data_7244 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C', 13CA and 13CB Chemical Shift Assignments of intrinsically disordered gamma-synuclein ; _BMRB_accession_number 7244 _BMRB_flat_file_name bmr7244.str _Entry_type original _Submission_date 2006-07-25 _Accession_date 2006-07-25 _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 Marsh Joseph A. . 2 Singh Vinay K. . 3 Zongchao Jia . . 4 Forman-Kay Julie D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 125 "13C chemical shifts" 364 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB 'complete entry citation' 2006-11-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Sensitivity of secondary structure propensities to sequence differences between a- and g-synuclein: Implications for fibrillation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17088319 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marsh Joseph A. . 2 Singh Vinay K. . 3 Zongchao Jia . . 4 Forman-Kay Julie D. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 15 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2795 _Page_last 2804 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'gamma-synuclein monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'gamma-synuclein monomer' $gamma-synuclein_polypeptide stop_ _System_molecular_weight . _System_physical_state unfolded _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_gamma-synuclein_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common gamma-synuclein _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; MDVFKKGFSIAKEGVVGAVE KTKQGVTEAAEKTKEGVMYV GAKTKENVVQSVTSVAEKTK EQANAVSEAVVSSVNTVATK TVEEAENIAVTSGVVRKEDL RPSAPQQEGEASKEKEEVAE EAQSGGD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 VAL 4 PHE 5 LYS 6 LYS 7 GLY 8 PHE 9 SER 10 ILE 11 ALA 12 LYS 13 GLU 14 GLY 15 VAL 16 VAL 17 GLY 18 ALA 19 VAL 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 MET 39 TYR 40 VAL 41 GLY 42 ALA 43 LYS 44 THR 45 LYS 46 GLU 47 ASN 48 VAL 49 VAL 50 GLN 51 SER 52 VAL 53 THR 54 SER 55 VAL 56 ALA 57 GLU 58 LYS 59 THR 60 LYS 61 GLU 62 GLN 63 ALA 64 ASN 65 ALA 66 VAL 67 SER 68 GLU 69 ALA 70 VAL 71 VAL 72 SER 73 SER 74 VAL 75 ASN 76 THR 77 VAL 78 ALA 79 THR 80 LYS 81 THR 82 VAL 83 GLU 84 GLU 85 ALA 86 GLU 87 ASN 88 ILE 89 ALA 90 VAL 91 THR 92 SER 93 GLY 94 VAL 95 VAL 96 ARG 97 LYS 98 GLU 99 ASP 100 LEU 101 ARG 102 PRO 103 SER 104 ALA 105 PRO 106 GLN 107 GLN 108 GLU 109 GLY 110 GLU 111 ALA 112 SER 113 LYS 114 GLU 115 LYS 116 GLU 117 GLU 118 VAL 119 ALA 120 GLU 121 GLU 122 ALA 123 GLN 124 SER 125 GLY 126 GLY 127 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 DBJ BAD97087 "synuclein, gamma (breast cancer-specific protein 1) variant [Homo sapiens]" 100.00 127 100.00 100.00 9.21e-78 DBJ BAG35077 "unnamed protein product [Homo sapiens]" 100.00 127 100.00 100.00 9.21e-78 DBJ BAG73792 "synuclein, gamma [synthetic construct]" 100.00 127 100.00 100.00 9.21e-78 EMBL CAG46587 "SNCG [Homo sapiens]" 100.00 127 100.00 100.00 9.21e-78 EMBL CAG46589 "SNCG [Homo sapiens]" 100.00 127 100.00 100.00 9.21e-78 GB AAB64109 "BCSG1 protein [Homo sapiens]" 100.00 127 98.43 100.00 1.70e-76 GB AAC27738 "gamma-synuclein [Homo sapiens]" 100.00 127 99.21 99.21 1.55e-76 GB AAC36550 "persyn [Homo sapiens]" 100.00 127 99.21 99.21 1.55e-76 GB AAC36586 "persyn [Homo sapiens]" 100.00 127 99.21 99.21 1.55e-76 GB AAH14098 "Synuclein, gamma (breast cancer-specific protein 1) [Homo sapiens]" 100.00 127 100.00 100.00 9.21e-78 REF NP_003078 "gamma-synuclein [Homo sapiens]" 100.00 127 100.00 100.00 9.21e-78 REF XP_002820773 "PREDICTED: gamma-synuclein [Pongo abelii]" 100.00 127 97.64 100.00 6.93e-76 REF XP_003828245 "PREDICTED: gamma-synuclein isoform X5 [Pan paniscus]" 100.00 127 99.21 100.00 5.16e-77 REF XP_003951754 "PREDICTED: gamma-synuclein isoform X2 [Pan troglodytes]" 100.00 127 99.21 100.00 5.16e-77 REF XP_004049763 "PREDICTED: gamma-synuclein isoform 1 [Gorilla gorilla gorilla]" 100.00 127 97.64 99.21 9.00e-76 SP O76070 "RecName: Full=Gamma-synuclein; AltName: Full=Breast cancer-specific gene 1 protein; AltName: Full=Persyn; AltName: Full=Synoret" 100.00 127 100.00 100.00 9.21e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $gamma-synuclein_polypeptide 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 $gamma-synuclein_polypeptide 'recombinant technology' 'E. coli' Escherichia coli BL21 . 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 $gamma-synuclein_polypeptide 0.35 mM '[U-13C; U-15N]' NaCl 137 mM . KCl 2.7 mM . Na2HPO4 10 mM . K2HPO4 2.4 mM . D20 10 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.05 pH temperature 278 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'gamma-synuclein 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 1 1 MET H H 8.80 0.05 1 2 1 1 MET C C 176.28 0.05 1 3 1 1 MET CA C 55.44 0.05 1 4 1 1 MET CB C 32.21 0.05 1 5 1 1 MET N N 121.75 0.05 1 6 2 2 ASP H H 8.57 0.05 1 7 2 2 ASP C C 176.39 0.05 1 8 2 2 ASP CA C 54.79 0.05 1 9 2 2 ASP CB C 41.03 0.05 1 10 2 2 ASP N N 124.32 0.05 1 11 3 3 VAL H H 8.08 0.05 1 12 3 3 VAL C C 176.10 0.05 1 13 3 3 VAL CA C 62.66 0.05 1 14 3 3 VAL CB C 32.56 0.05 1 15 3 3 VAL N N 119.71 0.05 1 16 4 4 PHE H H 8.37 0.05 1 17 4 4 PHE C C 175.81 0.05 1 18 4 4 PHE CA C 57.95 0.05 1 19 4 4 PHE CB C 39.42 0.05 1 20 4 4 PHE N N 123.29 0.05 1 21 5 5 LYS H H 8.24 0.05 1 22 5 5 LYS C C 176.19 0.05 1 23 5 5 LYS CA C 56.20 0.05 1 24 5 5 LYS CB C 33.16 0.05 1 25 5 5 LYS N N 123.59 0.05 1 26 6 6 LYS H H 8.49 0.05 1 27 6 6 LYS C C 177.23 0.05 1 28 6 6 LYS CA C 56.99 0.05 1 29 6 6 LYS CB C 32.92 0.05 1 30 6 6 LYS N N 123.42 0.05 1 31 7 7 GLY H H 8.62 0.05 1 32 7 7 GLY C C 173.80 0.05 1 33 7 7 GLY CA C 45.10 0.05 1 34 7 7 GLY N N 110.71 0.05 1 35 8 8 PHE H H 8.23 0.05 1 36 8 8 PHE C C 175.71 0.05 1 37 8 8 PHE CA C 57.91 0.05 1 38 8 8 PHE CB C 40.03 0.05 1 39 8 8 PHE N N 120.29 0.05 1 40 9 9 SER H H 8.37 0.05 1 41 9 9 SER C C 173.99 0.05 1 42 9 9 SER CA C 57.94 0.05 1 43 9 9 SER CB C 64.05 0.05 1 44 9 9 SER N N 118.23 0.05 1 45 10 10 ILE H H 8.35 0.05 1 46 10 10 ILE C C 176.04 0.05 1 47 10 10 ILE CA C 61.17 0.05 1 48 10 10 ILE CB C 38.88 0.05 1 49 10 10 ILE N N 123.06 0.05 1 50 11 11 ALA H H 8.52 0.05 1 51 11 11 ALA C C 177.73 0.05 1 52 11 11 ALA CA C 52.54 0.05 1 53 11 11 ALA CB C 19.20 0.05 1 54 11 11 ALA N N 128.65 0.05 1 55 12 12 LYS H H 8.51 0.05 1 56 12 12 LYS C C 176.69 0.05 1 57 12 12 LYS CA C 56.35 0.05 1 58 12 12 LYS CB C 33.13 0.05 1 59 12 12 LYS N N 121.68 0.05 1 60 13 13 GLU H H 8.64 0.05 1 61 13 13 GLU C C 177.03 0.05 1 62 13 13 GLU CA C 56.72 0.05 1 63 13 13 GLU CB C 30.27 0.05 1 64 13 13 GLU N N 122.45 0.05 1 65 14 14 GLY H H 8.62 0.05 1 66 14 14 GLY C C 173.91 0.05 1 67 14 14 GLY CA C 45.21 0.05 1 68 14 14 GLY N N 110.50 0.05 1 69 15 15 VAL H H 8.18 0.05 1 70 15 15 VAL C C 176.55 0.05 1 71 15 15 VAL CA C 62.39 0.05 1 72 15 15 VAL CB C 32.79 0.05 1 73 15 15 VAL N N 120.37 0.05 1 74 16 16 VAL H H 8.56 0.05 1 75 16 16 VAL C C 176.84 0.05 1 76 16 16 VAL CA C 62.84 0.05 1 77 16 16 VAL CB C 32.64 0.05 1 78 16 16 VAL N N 126.05 0.05 1 79 17 17 GLY H H 8.74 0.05 1 80 17 17 GLY C C 173.72 0.05 1 81 17 17 GLY CA C 45.08 0.05 1 82 17 17 GLY N N 113.87 0.05 1 83 18 18 ALA H H 8.31 0.05 1 84 18 18 ALA C C 178.05 0.05 1 85 18 18 ALA CA C 52.57 0.05 1 86 18 18 ALA CB C 19.41 0.05 1 87 18 18 ALA N N 124.16 0.05 1 88 19 19 VAL H H 8.39 0.05 1 89 19 19 VAL C C 176.53 0.05 1 90 19 19 VAL CA C 62.51 0.05 1 91 19 19 VAL CB C 32.86 0.05 1 92 19 19 VAL N N 120.36 0.05 1 93 20 20 GLU H H 8.72 0.05 1 94 20 20 GLU C C 176.70 0.05 1 95 20 20 GLU CA C 56.68 0.05 1 96 20 20 GLU CB C 30.29 0.05 1 97 20 20 GLU N N 125.64 0.05 1 98 21 21 LYS H H 8.65 0.05 1 99 21 21 LYS C C 177.10 0.05 1 100 21 21 LYS CA C 56.66 0.05 1 101 21 21 LYS CB C 33.06 0.05 1 102 21 21 LYS N N 123.59 0.05 1 103 22 22 THR H H 8.35 0.05 1 104 22 22 THR C C 176.24 0.05 1 105 22 22 THR CA C 62.43 0.05 1 106 22 22 THR CB C 69.92 0.05 1 107 22 22 THR N N 115.99 0.05 1 108 23 23 LYS H H 8.57 0.05 1 109 23 23 LYS C C 176.81 0.05 1 110 23 23 LYS CA C 56.37 0.05 1 111 23 23 LYS CB C 33.14 0.05 1 112 23 23 LYS N N 124.34 0.05 1 113 24 24 GLN H H 8.60 0.05 1 114 24 24 GLN C C 176.61 0.05 1 115 24 24 GLN CA C 56.20 0.05 1 116 24 24 GLN CB C 29.51 0.05 1 117 24 24 GLN N N 122.45 0.05 1 118 25 25 GLY H H 8.67 0.05 1 119 25 25 GLY C C 174.22 0.05 1 120 25 25 GLY CA C 45.34 0.05 1 121 25 25 GLY N N 110.93 0.05 1 122 26 26 VAL H H 8.24 0.05 1 123 26 26 VAL C C 176.88 0.05 1 124 26 26 VAL CA C 62.65 0.05 1 125 26 26 VAL CB C 32.83 0.05 1 126 26 26 VAL N N 119.97 0.05 1 127 27 27 THR H H 8.50 0.05 1 128 27 27 THR C C 174.69 0.05 1 129 27 27 THR CA C 62.36 0.05 1 130 27 27 THR CB C 69.84 0.05 1 131 27 27 THR N N 119.10 0.05 1 132 28 28 GLU H H 8.67 0.05 1 133 28 28 GLU C C 176.43 0.05 1 134 28 28 GLU CA C 56.78 0.05 1 135 28 28 GLU CB C 30.33 0.05 1 136 28 28 GLU N N 124.38 0.05 1 137 29 29 ALA H H 8.54 0.05 1 138 29 29 ALA C C 177.86 0.05 1 139 29 29 ALA CA C 52.82 0.05 1 140 29 29 ALA CB C 19.08 0.05 1 141 29 29 ALA N N 125.47 0.05 1 142 30 30 ALA H H 8.43 0.05 1 143 30 30 ALA C C 178.25 0.05 1 144 30 30 ALA CA C 52.83 0.05 1 145 30 30 ALA CB C 19.17 0.05 1 146 30 30 ALA N N 123.56 0.05 1 147 31 31 GLU H H 8.50 0.05 1 148 31 31 GLU C C 176.87 0.05 1 149 31 31 GLU CA C 56.82 0.05 1 150 31 31 GLU CB C 30.23 0.05 1 151 31 31 GLU N N 120.27 0.05 1 152 32 32 LYS H H 8.48 0.05 1 153 32 32 LYS C C 177.15 0.05 1 154 32 32 LYS CA C 56.60 0.05 1 155 32 32 LYS CB C 33.06 0.05 1 156 32 32 LYS N N 122.62 0.05 1 157 33 33 THR H H 8.35 0.05 1 158 33 33 THR C C 174.82 0.05 1 159 33 33 THR CA C 62.29 0.05 1 160 33 33 THR CB C 69.92 0.05 1 161 33 33 THR N N 115.92 0.05 1 162 34 34 LYS H H 8.55 0.05 1 163 34 34 LYS C C 176.70 0.05 1 164 34 34 LYS CA C 56.70 0.05 1 165 34 34 LYS CB C 33.00 0.05 1 166 34 34 LYS N N 124.04 0.05 1 167 35 35 GLU H H 8.57 0.05 1 168 35 35 GLU C C 177.10 0.05 1 169 35 35 GLU CA C 56.95 0.05 1 170 35 35 GLU CB C 30.25 0.05 1 171 35 35 GLU N N 122.11 0.05 1 172 36 36 GLY H H 8.59 0.05 1 173 36 36 GLY C C 174.18 0.05 1 174 36 36 GLY CA C 45.36 0.05 1 175 36 36 GLY N N 110.19 0.05 1 176 37 37 VAL H H 8.10 0.05 1 177 37 37 VAL C C 174.70 0.05 1 178 37 37 VAL CA C 62.54 0.05 1 179 37 37 VAL CB C 32.72 0.05 1 180 37 37 VAL N N 119.76 0.05 1 181 38 38 MET H H 8.58 0.05 1 182 38 38 MET C C 175.71 0.05 1 183 38 38 MET CA C 55.33 0.05 1 184 38 38 MET CB C 32.77 0.05 1 185 38 38 MET N N 124.27 0.05 1 186 39 39 TYR H H 8.43 0.05 1 187 39 39 TYR C C 175.64 0.05 1 188 39 39 TYR CA C 58.05 0.05 1 189 39 39 TYR CB C 38.90 0.05 1 190 39 39 TYR N N 122.96 0.05 1 191 40 40 VAL H H 8.25 0.05 1 192 40 40 VAL C C 176.17 0.05 1 193 40 40 VAL CA C 62.32 0.05 1 194 40 40 VAL CB C 32.85 0.05 1 195 40 40 VAL N N 123.97 0.05 1 196 41 41 GLY H H 8.17 0.05 1 197 41 41 GLY C C 173.65 0.05 1 198 41 41 GLY CA C 45.06 0.05 1 199 41 41 GLY N N 112.60 0.05 1 200 42 42 ALA H H 8.35 0.05 1 201 42 42 ALA C C 178.06 0.05 1 202 42 42 ALA CA C 52.55 0.05 1 203 42 42 ALA CB C 19.46 0.05 1 204 42 42 ALA N N 123.89 0.05 1 205 43 43 LYS H H 8.58 0.05 1 206 43 43 LYS C C 177.02 0.05 1 207 43 43 LYS CA C 56.32 0.05 1 208 43 43 LYS CB C 33.04 0.05 1 209 43 43 LYS N N 121.30 0.05 1 210 44 44 THR H H 8.35 0.05 1 211 44 44 THR C C 174.56 0.05 1 212 44 44 THR CA C 61.92 0.05 1 213 44 44 THR CB C 69.98 0.05 1 214 44 44 THR N N 116.40 0.05 1 215 45 45 LYS H H 8.58 0.05 1 216 45 45 LYS C C 176.54 0.05 1 217 45 45 LYS CA C 56.54 0.05 1 218 45 45 LYS CB C 32.99 0.05 1 219 45 45 LYS N N 123.94 0.05 1 220 46 46 GLU H H 8.61 0.05 1 221 46 46 GLU C C 176.21 0.05 1 222 46 46 GLU CA C 56.61 0.05 1 223 46 46 GLU CB C 30.35 0.05 1 224 46 46 GLU N N 122.37 0.05 1 225 47 47 ASN H H 8.70 0.05 1 226 47 47 ASN C C 175.02 0.05 1 227 47 47 ASN CA C 53.33 0.05 1 228 47 47 ASN CB C 38.85 0.05 1 229 47 47 ASN N N 120.45 0.05 1 230 48 48 VAL H H 8.28 0.05 1 231 48 48 VAL C C 176.23 0.05 1 232 48 48 VAL CA C 62.48 0.05 1 233 48 48 VAL CB C 32.81 0.05 1 234 48 48 VAL N N 121.62 0.05 1 235 49 49 VAL H H 8.52 0.05 1 236 49 49 VAL C C 176.23 0.05 1 237 49 49 VAL CA C 62.47 0.05 1 238 49 49 VAL CB C 32.68 0.05 1 239 49 49 VAL N N 125.81 0.05 1 240 50 50 GLN H H 8.73 0.05 1 241 50 50 GLN C C 175.93 0.05 1 242 50 50 GLN CA C 55.68 0.05 1 243 50 50 GLN CB C 29.64 0.05 1 244 50 50 GLN N N 125.72 0.05 1 245 51 51 SER H H 8.65 0.05 1 246 51 51 SER C C 174.64 0.05 1 247 51 51 SER CA C 58.31 0.05 1 248 51 51 SER CB C 63.83 0.05 1 249 51 51 SER N N 118.63 0.05 1 250 52 52 VAL H H 8.52 0.05 1 251 52 52 VAL C C 176.63 0.05 1 252 52 52 VAL CA C 62.48 0.05 1 253 52 52 VAL CB C 32.82 0.05 1 254 52 52 VAL N N 122.41 0.05 1 255 53 53 THR H H 8.45 0.05 1 256 53 53 THR C C 174.58 0.05 1 257 53 53 THR CA C 62.07 0.05 1 258 53 53 THR CB C 69.81 0.05 1 259 53 53 THR N N 118.56 0.05 1 260 54 54 SER H H 8.54 0.05 1 261 54 54 SER C C 174.65 0.05 1 262 54 54 SER CA C 58.35 0.05 1 263 54 54 SER CB C 63.90 0.05 1 264 54 54 SER N N 119.43 0.05 1 265 55 55 VAL H H 8.42 0.05 1 266 55 55 VAL C C 176.36 0.05 1 267 55 55 VAL CA C 62.77 0.05 1 268 55 55 VAL CB C 32.68 0.05 1 269 55 55 VAL N N 122.58 0.05 1 270 56 56 ALA H H 8.52 0.05 1 271 56 56 ALA C C 178.19 0.05 1 272 56 56 ALA CA C 52.92 0.05 1 273 56 56 ALA CB C 19.08 0.05 1 274 56 56 ALA N N 127.70 0.05 1 275 57 57 GLU H H 8.50 0.05 1 276 57 57 GLU C C 176.99 0.05 1 277 57 57 GLU CA C 56.86 0.05 1 278 57 57 GLU CB C 30.31 0.05 1 279 57 57 GLU N N 120.82 0.05 1 280 58 58 LYS H H 8.55 0.05 1 281 58 58 LYS C C 177.31 0.05 1 282 58 58 LYS CA C 56.71 0.05 1 283 58 58 LYS CB C 33.01 0.05 1 284 58 58 LYS N N 123.01 0.05 1 285 59 59 THR H H 8.39 0.05 1 286 59 59 THR C C 175.00 0.05 1 287 59 59 THR CA C 62.45 0.05 1 288 59 59 THR CB C 69.88 0.05 1 289 59 59 THR N N 116.15 0.05 1 290 60 60 LYS H H 8.53 0.05 1 291 60 60 LYS C C 177.10 0.05 1 292 60 60 LYS CA C 57.12 0.05 1 293 60 60 LYS CB C 32.86 0.05 1 294 60 60 LYS N N 123.92 0.05 1 295 61 61 GLU H H 8.58 0.05 1 296 61 61 GLU C C 177.11 0.05 1 297 61 61 GLU CA C 57.25 0.05 1 298 61 61 GLU CB C 30.06 0.05 1 299 61 61 GLU N N 121.95 0.05 1 300 62 62 GLN H H 8.49 0.05 1 301 62 62 GLN C C 176.26 0.05 1 302 62 62 GLN CA C 56.17 0.05 1 303 62 62 GLN CB C 29.39 0.05 1 304 62 62 GLN N N 121.47 0.05 1 305 63 63 ALA H H 8.53 0.05 1 306 63 63 ALA C C 177.90 0.05 1 307 63 63 ALA CA C 53.02 0.05 1 308 63 63 ALA CB C 19.05 0.05 1 309 63 63 ALA N N 125.25 0.05 1 310 64 64 ASN H H 8.51 0.05 1 311 64 64 ASN C C 175.09 0.05 1 312 64 64 ASN CA C 53.31 0.05 1 313 64 64 ASN CB C 38.89 0.05 1 314 64 64 ASN N N 117.84 0.05 1 315 65 65 ALA H H 8.31 0.05 1 316 65 65 ALA C C 177.98 0.05 1 317 65 65 ALA CA C 52.83 0.05 1 318 65 65 ALA CB C 19.24 0.05 1 319 65 65 ALA N N 124.51 0.05 1 320 66 66 VAL H H 8.32 0.05 1 321 66 66 VAL C C 176.54 0.05 1 322 66 66 VAL CA C 62.49 0.05 1 323 66 66 VAL CB C 32.77 0.05 1 324 66 66 VAL N N 119.86 0.05 1 325 67 67 SER H H 8.54 0.05 1 326 67 67 SER C C 174.67 0.05 1 327 67 67 SER CA C 58.44 0.05 1 328 67 67 SER CB C 63.81 0.05 1 329 67 67 SER N N 119.92 0.05 1 330 68 68 GLU H H 8.62 0.05 1 331 68 68 GLU C C 176.20 0.05 1 332 68 68 GLU CA C 56.51 0.05 1 333 68 68 GLU CB C 30.36 0.05 1 334 68 68 GLU N N 123.52 0.05 1 335 69 69 ALA H H 8.44 0.05 1 336 69 69 ALA C C 177.77 0.05 1 337 69 69 ALA CA C 52.57 0.05 1 338 69 69 ALA CB C 19.07 0.05 1 339 69 69 ALA N N 125.49 0.05 1 340 70 70 VAL H H 8.36 0.05 1 341 70 70 VAL C C 176.53 0.05 1 342 70 70 VAL CA C 62.44 0.05 1 343 70 70 VAL CB C 32.88 0.05 1 344 70 70 VAL N N 121.05 0.05 1 345 71 71 VAL H H 8.52 0.05 1 346 71 71 VAL C C 176.28 0.05 1 347 71 71 VAL CA C 62.36 0.05 1 348 71 71 VAL CB C 32.80 0.05 1 349 71 71 VAL N N 125.72 0.05 1 350 72 72 SER H H 8.67 0.05 1 351 72 72 SER C C 174.66 0.05 1 352 72 72 SER CA C 58.27 0.05 1 353 72 72 SER CB C 63.87 0.05 1 354 72 72 SER N N 120.65 0.05 1 355 73 73 SER H H 8.63 0.05 1 356 73 73 SER C C 174.62 0.05 1 357 73 73 SER CA C 58.40 0.05 1 358 73 73 SER CB C 63.82 0.05 1 359 73 73 SER N N 118.96 0.05 1 360 74 74 VAL H H 8.31 0.05 1 361 74 74 VAL C C 176.00 0.05 1 362 74 74 VAL CA C 62.52 0.05 1 363 74 74 VAL CB C 32.72 0.05 1 364 74 74 VAL N N 121.57 0.05 1 365 75 75 ASN H H 8.66 0.05 1 366 75 75 ASN C C 175.39 0.05 1 367 75 75 ASN CA C 53.27 0.05 1 368 75 75 ASN CB C 38.96 0.05 1 369 75 75 ASN N N 122.58 0.05 1 370 76 76 THR H H 8.33 0.05 1 371 76 76 THR C C 174.54 0.05 1 372 76 76 THR CA C 62.07 0.05 1 373 76 76 THR CB C 69.86 0.05 1 374 76 76 THR N N 116.01 0.05 1 375 77 77 VAL H H 8.37 0.05 1 376 77 77 VAL C C 175.95 0.05 1 377 77 77 VAL CA C 62.42 0.05 1 378 77 77 VAL CB C 32.75 0.05 1 379 77 77 VAL N N 123.59 0.05 1 380 78 78 ALA H H 8.62 0.05 1 381 78 78 ALA C C 177.97 0.05 1 382 78 78 ALA CA C 52.54 0.05 1 383 78 78 ALA CB C 19.29 0.05 1 384 78 78 ALA N N 128.74 0.05 1 385 79 79 THR H H 8.36 0.05 1 386 79 79 THR C C 174.52 0.05 1 387 79 79 THR CA C 62.07 0.05 1 388 79 79 THR CB C 69.91 0.05 1 389 79 79 THR N N 115.17 0.05 1 390 80 80 LYS H H 8.57 0.05 1 391 80 80 LYS C C 176.79 0.05 1 392 80 80 LYS CA C 56.29 0.05 1 393 80 80 LYS CB C 33.38 0.05 1 394 80 80 LYS N N 124.84 0.05 1 395 81 81 THR H H 8.55 0.05 1 396 81 81 THR C C 174.72 0.05 1 397 81 81 THR CA C 62.11 0.05 1 398 81 81 THR CB C 69.98 0.05 1 399 81 81 THR N N 117.61 0.05 1 400 82 82 VAL H H 8.48 0.05 1 401 82 82 VAL C C 176.40 0.05 1 402 82 82 VAL CA C 62.87 0.05 1 403 82 82 VAL CB C 32.76 0.05 1 404 82 82 VAL N N 123.29 0.05 1 405 83 83 GLU H H 8.69 0.05 1 406 83 83 GLU C C 176.85 0.05 1 407 83 83 GLU CA C 56.92 0.05 1 408 83 83 GLU CB C 30.21 0.05 1 409 83 83 GLU N N 124.80 0.05 1 410 84 84 GLU H H 8.57 0.05 1 411 84 84 GLU C C 176.67 0.05 1 412 84 84 GLU CA C 56.81 0.05 1 413 84 84 GLU CB C 30.39 0.05 1 414 84 84 GLU N N 122.53 0.05 1 415 85 85 ALA H H 8.52 0.05 1 416 85 85 ALA C C 178.15 0.05 1 417 85 85 ALA CA C 52.94 0.05 1 418 85 85 ALA CB C 19.24 0.05 1 419 85 85 ALA N N 125.07 0.05 1 420 86 86 GLU H H 8.54 0.05 1 421 86 86 GLU C C 176.48 0.05 1 422 86 86 GLU CA C 56.91 0.05 1 423 86 86 GLU CB C 30.29 0.05 1 424 86 86 GLU N N 120.07 0.05 1 425 87 87 ASN H H 8.57 0.05 1 426 87 87 ASN C C 175.37 0.05 1 427 87 87 ASN CA C 53.41 0.05 1 428 87 87 ASN CB C 38.85 0.05 1 429 87 87 ASN N N 120.17 0.05 1 430 88 88 ILE H H 8.25 0.05 1 431 88 88 ILE C C 176.23 0.05 1 432 88 88 ILE CA C 61.48 0.05 1 433 88 88 ILE CB C 38.59 0.05 1 434 88 88 ILE N N 121.89 0.05 1 435 89 89 ALA H H 8.50 0.05 1 436 89 89 ALA C C 178.05 0.05 1 437 89 89 ALA CA C 52.78 0.05 1 438 89 89 ALA CB C 19.07 0.05 1 439 89 89 ALA N N 128.13 0.05 1 440 90 90 VAL H H 8.34 0.05 1 441 90 90 VAL C C 176.97 0.05 1 442 90 90 VAL CA C 62.67 0.05 1 443 90 90 VAL CB C 32.75 0.05 1 444 90 90 VAL N N 120.04 0.05 1 445 91 91 THR H H 8.42 0.05 1 446 91 91 THR C C 174.78 0.05 1 447 91 91 THR CA C 61.96 0.05 1 448 91 91 THR CB C 69.85 0.05 1 449 91 91 THR N N 117.86 0.05 1 450 92 92 SER H H 8.50 0.05 1 451 92 92 SER C C 175.02 0.05 1 452 92 92 SER CA C 58.68 0.05 1 453 92 92 SER CB C 63.87 0.05 1 454 92 92 SER N N 118.35 0.05 1 455 93 93 GLY H H 8.57 0.05 1 456 93 93 GLY C C 173.91 0.05 1 457 93 93 GLY CA C 45.26 0.05 1 458 93 93 GLY N N 111.20 0.05 1 459 94 94 VAL H H 8.12 0.05 1 460 94 94 VAL C C 176.24 0.05 1 461 94 94 VAL CA C 62.46 0.05 1 462 94 94 VAL CB C 32.80 0.05 1 463 94 94 VAL N N 120.27 0.05 1 464 95 95 VAL H H 8.50 0.05 1 465 95 95 VAL C C 176.03 0.05 1 466 95 95 VAL CA C 62.38 0.05 1 467 95 95 VAL CB C 32.79 0.05 1 468 95 95 VAL N N 126.32 0.05 1 469 96 96 ARG H H 8.77 0.05 1 470 96 96 ARG C C 176.42 0.05 1 471 96 96 ARG CA C 55.83 0.05 1 472 96 96 ARG CB C 30.96 0.05 1 473 96 96 ARG N N 127.10 0.05 1 474 97 97 LYS H H 8.75 0.05 1 475 97 97 LYS C C 177.08 0.05 1 476 97 97 LYS CA C 57.11 0.05 1 477 97 97 LYS CB C 32.91 0.05 1 478 97 97 LYS N N 124.87 0.05 1 479 98 98 GLU H H 8.94 0.05 1 480 98 98 GLU C C 176.19 0.05 1 481 98 98 GLU CA C 57.04 0.05 1 482 98 98 GLU CB C 30.11 0.05 1 483 98 98 GLU N N 121.86 0.05 1 484 99 99 ASP H H 8.44 0.05 1 485 99 99 ASP C C 176.11 0.05 1 486 99 99 ASP CA C 54.29 0.05 1 487 99 99 ASP CB C 41.11 0.05 1 488 99 99 ASP N N 121.61 0.05 1 489 100 100 LEU H H 8.26 0.05 1 490 100 100 LEU C C 177.31 0.05 1 491 100 100 LEU CA C 55.03 0.05 1 492 100 100 LEU CB C 42.19 0.05 1 493 100 100 LEU N N 122.99 0.05 1 494 101 101 ARG H H 8.50 0.05 1 495 101 101 ARG N N 123.52 0.05 1 496 102 102 PRO C C 177.07 0.05 1 497 102 102 PRO CA C 63.15 0.05 1 498 102 102 PRO CB C 32.23 0.05 1 499 103 103 SER H H 8.63 0.05 1 500 103 103 SER C C 173.95 0.05 1 501 103 103 SER CA C 58.31 0.05 1 502 103 103 SER CB C 63.89 0.05 1 503 103 103 SER N N 116.93 0.05 1 504 104 104 ALA H H 8.52 0.05 1 505 104 104 ALA N N 127.36 0.05 1 506 105 105 PRO C C 177.06 0.05 1 507 105 105 PRO CA C 63.14 0.05 1 508 105 105 PRO CB C 32.16 0.05 1 509 106 106 GLN H H 8.74 0.05 1 510 106 106 GLN C C 176.13 0.05 1 511 106 106 GLN CA C 55.88 0.05 1 512 106 106 GLN CB C 29.63 0.05 1 513 106 106 GLN N N 121.25 0.05 1 514 107 107 GLN H H 8.70 0.05 1 515 107 107 GLN C C 176.04 0.05 1 516 107 107 GLN CA C 55.78 0.05 1 517 107 107 GLN CB C 29.71 0.05 1 518 107 107 GLN N N 122.46 0.05 1 519 108 108 GLU H H 8.78 0.05 1 520 108 108 GLU C C 177.14 0.05 1 521 108 108 GLU CA C 56.91 0.05 1 522 108 108 GLU CB C 30.34 0.05 1 523 108 108 GLU N N 123.37 0.05 1 524 109 109 GLY H H 8.70 0.05 1 525 109 109 GLY C C 174.24 0.05 1 526 109 109 GLY CA C 45.21 0.05 1 527 109 109 GLY N N 110.77 0.05 1 528 110 110 GLU H H 8.42 0.05 1 529 110 110 GLU C C 176.63 0.05 1 530 110 110 GLU CA C 56.54 0.05 1 531 110 110 GLU CB C 30.55 0.05 1 532 110 110 GLU N N 120.98 0.05 1 533 111 111 ALA H H 8.61 0.05 1 534 111 111 ALA C C 178.09 0.05 1 535 111 111 ALA CA C 52.67 0.05 1 536 111 111 ALA CB C 19.13 0.05 1 537 111 111 ALA N N 125.57 0.05 1 538 112 112 SER H H 8.51 0.05 1 539 112 112 SER C C 174.86 0.05 1 540 112 112 SER CA C 58.53 0.05 1 541 112 112 SER CB C 63.72 0.05 1 542 112 112 SER N N 115.66 0.05 1 543 113 113 LYS H H 8.53 0.05 1 544 113 113 LYS C C 176.67 0.05 1 545 113 113 LYS CA C 56.52 0.05 1 546 113 113 LYS CB C 33.18 0.05 1 547 113 113 LYS N N 124.00 0.05 1 548 114 114 GLU H H 8.60 0.05 1 549 114 114 GLU C C 176.56 0.05 1 550 114 114 GLU CA C 56.71 0.05 1 551 114 114 GLU CB C 30.19 0.05 1 552 114 114 GLU N N 122.37 0.05 1 553 115 115 LYS H H 8.53 0.05 1 554 115 115 LYS C C 176.53 0.05 1 555 115 115 LYS CA C 56.35 0.05 1 556 115 115 LYS CB C 33.18 0.05 1 557 115 115 LYS N N 122.59 0.05 1 558 116 116 GLU H H 8.63 0.05 1 559 116 116 GLU C C 176.43 0.05 1 560 116 116 GLU CA C 56.47 0.05 1 561 116 116 GLU CB C 30.48 0.05 1 562 116 116 GLU N N 123.24 0.05 1 563 117 117 GLU H H 8.67 0.05 1 564 117 117 GLU C C 176.37 0.05 1 565 117 117 GLU CA C 56.34 0.05 1 566 117 117 GLU CB C 30.49 0.05 1 567 117 117 GLU N N 123.37 0.05 1 568 118 118 VAL H H 8.49 0.05 1 569 118 118 VAL C C 175.91 0.05 1 570 118 118 VAL CA C 62.08 0.05 1 571 118 118 VAL CB C 33.02 0.05 1 572 118 118 VAL N N 123.00 0.05 1 573 119 119 ALA H H 8.66 0.05 1 574 119 119 ALA C C 177.82 0.05 1 575 119 119 ALA CA C 52.47 0.05 1 576 119 119 ALA CB C 19.34 0.05 1 577 119 119 ALA N N 129.28 0.05 1 578 120 120 GLU H H 8.64 0.05 1 579 120 120 GLU C C 176.74 0.05 1 580 120 120 GLU CA C 56.65 0.05 1 581 120 120 GLU CB C 30.51 0.05 1 582 120 120 GLU N N 121.44 0.05 1 583 121 121 GLU H H 8.69 0.05 1 584 121 121 GLU C C 176.38 0.05 1 585 121 121 GLU CA C 56.53 0.05 1 586 121 121 GLU CB C 30.35 0.05 1 587 121 121 GLU N N 122.89 0.05 1 588 122 122 ALA H H 8.59 0.05 1 589 122 122 ALA C C 177.92 0.05 1 590 122 122 ALA CA C 52.58 0.05 1 591 122 122 ALA CB C 19.15 0.05 1 592 122 122 ALA N N 125.97 0.05 1 593 123 123 GLN H H 8.63 0.05 1 594 123 123 GLN C C 176.31 0.05 1 595 123 123 GLN CA C 55.71 0.05 1 596 123 123 GLN CB C 29.49 0.05 1 597 123 123 GLN N N 120.40 0.05 1 598 124 124 SER H H 8.66 0.05 1 599 124 124 SER C C 175.21 0.05 1 600 124 124 SER CA C 58.44 0.05 1 601 124 124 SER CB C 63.99 0.05 1 602 124 124 SER N N 117.88 0.05 1 603 125 125 GLY H H 8.72 0.05 1 604 125 125 GLY C C 174.60 0.05 1 605 125 125 GLY CA C 45.45 0.05 1 606 125 125 GLY N N 111.44 0.05 1 607 126 126 GLY H H 8.45 0.05 1 608 126 126 GLY C C 179.16 0.05 1 609 126 126 GLY CA C 45.09 0.05 1 610 126 126 GLY N N 109.54 0.05 1 611 127 127 ASP H H 8.19 0.05 1 612 127 127 ASP C C 175.30 0.05 1 613 127 127 ASP CB C 42.17 0.05 1 614 127 127 ASP N N 125.92 0.05 1 stop_ save_