6 LYS N N 121.405 0.3 1 21 7 7 GLY H H 8.390 0.020 1 22 7 7 GLY C C 174.824 0.3 1 23 7 7 GLY CA C 46.748 0.3 1 24 7 7 GLY N N 108.359 0.3 1 25 8 8 LEU H H 8.312 0.020 1 26 8 8 LEU C C 178.479 0.3 1 27 8 8 LEU CA C 57.366 0.3 1 28 8 8 LEU CB C 40.616 0.3 1 29 8 8 LEU N N 121.925 0.3 1 30 9 9 SER H H 8.083 0.020 1 31 9 9 SER C C 176.705 0.3 1 32 9 9 SER CA C 61.347 0.3 1 33 9 9 SER CB C 62.493 0.3 1 34 9 9 SER N N 114.562 0.3 1 35 10 10 MET H H 8.037 0.020 1 36 10 10 MET C C 178.356 0.3 1 37 10 10 MET CA C 57.847 0.3 1 38 10 10 MET CB C 32.259 0.3 1 39 10 10 MET N N 121.248 0.3 1 40 11 11 ALA H H 8.303 0.020 1 41 11 11 ALA C C 178.504 0.3 1 42 11 11 ALA CA C 54.196 0.3 1 43 11 11 ALA CB C 17.535 0.3 1 44 11 11 ALA N N 123.020 0.3 1 45 12 12 LYS H H 8.295 0.020 1 46 12 12 LYS C C 177.970 0.3 1 47 12 12 LYS CA C 59.664 0.3 1 48 12 12 LYS CB C 31.141 0.3 1 49 12 12 LYS N N 118.444 0.3 1 50 13 13 GLU H H 8.111 0.020 1 51 13 13 GLU C C 179.674 0.3 1 52 13 13 GLU CA C 58.675 0.3 1 53 13 13 GLU CB C 28.267 0.3 1 54 13 13 GLU N N 117.443 0.3 1 55 14 14 GLY H H 8.267 0.020 1 56 14 14 GLY C C 175.616 0.3 1 57 14 14 GLY CA C 46.465 0.3 1 58 14 14 GLY N N 108.199 0.3 1 59 15 15 VAL H H 8.284 0.020 1 60 15 15 VAL C C 177.296 0.3 1 61 15 15 VAL CA C 66.023 0.3 1 62 15 15 VAL CB C 30.556 0.3 1 63 15 15 VAL N N 122.726 0.3 1 64 16 16 VAL H H 8.088 0.020 1 65 16 16 VAL C C 178.324 0.3 1 66 16 16 VAL CA C 66.183 0.3 1 67 16 16 VAL CB C 30.662 0.3 1 68 16 16 VAL N N 120.445 0.3 1 69 17 17 ALA H H 7.976 0.020 1 70 17 17 ALA C C 180.478 0.3 1 71 17 17 ALA CA C 54.267 0.3 1 72 17 17 ALA CB C 17.302 0.3 1 73 17 17 ALA N N 121.792 0.3 1 74 18 18 ALA H H 8.066 0.020 1 75 18 18 ALA C C 179.875 0.3 1 76 18 18 ALA CA C 54.133 0.3 1 77 18 18 ALA CB C 17.408 0.3 1 78 18 18 ALA N N 121.445 0.3 1 79 19 19 ALA H H 8.463 0.020 1 80 19 19 ALA C C 179.468 0.3 1 81 19 19 ALA CA C 54.427 0.3 1 82 19 19 ALA CB C 17.302 0.3 1 83 19 19 ALA N N 122.606 0.3 1 84 20 20 GLU H H 8.211 0.020 1 85 20 20 GLU C C 178.834 0.3 1 86 20 20 GLU CA C 58.595 0.3 1 87 20 20 GLU CB C 28.533 0.3 1 88 20 20 GLU N N 118.964 0.3 1 89 21 21 LYS H H 7.932 0.020 1 90 21 21 LYS C C 178.805 0.3 1 91 21 21 LYS CA C 58.168 0.3 1 92 21 21 LYS CB C 31.407 0.3 1 93 21 21 LYS N N 119.444 0.3 1 94 22 22 THR H H 7.949 0.020 1 95 22 22 THR C C 175.758 0.3 1 96 22 22 THR CA C 64.634 0.3 1 97 22 22 THR CB C 68.242 0.3 1 98 22 22 THR N N 114.882 0.3 1 99 23 23 LYS H H 8.055 0.020 1 100 23 23 LYS C C 177.899 0.3 1 101 23 23 LYS CA C 58.141 0.3 1 102 23 23 LYS CB C 31.354 0.3 1 103 23 23 LYS N N 122.166 0.3 1 104 24 24 GLN H H 8.077 0.020 1 105 24 24 GLN C C 177.298 0.3 1 106 24 24 GLN CA C 56.858 0.3 1 107 24 24 GLN CB C 27.735 0.3 1 108 24 24 GLN N N 119.364 0.3 1 109 25 25 GLY H H 8.194 0.020 1 110 25 25 GLY C C 175.096 0.3 1 111 25 25 GLY CA C 45.647 0.3 1 112 25 25 GLY N N 108.825 0.3 1 113 26 26 VAL H H 8.139 0.020 1 114 26 26 VAL C C 176.953 0.3 1 115 26 26 VAL CA C 63.645 0.3 1 116 26 26 VAL CB C 31.035 0.3 1 117 26 26 VAL N N 120.565 0.3 1 118 27 27 THR H H 8.150 0.020 1 119 27 27 THR CA C 63.663 0.3 1 120 27 27 THR CB C 68.681 0.3 1 121 27 27 THR N N 117.123 0.3 1 122 28 28 GLU H H 8.329 0.020 1 123 28 28 GLU C C 177.384 0.3 1 124 28 28 GLU CA C 57.366 0.3 1 125 28 28 GLU CB C 29.172 0.3 1 126 28 28 GLU N N 122.646 0.3 1 127 29 29 ALA H H 8.138 0.020 1 128 29 29 ALA C C 178.666 0.3 1 129 29 29 ALA CA C 53.225 0.3 1 130 29 29 ALA CB C 17.994 0.3 1 131 29 29 ALA N N 123.781 0.3 1 132 30 30 ALA H H 8.301 0.020 1 133 30 30 ALA CA C 53.332 0.3 1 134 30 30 ALA CB C 17.744 0.3 1 135 30 30 ALA N N 122.871 0.3 1 136 31 31 GLU H H 8.200 0.020 1 137 31 31 GLU C C 177.769 0.3 1 138 31 31 GLU CA C 57.526 0.3 1 139 31 31 GLU CB C 28.906 0.3 1 140 31 31 GLU N N 119.524 0.3 1 141 32 32 LYS H H 8.172 0.020 1 142 32 32 LYS C C 177.876 0.3 1 143 32 32 LYS CA C 56.992 0.3 1 144 32 32 LYS CB C 31.354 0.3 1 145 32 32 LYS N N 120.860 0.3 1 146 33 33 THR H H 8.100 0.020 1 147 33 33 THR C C 175.334 0.3 1 148 33 33 THR CA C 63.538 0.3 1 149 33 33 THR CB C 68.242 0.3 1 150 33 33 THR N N 116.043 0.3 1 151 34 34 LYS H H 8.183 0.020 1 152 34 34 LYS CA C 57.580 0.3 1 153 34 34 LYS N N 123.126 0.3 1 154 35 35 GLU H H 8.221 0.020 1 155 35 35 GLU CA C 57.019 0.3 1 156 35 35 GLU N N 120.118 0.3 1 157 36 36 GLY H H 8.284 0.020 1 158 36 36 GLY C C 174.422 0.3 1 159 36 36 GLY CA C 45.610 0.3 1 160 36 36 GLY N N 109.519 0.3 1 161 37 37 VAL H H 8.111 0.020 1 162 37 37 VAL C C 176.456 0.3 1 163 37 37 VAL CA C 63.324 0.3 1 164 37 37 VAL CB C 31.354 0.3 1 165 37 37 VAL N N 120.125 0.3 1 166 38 38 LEU H H 8.184 0.020 1 167 38 38 LEU C C 177.149 0.3 1 168 38 38 LEU CA C 55.496 0.3 1 169 38 38 LEU CB C 40.935 0.3 1 170 38 38 LEU N N 122.892 0.3 1 171 39 39 TYR H H 8.116 0.020 1 172 39 39 TYR C C 176.196 0.3 1 173 39 39 TYR CA C 58.675 0.3 1 174 39 39 TYR CB C 38.061 0.3 1 175 39 39 TYR N N 121.165 0.3 1 176 40 40 VAL H H 8.133 0.020 1 177 40 40 VAL C C 176.894 0.3 1 178 40 40 VAL CA C 62.924 0.3 1 179 40 40 VAL CB C 31.301 0.3 1 180 40 40 VAL N N 120.885 0.3 1 181 41 41 GLY H H 8.278 0.020 1 182 41 41 GLY C C 174.410 0.3 1 183 41 41 GLY CA C 45.503 0.3 1 184 41 41 GLY N N 111.198 0.3 1 185 42 42 SER H H 8.271 0.020 1 186 42 42 SER C C 175.605 0.3 1 187 42 42 SER CA C 59.584 0.3 1 188 42 42 SER CB C 63.238 0.3 1 189 42 42 SER N N 116.538 0.3 1 190 44 44 THR H H 8.150 0.020 1 191 44 44 THR C C 175.364 0.3 1 192 44 44 THR CA C 63.084 0.3 1 193 44 44 THR CB C 69.093 0.3 1 194 44 44 THR N N 114.762 0.3 1 195 45 45 ARG H H 8.464 0.020 1 196 45 45 ARG C C 177.384 0.3 1 197 45 45 ARG CA C 59.130 0.3 1 198 45 45 ARG CB C 29.118 0.3 1 199 45 45 ARG N N 122.280 0.3 1 200 46 46 GLU H H 8.390 0.020 1 201 46 46 GLU C C 178.677 0.3 1 202 46 46 GLU CA C 58.622 0.3 1 203 46 46 GLU CB C 28.693 0.3 1 204 46 46 GLU N N 118.284 0.3 1 205 47 47 GLY H H 8.172 0.020 1 206 47 47 GLY C C 176.575 0.3 1 207 47 47 GLY CA C 46.171 0.3 1 208 47 47 GLY N N 108.199 0.3 1 209 48 48 VAL H H 8.183 0.020 1 210 48 48 VAL C C 177.213 0.3 1 211 48 48 VAL CA C 65.863 0.3 1 212 48 48 VAL CB C 30.609 0.3 1 213 48 48 VAL N N 122.766 0.3 1 214 49 49 VAL H H 8.217 0.020 1 215 49 49 VAL C C 178.089 0.3 1 216 49 49 VAL CA C 66.451 0.3 1 217 49 49 VAL CB C 30.502 0.3 1 218 49 49 VAL N N 119.965 0.3 1 219 50 50 GLN H H 8.183 0.020 1 220 50 50 GLN C C 178.964 0.3 1 221 50 50 GLN CA C 57.847 0.3 1 222 50 50 GLN CB C 27.362 0.3 1 223 50 50 GLN N N 118.484 0.3 1 224 51 51 GLY H H 8.234 0.020 1 225 51 51 GLY C C 175.616 0.3 1 226 51 51 GLY CA C 46.572 0.3 1 227 51 51 GLY N N 109.439 0.3 1 228 52 52 VAL H H 8.483 0.020 1 229 52 52 VAL C C 177.272 0.3 1 230 52 52 VAL CA C 65.702 0.3 1 231 52 52 VAL CB C 30.491 0.3 1 232 52 52 VAL N N 121.800 0.3 1 233 53 53 ALA H H 8.183 0.020 1 234 53 53 ALA C C 180.159 0.3 1 235 53 53 ALA CA C 54.774 0.3 1 236 53 53 ALA CB C 17.142 0.3 1 237 53 53 ALA N N 122.166 0.3 1 238 54 54 SER H H 8.027 0.020 1 239 54 54 SER C C 176.799 0.3 1 240 54 54 SER CA C 60.706 0.3 1 241 54 54 SER CB C 62.812 0.3 1 242 54 54 SER N N 113.721 0.3 1 243 55 55 VAL H H 7.882 0.020 1 244 55 55 VAL C C 178.313 0.3 1 245 55 55 VAL CA C 64.821 0.3 1 246 55 55 VAL CB C 30.769 0.3 1 247 55 55 VAL N N 121.285 0.3 1 248 56 56 ALA H H 8.653 0.020 1 249 56 56 ALA C C 178.952 0.3 1 250 56 56 ALA CA C 54.801 0.3 1 251 56 56 ALA CB C 17.326 0.3 1 252 56 56 ALA N N 125.687 0.3 1 253 57 57 GLU H H 8.156 0.020 1 254 57 57 GLU C C 178.998 0.3 1 255 57 57 GLU CA C 58.996 0.3 1 256 57 57 GLU CB C 28.586 0.3 1 257 57 57 GLU N N 118.485 0.3 1 258 58 58 LYS H H 8.038 0.020 1 259 58 58 LYS C C 178.773 0.3 1 260 58 58 LYS CA C 58.168 0.3 1 261 58 58 LYS CB C 31.514 0.3 1 262 58 58 LYS N N 119.284 0.3 1 263 59 59 THR H H 8.073 0.020 1 264 59 59 THR CA C 65.435 0.3 1 265 59 59 THR CB C 67.922 0.3 1 266 59 59 THR N N 115.138 0.3 1 267 60 60 LYS H H 7.988 0.020 1 268 60 60 LYS C C 178.550 0.3 1 269 60 60 LYS CA C 59.397 0.3 1 270 60 60 LYS CB C 31.141 0.3 1 271 60 60 LYS N N 121.805 0.3 1 272 61 61 GLU H H 8.005 0.020 1 273 61 61 GLU C C 178.773 0.3 1 274 61 61 GLU CA C 58.435 0.3 1 275 61 61 GLU CB C 28.533 0.3 1 276 61 61 GLU N N 119.324 0.3 1 277 62 62 GLN H H 8.088 0.020 1 278 62 62 GLN C C 177.757 0.3 1 279 62 62 GLN CA C 57.099 0.3 1 280 62 62 GLN CB C 28.001 0.3 1 281 62 62 GLN N N 118.724 0.3 1 282 63 63 ALA H H 8.379 0.020 1 283 63 63 ALA C C 178.668 0.3 1 284 63 63 ALA CA C 54.000 0.3 1 285 63 63 ALA CB C 17.621 0.3 1 286 63 63 ALA N N 122.046 0.3 1 287 64 64 SER H H 8.038 0.020 1 288 64 64 SER C C 175.909 0.3 1 289 64 64 SER CA C 60.305 0.3 1 290 64 64 SER CB C 62.706 0.3 1 291 64 64 SER N N 113.361 0.3 1 292 66 66 LEU H H 8.077 0.020 1 293 66 66 LEU C C 177.899 0.3 1 294 66 66 LEU CA C 55.977 0.3 1 295 66 66 LEU CB C 41.148 0.3 1 296 66 66 LEU N N 120.965 0.3 1 297 67 67 GLY H H 8.379 0.020 1 298 67 67 GLY C C 174.930 0.3 1 299 67 67 GLY CA C 46.144 0.3 1 300 67 67 GLY N N 107.318 0.3 1 301 68 68 GLY H H 8.267 0.020 1 302 68 68 GLY C C 175.214 0.3 1 303 68 68 GLY CA C 45.984 0.3 1 304 68 68 GLY N N 108.599 0.3 1 305 69 69 ALA H H 8.072 0.020 1 306 69 69 ALA C C 179.286 0.3 1 307 69 69 ALA CA C 53.358 0.3 1 308 69 69 ALA CB C 17.940 0.3 1 309 69 69 ALA N N 124.287 0.3 1 310 70 70 VAL H H 8.032 0.020 1 311 70 70 VAL C C 176.421 0.3 1 312 70 70 VAL CA C 64.206 0.3 1 313 70 70 VAL CB C 30.909 0.3 1 314 70 70 VAL N N 118.124 0.3 1 315 71 71 PHE H H 8.139 0.020 1 316 71 71 PHE C C 176.999 0.3 1 317 71 71 PHE CA C 58.809 0.3 1 318 71 71 PHE CB C 38.171 0.3 1 319 71 71 PHE N N 119.364 0.3 1 320 72 72 SER H H 8.217 0.020 1 321 72 72 SER C C 176.113 0.3 1 322 72 72 SER CA C 59.744 0.3 1 323 72 72 SER CB C 62.866 0.3 1 324 72 72 SER N N 115.682 0.3 1 325 73 73 GLY H H 8.234 0.020 1 326 73 73 GLY C C 174.840 0.3 1 327 73 73 GLY CA C 45.690 0.3 1 328 73 73 GLY N N 110.920 0.3 1 329 74 74 ALA H H 8.295 0.020 1 330 74 74 ALA C C 178.624 0.3 1 331 74 74 ALA CA C 53.679 0.3 1 332 74 74 ALA CB C 17.781 0.3 1 333 74 74 ALA N N 124.007 0.3 1 334 75 75 GLY H H 8.368 0.020 1 335 75 75 GLY C C 175.268 0.3 1 336 75 75 GLY CA C 46.064 0.3 1 337 75 75 GLY N N 106.478 0.3 1 338 76 76 ASN H H 8.161 0.020 1 339 76 76 ASN C C 177.213 0.3 1 340 76 76 ASN CA C 54.427 0.3 1 341 76 76 ASN CB C 37.582 0.3 1 342 76 76 ASN N N 120.085 0.3 1 343 77 77 ILE H H 8.139 0.020 1 344 77 77 ILE C C 177.592 0.3 1 345 77 77 ILE CA C 63.324 0.3 1 346 77 77 ILE CB C 36.837 0.3 1 347 77 77 ILE N N 121.685 0.3 1 348 78 78 ALA H H 8.435 0.020 1 349 78 78 ALA C C 179.244 0.3 1 350 78 78 ALA CA C 54.267 0.3 1 351 78 78 ALA CB C 17.248 0.3 1 352 78 78 ALA N N 124.367 0.3 1 353 79 79 ALA H H 8.027 0.020 1 354 79 79 ALA C C 179.650 0.3 1 355 79 79 ALA CA C 53.572 0.3 1 356 79 79 ALA CB C 17.355 0.3 1 357 79 79 ALA N N 120.591 0.3 1 358 80 80 ALA H H 8.010 0.020 1 359 80 80 ALA C C 178.763 0.3 1 360 80 80 ALA CA C 53.519 0.3 1 361 80 80 ALA CB C 17.621 0.3 1 362 80 80 ALA N N 121.285 0.3 1 363 81 81 THR H H 7.781 0.020 1 364 81 81 THR C C 175.486 0.3 1 365 81 81 THR CA C 62.683 0.3 1 366 81 81 THR N N 107.959 0.3 1 367 82 82 GLY H H 7.848 0.020 1 368 82 82 GLY C C 174.576 0.3 1 369 82 82 GLY CA C 45.289 0.3 1 370 82 82 GLY N N 108.839 0.3 1 371 83 83 LEU H H 7.859 0.020 1 372 83 83 LEU C C 176.799 0.3 1 373 83 83 LEU CA C 55.736 0.3 1 374 83 83 LEU CB C 41.414 0.3 1 375 83 83 LEU N N 120.725 0.3 1 376 84 84 VAL H H 7.457 0.020 1 377 84 84 VAL C C 175.285 0.3 1 378 84 84 VAL CA C 60.866 0.3 1 379 84 84 VAL CB C 32.259 0.3 1 380 84 84 VAL N N 116.043 0.3 1 381 85 85 LYS H H 8.362 0.020 1 382 85 85 LYS C C 176.198 0.3 1 383 85 85 LYS CA C 55.549 0.3 1 384 85 85 LYS CB C 31.993 0.3 1 385 85 85 LYS N N 125.487 0.3 1 386 86 86 ARG H H 8.452 0.020 1 387 86 86 ARG C C 176.112 0.3 1 388 86 86 ARG CA C 55.309 0.3 1 389 86 86 ARG CB C 29.970 0.3 1 390 86 86 ARG N N 124.087 0.3 1 391 87 87 GLU H H 8.466 0.020 1 392 87 87 GLU C C 175.853 0.3 1 393 87 87 GLU CA C 55.717 0.3 1 394 87 87 GLU N N 123.362 0.3 1 395 88 88 GLU H H 8.345 0.020 1 396 88 88 GLU C C 175.699 0.3 1 397 88 88 GLU CA C 55.736 0.3 1 398 88 88 GLU CB C 29.544 0.3 1 399 88 88 GLU N N 123.326 0.3 1 400 89 89 PHE H H 8.373 0.020 1 401 89 89 PHE C C 173.872 0.3 1 402 89 89 PHE CA C 55.095 0.3 1 403 89 89 PHE CB C 38.275 0.3 1 404 89 89 PHE N N 122.809 0.3 1 405 91 91 THR H H 8.290 0.020 1 406 91 91 THR C C 174.315 0.3 1 407 91 91 THR CA C 61.508 0.3 1 408 91 91 THR CB C 69.306 0.3 1 409 91 91 THR N N 115.122 0.3 1 410 92 92 ASP H H 8.341 0.020 1 411 92 92 ASP C C 175.723 0.3 1 412 92 92 ASP CA C 53.786 0.3 1 413 92 92 ASP CB C 40.456 0.3 1 414 92 92 ASP N N 123.174 0.3 1 415 93 93 LEU H H 8.105 0.020 1 416 93 93 LEU C C 177.031 0.3 1 417 93 93 LEU CA C 54.534 0.3 1 418 93 93 LEU CB C 41.095 0.3 1 419 93 93 LEU N N 123.246 0.3 1 420 94 94 LYS H H 8.418 0.020 1 421 94 94 LYS C C 174.541 0.3 1 422 94 94 LYS CA C 53.679 0.3 1 423 94 94 LYS CB C 31.248 0.3 1 424 94 94 LYS N N 124.967 0.3 1 425 96 96 GLU H H 8.597 0.020 1 426 96 96 GLU C C 176.622 0.3 1 427 96 96 GLU CA C 56.297 0.3 1 428 96 96 GLU CB C 29.133 0.3 1 429 96 96 GLU N N 121.365 0.3 1 430 97 97 GLU H H 8.379 0.020 1 431 97 97 GLU C C 176.302 0.3 1 432 97 97 GLU CA C 55.897 0.3 1 433 97 97 GLU CB C 29.544 0.3 1 434 97 97 GLU N N 123.086 0.3 1 435 98 98 VAL H H 8.144 0.020 1 436 98 98 VAL C C 175.824 0.3 1 437 98 98 VAL CA C 61.588 0.3 1 438 98 98 VAL CB C 31.780 0.3 1 439 98 98 VAL N N 122.646 0.3 1 440 99 99 ALA H H 8.401 0.020 1 441 99 99 ALA C C 177.587 0.3 1 442 99 99 ALA CA C 51.969 0.3 1 443 99 99 ALA CB C 18.153 0.3 1 444 99 99 ALA N N 128.929 0.3 1 445 100 100 GLN H H 8.385 0.020 1 446 100 100 GLN C C 176.007 0.3 1 447 100 100 GLN CA C 55.175 0.3 1 448 100 100 GLN CB C 28.693 0.3 1 449 100 100 GLN N N 121.125 0.3 1 450 101 101 GLU H H 8.473 0.020 1 451 101 101 GLU C C 176.101 0.3 1 452 101 101 GLU CA C 55.953 0.3 1 453 101 101 GLU CB C 29.447 0.3 1 454 101 101 GLU N N 123.436 0.3 1 455 102 102 ALA H H 8.379 0.020 1 456 102 102 ALA C C 177.202 0.3 1 457 102 102 ALA CA C 51.755 0.3 1 458 102 102 ALA CB C 18.313 0.3 1 459 102 102 ALA N N 126.288 0.3 1 460 103 103 ALA H H 8.284 0.020 1 461 103 103 ALA C C 177.576 0.3 1 462 103 103 ALA CA C 51.702 0.3 1 463 103 103 ALA CB C 18.419 0.3 1 464 103 103 ALA N N 124.687 0.3 1 465 104 104 GLU H H 8.345 0.020 1 466 104 104 GLU C C 176.267 0.3 1 467 104 104 GLU CA C 55.710 0.3 1 468 104 104 GLU CB C 29.544 0.3 1 469 104 104 GLU N N 121.325 0.3 1 470 105 105 GLU H H 8.441 0.020 1 471 105 105 GLU C C 174.434 0.3 1 472 105 105 GLU CA C 53.813 0.3 1 473 105 105 GLU CB C 29.065 0.3 1 474 105 105 GLU N N 124.647 0.3 1 475 107 107 LEU H H 8.318 0.020 1 476 107 107 LEU C C 177.085 0.3 1 477 107 107 LEU CA C 54.587 0.3 1 478 107 107 LEU CB C 41.044 0.3 1 479 107 107 LEU N N 123.646 0.3 1 480 108 108 ILE H H 8.195 0.020 1 481 108 108 ILE C C 175.909 0.3 1 482 108 108 ILE CA C 60.118 0.3 1 483 108 108 ILE CB C 37.582 0.3 1 484 108 108 ILE N N 124.167 0.3 1 485 109 109 GLU H H 8.424 0.020 1 486 109 109 GLU C C 174.252 0.3 1 487 109 109 GLU CA C 53.786 0.3 1 488 109 109 GLU CB C 28.906 0.3 1 489 109 109 GLU N N 127.728 0.3 1 490 111 111 LEU H H 8.290 0.020 1 491 111 111 LEU C C 177.284 0.3 1 492 111 111 LEU CA C 54.587 0.3 1 493 111 111 LEU CB C 41.095 0.3 1 494 111 111 LEU N N 123.126 0.3 1 495 112 112 MET H H 8.373 0.020 1 496 112 112 MET C C 175.806 0.3 1 497 112 112 MET CA C 54.561 0.3 1 498 112 112 MET CB C 32.153 0.3 1 499 112 112 MET N N 122.886 0.3 1 500 113 113 GLU H H 8.413 0.020 1 501 113 113 GLU C C 174.498 0.3 1 502 113 113 GLU CA C 53.893 0.3 1 503 113 113 GLU CB C 28.693 0.3 1 504 113 113 GLU N N 124.607 0.3 1 505 115 115 GLU H H 8.536 0.020 1 506 115 115 GLU C C 177.060 0.3 1 507 115 115 GLU CA C 56.191 0.3 1 508 115 115 GLU CB C 29.438 0.3 1 509 115 115 GLU N N 122.126 0.3 1 510 116 116 GLY H H 8.373 0.020 1 511 116 116 GLY C C 173.846 0.3 1 512 116 116 GLY CA C 44.648 0.3 1 513 116 116 GLY N N 110.600 0.3 1 514 117 117 GLU H H 8.278 0.020 1 515 117 117 GLU C C 176.302 0.3 1 516 117 117 GLU CA C 55.843 0.3 1 517 117 117 GLU CB C 29.544 0.3 1 518 117 117 GLU N N 121.245 0.3 1 519 118 118 SER H H 8.329 0.020 1 520 118 118 SER C C 173.854 0.3 1 521 118 118 SER CA C 57.526 0.3 1 522 118 118 SER CB C 63.504 0.3 1 523 118 118 SER N N 117.563 0.3 1 524 119 119 TYR H H 8.287 0.020 1 525 119 119 TYR C C 175.333 0.3 1 526 119 119 TYR CA C 57.366 0.3 1 527 119 119 TYR CB C 38.274 0.3 1 528 119 119 TYR N N 123.478 0.3 1 529 120 120 GLU H H 8.111 0.020 1 530 120 120 GLU C C 175.407 0.3 1 531 120 120 GLU CA C 55.229 0.3 1 532 120 120 GLU CB C 30.023 0.3 1 533 120 120 GLU N N 123.606 0.3 1 534 121 121 ASP H H 8.373 0.020 1 535 121 121 ASP C C 173.739 0.3 1 536 121 121 ASP CA C 52.423 0.3 1 537 121 121 ASP CB C 39.764 0.3 1 538 121 121 ASP N N 123.966 0.3 1 539 124 124 GLN H H 8.480 0.020 1 540 124 124 GLN C C 176.007 0.3 1 541 124 124 GLN CA C 55.148 0.3 1 542 124 124 GLN CB C 28.746 0.3 1 543 124 124 GLN N N 121.645 0.3 1 544 125 125 GLU H H 8.474 0.020 1 545 125 125 GLU C C 176.101 0.3 1 546 125 125 GLU CA C 55.923 0.3 1 547 125 125 GLU CB C 29.385 0.3 1 548 125 125 GLU N N 123.406 0.3 1 549 126 126 GLU H H 8.435 0.020 1 550 126 126 GLU C C 175.912 0.3 1 551 126 126 GLU CA C 55.923 0.3 1 552 126 126 GLU CB C 29.544 0.3 1 553 126 126 GLU N N 122.886 0.3 1 554 127 127 TYR H H 8.318 0.020 1 555 127 127 TYR C C 175.285 0.3 1 556 127 127 TYR CA C 57.526 0.3 1 557 127 127 TYR CB C 38.008 0.3 1 558 127 127 TYR N N 122.966 0.3 1 559 128 128 GLN H H 8.111 0.020 1 560 128 128 GLN C C 174.840 0.3 1 561 128 128 GLN CA C 54.641 0.3 1 562 128 128 GLN CB C 29.118 0.3 1 563 128 128 GLN N N 124.167 0.3 1 564 129 129 GLU H H 8.301 0.020 1 565 129 129 GLU C C 175.806 0.3 1 566 129 129 GLU CA C 55.897 0.3 1 567 129 129 GLU CB C 29.225 0.3 1 568 129 129 GLU N N 123.406 0.3 1 569 130 130 TYR H H 8.211 0.020 1 570 130 130 TYR C C 175.022 0.3 1 571 130 130 TYR CA C 57.126 0.3 1 572 130 130 TYR CB C 38.487 0.3 1 573 130 130 TYR N N 122.406 0.3 1 574 131 131 GLU H H 8.267 0.020 1 575 131 131 GLU C C 173.793 0.3 1 576 131 131 GLU CA C 53.251 0.3 1 577 131 131 GLU CB C 29.118 0.3 1 578 131 131 GLU N N 126.007 0.3 1 579 133 133 GLU H H 8.463 0.020 1 580 133 133 GLU C C 175.404 0.3 1 581 133 133 GLU CA C 56.137 0.3 1 582 133 133 GLU CB C 29.118 0.3 1 583 133 133 GLU N N 122.046 0.3 1 584 134 134 ALA H H 7.932 0.020 1 585 134 134 ALA C C 176.077 0.3 1 586 134 134 ALA CA C 53.358 0.3 1 587 134 134 ALA CB C 19.271 0.3 1 588 134 134 ALA N N 131.290 0.3 1 stop_ save_