data_6968 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Heteronuclear assignment of backbone and Cb of naturally unfolded alpha-synuclein ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bermel Wolfgang . . 2 Ivano Bertini . . 3 Isabella Felli C. . 4 Yong-Min Lee . . 5 Claudio Luchinat . . 6 Roberta Pierattelli . . stop_ _BMRB_accession_number 6968 _BMRB_flat_file_name bmr6968.str _Entry_type new _Submission_date 2006-02-03 _Accession_date 2006-02-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Heteronuclear assignment of backbone and Cb of naturally unfolded alpha-synuclein ; loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 397 "15N chemical shifts" 138 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Protonless NMR experiments for sequence-specific assignment of backbone nuclei in unfolded proteins ; _Citation_status published _Citation_type journal _PubMed_ID 16551093 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bermel Wolfgang . . 2 Bertini Ivano . . 3 Felli Isabella C. . 4 Lee Yong-Min . . 5 Luchinat Claudio . . 6 Pierattelli Roberta . . stop_ _Journal_abbreviation "J. Am. Chem. Soc." _Journal_volume 128 _Journal_issue 12 _Page_first 3918 _Page_last 3919 _Year 2006 _Details ? save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "naturally unfolded alpha-synuclein" _Abbreviation_common "naturally unfolded alpha-synuclein" loop_ _Mol_system_component_name _Mol_label "naturally unfolded alpha-synuclein" $naturally_unfolded_alpha-synuclein stop_ _System_physical_state denatured _System_oligomer_state protein _System_paramagnetic no _System_thiol_state "not present" _Details "naturally unfolded alpha-synuclein" save_ ######################## # Monomeric polymers # ######################## save_naturally_unfolded_alpha-synuclein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "naturally unfolded alpha-synuclein" _Name_variant "naturally unfolded alpha-synuclein" _Abbreviation_common "naturally unfolded alpha-synuclein" _Mol_thiol_state "not present" _Details "naturally unfolded alpha-synuclein" ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MDVFMKGLSKAKEGVVAAAE KTKQGVAEAAGKTKEGVLYV GSKTKEGVVHGVATVAEKTK EQVTNVGGAVVTGVTAVAQK 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 SER 10 LYS 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 ALA 28 GLU 29 ALA 30 ALA 31 GLY 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 LYS 46 GLU 47 GLY 48 VAL 49 VAL 50 HIS 51 GLY 52 VAL 53 ALA 54 THR 55 VAL 56 ALA 57 GLU 58 LYS 59 THR 60 LYS 61 GLU 62 GLN 63 VAL 64 THR 65 ASN 66 VAL 67 GLY 68 GLY 69 ALA 70 VAL 71 VAL 72 THR 73 GLY 74 VAL 75 THR 76 ALA 77 VAL 78 ALA 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 2008-09-24 _Sequence_homology_query_revised_last_date 2008-09-24 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 5744 alpha-synuclein 100.00 140 100.00 100.00 5.36e-71 PDB 1XQ8 "Human Micelle-Bound Alpha-Synuclein" 100.00 140 100.00 100.00 5.36e-71 DBJ BAF82858 "unnamed protein product [Homo sapiens]" 100.00 140 100.00 100.00 5.36e-71 EMBL CAG33339 "SNCA [Homo sapiens]" 100.00 140 100.00 100.00 5.36e-71 EMBL CAG46454 "SNCA [Homo sapiens]" 100.00 140 100.00 100.00 5.36e-71 GenBank AAA16117 "AD amyloid" 100.00 140 100.00 100.00 5.36e-71 GenBank AAC02114 "NACP/alpha-synuclein [Homo sapiens]" 100.00 140 98.57 98.57 1.06e-69 GenBank AAG30302 "SNCA isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 5.36e-71 GenBank AAH13293 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 100.00 100.00 5.36e-71 GenBank AAI08276 "Synuclein, alpha (non A4 component of amyloid precursor) [Homo sapiens]" 100.00 140 100.00 100.00 5.36e-71 REF NP_000336 "alpha-synuclein isoform NACP140 [Homo sapiens]" 100.00 140 100.00 100.00 5.36e-71 REF XP_001162256 "PREDICTED: hypothetical protein isoform 1 [Pan troglodytes]" 72.86 115 100.00 100.00 1.26e-46 REF XP_001162416 "PREDICTED: alpha-synuclein isoform 5 [Pan troglodytes]" 100.00 140 100.00 100.00 5.36e-71 REF XP_001162454 "PREDICTED: alpha-synuclein isoform 6 [Pan troglodytes]" 100.00 140 100.00 100.00 5.36e-71 REF XP_001162500 "PREDICTED: alpha-synuclein isoform 7 [Pan troglodytes]" 100.00 140 100.00 100.00 5.36e-71 SWISS-PROT P37840 "Alpha-synuclein (Non-A beta component of AD amyloid) (Non-A4 component of amyloid precursor) (NACP)" 100.00 140 100.00 100.00 5.36e-71 SWISS-PROT P61139 Alpha-synuclein 100.00 140 99.29 100.00 9.44e-71 SWISS-PROT P61140 Alpha-synuclein 100.00 140 100.00 100.00 5.36e-71 SWISS-PROT P61142 Alpha-synuclein 100.00 140 98.57 100.00 1.21e-70 SWISS-PROT P61143 Alpha-synuclein 100.00 140 98.57 100.00 1.21e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $naturally_unfolded_alpha-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 $naturally_unfolded_alpha-synuclein "obtained from a vendor" ? ? ? ? ? stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; Apo 13C-15N a-synuclein was purchased from Protera srl (Sesto Fiorentino, Italy) and used without further purification. The NMR sample contained 1.0 mM a-synuclein, 200 mM KCl, 10 mM 2-morpholinoethanesulfonic acid in 90% H2O/10% D2O at pH 6.8 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $naturally_unfolded_alpha-synuclein 1 mM "[U-13C; U-15N]" KCl 200 mM ? "2-morpholinoethanesulfonic acid" 10 mM ? H2O 90 % ? D2O 10 % ? stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Xwinnmr loop_ _Vendor _Address _Electronic_address Bruker ? ? stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details ; The 700 MHz NMR spectrometer was equipped with a prototype TXO probe optimized for 13C direct detection ; save_ ############################# # NMR applied experiments # ############################# save_COCON-IPAP _Saveframe_category NMR_applied_experiment _Experiment_name COCON-IPAP _Sample_label $sample_1 _Details ; The 700 MHz NMR spectrometer was equipped with a prototype TXO probe optimized for 13C direct detection ; save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details ; Apo 13C-15N a-synuclein was purchased from Protera srl (Sesto Fiorentino, Italy) and used without further purification. The NMR sample contained 1.0 mM a-synuclein, 200 mM KCl, 10 mM 2-morpholinoethanesulfonic acid in 90% H2O/10% D2O at pH 6.8 ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.05 pH temperature 288 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference 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 H 1 "methyl protons" ppm 0.0 internal direct . . . 1.0 DSS C 13 "methyl protons" ppm 0.0 . indirect . . . 0.251449530 DSS N 15 "methyl protons" ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details ; assignment obtained for 13C-15N a-synuclein at 288 K with the COCON-IPAP and CBCACON-IPAP experiments. Apo 13C-15N a-synuclein was purchased from Protera srl (Sesto Fiorentino, Italy) and used without further purification. The NMR sample contained 1.0 mM a-synuclein, 200 mM KCl, 10 mM 2-morpholinoethanesulfonic acid in 90% H2O/10% D2O at pH 6.8. ; loop_ _Experiment_label $COCON-IPAP stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name "naturally unfolded alpha-synuclein" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 ASP C C 175.560 0.1 1 2 2 ASP CA C 53.930 0.1 1 3 2 ASP CB C 41.200 0.1 1 4 3 VAL C C 175.610 0.1 1 5 3 VAL CA C 61.860 0.1 1 6 3 VAL CB C 32.300 0.1 1 7 3 VAL N N 120.260 0.1 1 8 4 PHE C C 175.540 0.1 1 9 4 PHE CA C 57.740 0.1 1 10 4 PHE CB C 39.000 0.1 1 11 4 PHE N N 123.430 0.1 1 12 5 MET C C 175.660 0.1 1 13 5 MET CA C 55.290 0.1 1 14 5 MET CB C 32.340 0.1 1 15 5 MET N N 122.200 0.1 1 16 6 LYS C C 176.870 0.1 1 17 6 LYS CA C 56.610 0.1 1 18 6 LYS CB C 32.400 0.1 1 19 6 LYS N N 122.460 0.1 1 20 7 GLY C C 173.900 0.1 1 21 7 GLY CA C 44.890 0.1 1 22 7 GLY N N 109.750 0.1 1 23 8 LEU C C 177.370 0.1 1 24 8 LEU CA C 54.790 0.1 1 25 8 LEU CB C 42.050 0.1 1 26 8 LEU N N 121.380 0.1 1 27 9 SER C C 174.300 0.1 1 28 9 SER CA C 57.890 0.1 1 29 9 SER CB C 63.420 0.1 1 30 9 SER N N 116.540 0.1 1 31 10 LYS C C 176.180 0.1 1 32 10 LYS CA C 55.800 0.1 1 33 10 LYS CB C 32.440 0.1 1 34 10 LYS N N 123.580 0.1 1 35 11 ALA C C 177.640 0.1 1 36 11 ALA CA C 52.340 0.1 1 37 11 ALA CB C 18.800 0.1 1 38 11 ALA N N 125.120 0.1 1 39 12 LYS C C 176.430 0.1 1 40 12 LYS CA C 56.290 0.1 1 41 12 LYS CB C 32.530 0.1 1 42 12 LYS N N 120.710 0.1 1 43 13 GLU C C 176.750 0.1 1 44 13 GLU CA C 56.610 0.1 1 45 13 GLU CB C 29.830 0.1 1 46 13 GLU N N 121.980 0.1 1 47 14 GLY C C 173.750 0.1 1 48 14 GLY CA C 44.890 0.1 1 49 14 GLY N N 110.010 0.1 1 50 15 VAL C C 176.210 0.1 1 51 15 VAL CA C 62.170 0.1 1 52 15 VAL CB C 32.380 0.1 1 53 15 VAL N N 119.980 0.1 1 54 16 VAL C C 175.730 0.1 1 55 16 VAL CA C 61.870 0.1 1 56 16 VAL CB C 32.360 0.1 1 57 16 VAL N N 125.080 0.1 1 58 17 ALA C C 177.400 0.1 1 59 17 ALA CA C 52.170 0.1 1 60 17 ALA CB C 18.750 0.1 1 61 17 ALA N N 128.330 0.1 1 62 18 ALA C C 177.630 0.1 1 63 18 ALA CA C 52.320 0.1 1 64 18 ALA CB C 18.720 0.1 1 65 18 ALA N N 123.540 0.1 1 66 19 ALA C C 177.920 0.1 1 67 19 ALA CA C 52.380 0.1 1 68 19 ALA CB C 18.750 0.1 1 69 19 ALA N N 122.920 0.1 1 70 20 GLU C C 176.650 0.1 1 71 20 GLU CA C 56.460 0.1 1 72 20 GLU CB C 29.850 0.1 1 73 20 GLU N N 119.900 0.1 1 74 21 LYS C C 176.870 0.1 1 75 21 LYS CA C 56.370 0.1 1 76 21 LYS CB C 32.540 0.1 1 77 21 LYS N N 122.090 0.1 1 78 22 THR C C 174.400 0.1 1 79 22 THR CA C 61.690 0.1 1 80 22 THR CB C 69.380 0.1 1 81 22 THR N N 115.120 0.1 1 82 23 LYS C C 176.430 0.1 1 83 23 LYS CA C 56.330 0.1 1 84 23 LYS CB C 32.540 0.1 1 85 23 LYS N N 123.610 0.1 1 86 24 GLN C C 176.320 0.1 1 87 24 GLN CA C 55.830 0.1 1 88 24 GLN CB C 29.040 0.1 1 89 24 GLN N N 121.540 0.1 1 90 25 GLY C C 173.980 0.1 1 91 25 GLY CA C 44.900 0.1 1 92 25 GLY N N 110.360 0.1 1 93 26 VAL C C 176.100 0.1 1 94 26 VAL CA C 62.160 0.1 1 95 26 VAL CB C 32.370 0.1 1 96 26 VAL N N 119.590 0.1 1 97 27 ALA C C 177.860 0.1 1 98 27 ALA CA C 52.400 0.1 1 99 27 ALA CB C 18.660 0.1 1 100 27 ALA N N 127.220 0.1 1 101 28 GLU C C 176.390 0.1 1 102 28 GLU CA C 56.550 0.1 1 103 28 GLU CB C 29.760 0.1 1 104 28 GLU N N 120.400 0.1 1 105 29 ALA C C 177.470 0.1 1 106 29 ALA CA C 52.210 0.1 1 107 29 ALA CB C 18.750 0.1 1 108 29 ALA N N 124.760 0.1 1 109 30 ALA C C 178.180 0.1 1 110 30 ALA CA C 52.480 0.1 1 111 30 ALA CB C 18.750 0.1 1 112 30 ALA N N 122.880 0.1 1 113 31 GLY C C 173.920 0.1 1 114 31 GLY CA C 44.910 0.1 1 115 31 GLY N N 107.620 0.1 1 116 32 LYS C C 176.730 0.1 1 117 32 LYS CA C 55.890 0.1 1 118 32 LYS CB C 32.760 0.1 1 119 32 LYS N N 120.540 0.1 1 120 33 THR C C 174.380 0.1 1 121 33 THR CA C 61.540 0.1 1 122 33 THR CB C 69.460 0.1 1 123 33 THR N N 115.440 0.1 1 124 34 LYS C C 176.240 0.1 1 125 34 LYS CA C 56.300 0.1 1 126 34 LYS CB C 32.540 0.1 1 127 34 LYS N N 123.680 0.1 1 128 35 GLU C C 176.690 0.1 1 129 35 GLU CA C 56.620 0.1 1 130 35 GLU CB C 29.840 0.1 1 131 35 GLU N N 121.900 0.1 1 132 36 GLY C C 173.720 0.1 1 133 36 GLY CA C 44.900 0.1 1 134 36 GLY N N 109.780 0.1 1 135 37 VAL C C 175.650 0.1 1 136 37 VAL CA C 61.860 0.1 1 137 37 VAL CB C 32.380 0.1 1 138 37 VAL N N 119.400 0.1 1 139 38 LEU C C 176.370 0.1 1 140 38 LEU CA C 54.560 0.1 1 141 38 LEU CB C 42.010 0.1 1 142 38 LEU N N 125.650 0.1 1 143 39 TYR C C 175.300 0.1 1 144 39 TYR CA C 57.410 0.1 1 145 39 TYR CB C 38.470 0.1 1 146 39 TYR N N 122.270 0.1 1 147 40 VAL C C 175.870 0.1 1 148 40 VAL CA C 61.780 0.1 1 149 40 VAL CB C 32.440 0.1 1 150 40 VAL N N 123.160 0.1 1 151 41 GLY C C 173.670 0.1 1 152 41 GLY CA C 44.740 0.1 1 153 41 GLY N N 112.000 0.1 1 154 42 SER C C 174.480 0.1 1 155 42 SER CA C 57.890 0.1 1 156 42 SER CB C 63.420 0.1 1 157 42 SER N N 115.430 0.1 1 158 43 LYS C C 176.590 0.1 1 159 43 LYS CA C 56.130 0.1 1 160 43 LYS CB C 32.680 0.1 1 161 43 LYS N N 123.270 0.1 1 162 44 THR C C 174.290 0.1 1 163 44 THR CA C 61.380 0.1 1 164 44 THR CB C 69.450 0.1 1 165 44 THR N N 115.300 0.1 1 166 45 LYS C C 176.240 0.1 1 167 45 LYS CA C 56.260 0.1 1 168 45 LYS CB C 32.530 0.1 1 169 45 LYS N N 123.670 0.1 1 170 46 GLU C C 176.670 0.1 1 171 46 GLU CA C 56.360 0.1 1 172 46 GLU CB C 30.000 0.1 1 173 46 GLU N N 121.820 0.1 1 174 47 GLY C C 173.580 0.1 1 175 47 GLY CA C 44.910 0.1 1 176 47 GLY N N 109.810 0.1 1 177 48 VAL C C 175.760 0.1 1 178 48 VAL CA C 61.850 0.1 1 179 48 VAL CB C 32.380 0.1 1 180 48 VAL N N 119.740 0.1 1 181 49 VAL C C 175.600 0.1 1 182 49 VAL CA C 61.840 0.1 1 183 49 VAL CB C 32.380 0.1 1 184 49 VAL N N 124.870 0.1 1 185 50 HIS C C 175.140 0.1 1 186 50 HIS CA C 55.370 0.1 1 187 50 HIS CB C 29.990 0.1 1 188 50 HIS N N 124.080 0.1 1 189 51 GLY C C 173.490 0.1 1 190 51 GLY CA C 44.740 0.1 1 191 51 GLY N N 110.420 0.1 1 192 52 VAL C C 175.660 0.1 1 193 52 VAL CA C 61.760 0.1 1 194 52 VAL CB C 32.480 0.1 1 195 52 VAL N N 119.400 0.1 1 196 53 ALA C C 177.550 0.1 1 197 53 ALA CA C 52.130 0.1 1 198 53 ALA CB C 18.900 0.1 1 199 53 ALA N N 128.050 0.1 1 200 54 THR C C 174.270 0.1 1 201 54 THR CA C 61.380 0.1 1 202 54 THR CB C 69.470 0.1 1 203 54 THR N N 114.710 0.1 1 204 55 VAL C C 175.600 0.1 1 205 55 VAL CA C 61.840 0.1 1 206 55 VAL CB C 32.520 0.1 1 207 55 VAL N N 122.910 0.1 1 208 56 ALA C C 177.510 0.1 1 209 56 ALA CA C 52.190 0.1 1 210 56 ALA CB C 18.810 0.1 1 211 56 ALA N N 127.930 0.1 1 212 57 GLU C C 176.430 0.1 1 213 57 GLU CA C 56.320 0.1 1 214 57 GLU CB C 29.980 0.1 1 215 57 GLU N N 120.730 0.1 1 216 58 LYS C C 176.700 0.1 1 217 58 LYS CA C 55.990 0.1 1 218 58 LYS CB C 32.690 0.1 1 219 58 LYS N N 122.660 0.1 1 220 59 THR C C 174.340 0.1 1 221 59 THR CA C 61.580 0.1 1 222 59 THR CB C 69.420 0.1 1 223 59 THR N N 115.810 0.1 1 224 60 LYS C C 176.400 0.1 1 225 60 LYS CA C 56.230 0.1 1 226 60 LYS CB C 32.540 0.1 1 227 60 LYS N N 123.520 0.1 1 228 61 GLU C C 176.150 0.1 1 229 61 GLU CA C 56.360 0.1 1 230 61 GLU CB C 29.900 0.1 1 231 61 GLU N N 122.010 0.1 1 232 62 GLN C C 175.690 0.1 1 233 62 GLN CA C 55.410 0.1 1 234 62 GLN CB C 29.110 0.1 1 235 62 GLN N N 121.620 0.1 1 236 63 VAL C C 176.070 0.1 1 237 63 VAL CA C 61.950 0.1 1 238 63 VAL CB C 32.390 0.1 1 239 63 VAL N N 121.810 0.1 1 240 64 THR C C 173.770 0.1 1 241 64 THR CA C 61.320 0.1 1 242 64 THR CB C 69.400 0.1 1 243 64 THR N N 117.940 0.1 1 244 65 ASN C C 174.970 0.1 1 245 65 ASN CA C 52.690 0.1 1 246 65 ASN CB C 38.570 0.1 1 247 65 ASN N N 121.660 0.1 1 248 66 VAL C C 176.590 0.1 1 249 66 VAL CA C 62.300 0.1 1 250 66 VAL CB C 32.060 0.1 1 251 66 VAL N N 120.560 0.1 1 252 67 GLY C C 174.380 0.1 1 253 67 GLY CA C 44.890 0.1 1 254 67 GLY N N 112.470 0.1 1 255 68 GLY C C 173.450 0.1 1 256 68 GLY CA C 44.600 0.1 1 257 68 GLY N N 108.670 0.1 1 258 69 ALA C C 177.390 0.1 1 259 69 ALA CA C 52.020 0.1 1 260 69 ALA CB C 18.920 0.1 1 261 69 ALA N N 123.610 0.1 1 262 70 VAL C C 176.050 0.1 1 263 70 VAL CA C 61.960 0.1 1 264 70 VAL CB C 32.370 0.1 1 265 70 VAL N N 120.330 0.1 1 266 71 VAL C C 176.010 0.1 1 267 71 VAL CA C 61.840 0.1 1 268 71 VAL CB C 32.380 0.1 1 269 71 VAL N N 125.260 0.1 1 270 72 THR C C 174.630 0.1 1 271 72 THR CA C 61.400 0.1 1 272 72 THR CB C 69.420 0.1 1 273 72 THR N N 118.480 0.1 1 274 73 GLY C C 173.730 0.1 1 275 73 GLY CA C 44.960 0.1 1 276 73 GLY N N 111.200 0.1 1 277 74 VAL C C 176.280 0.1 1 278 74 VAL CA C 61.910 0.1 1 279 74 VAL CB C 32.470 0.1 1 280 74 VAL N N 119.330 0.1 1 281 75 THR C C 173.800 0.1 1 282 75 THR CA C 61.560 0.1 1 283 75 THR CB C 69.470 0.1 1 284 75 THR N N 118.780 0.1 1 285 76 ALA C C 177.290 0.1 1 286 76 ALA CA C 52.080 0.1 1 287 76 ALA CB C 18.950 0.1 1 288 76 ALA N N 127.250 0.1 1 289 77 VAL C C 175.740 0.1 1 290 77 VAL CA C 61.850 0.1 1 291 77 VAL CB C 32.380 0.1 1 292 77 VAL N N 119.920 0.1 1 293 78 ALA C C 177.360 0.1 1 294 78 ALA CA C 52.140 0.1 1 295 78 ALA CB C 18.810 0.1 1 296 78 ALA N N 127.970 0.1 1 297 79 GLN C C 175.670 0.1 1 298 79 GLN CA C 55.410 0.1 1 299 79 GLN CB C 29.270 0.1 1 300 79 GLN N N 120.210 0.1 1 301 80 LYS C C 176.410 0.1 1 302 80 LYS CA C 56.040 0.1 1 303 80 LYS CB C 32.750 0.1 1 304 80 LYS N N 123.110 0.1 1 305 81 THR C C 174.150 0.1 1 306 81 THR CA C 61.590 0.1 1 307 81 THR CB C 69.510 0.1 1 308 81 THR N N 116.760 0.1 1 309 82 VAL C C 175.870 0.1 1 310 82 VAL CA C 61.900 0.1 1 311 82 VAL CB C 32.440 0.1 1 312 82 VAL N N 122.900 0.1 1 313 83 GLU C C 176.750 0.1 1 314 83 GLU CA C 56.510 0.1 1 315 83 GLU CB C 29.890 0.1 1 316 83 GLU N N 125.170 0.1 1 317 84 GLY C C 173.870 0.1 1 318 84 GLY CA C 44.940 0.1 1 319 84 GLY N N 110.550 0.1 1 320 85 ALA C C 178.220 0.1 1 321 85 ALA CA C 52.560 0.1 1 322 85 ALA CB C 18.800 0.1 1 323 85 ALA N N 123.790 0.1 1 324 86 GLY C C 174.020 0.1 1 325 86 GLY CA C 44.960 0.1 1 326 86 GLY N N 108.010 0.1 1 327 87 SER C C 174.440 0.1 1 328 87 SER CA C 58.020 0.1 1 329 87 SER CB C 63.580 0.1 1 330 87 SER N N 115.530 0.1 1 331 88 ILE C C 176.000 0.1 1 332 88 ILE CA C 60.970 0.1 1 333 88 ILE CB C 38.290 0.1 1 334 88 ILE N N 122.600 0.1 1 335 89 ALA C C 177.290 0.1 1 336 89 ALA CA C 52.230 0.1 1 337 89 ALA CB C 18.640 0.1 1 338 89 ALA N N 127.880 0.1 1 339 90 ALA C C 177.450 0.1 1 340 90 ALA CA C 52.260 0.1 1 341 90 ALA CB C 18.800 0.1 1 342 90 ALA N N 123.170 0.1 1 343 91 ALA C C 177.850 0.1 1 344 91 ALA CA C 52.250 0.1 1 345 91 ALA CB C 18.800 0.1 1 346 91 ALA N N 123.260 0.1 1 347 92 THR C C 174.880 0.1 1 348 92 THR CA C 61.740 0.1 1 349 92 THR CB C 69.520 0.1 1 350 92 THR N N 112.470 0.1 1 351 93 GLY C C 173.330 0.1 1 352 93 GLY CA C 44.880 0.1 1 353 93 GLY N N 110.540 0.1 1 354 94 PHE C C 175.190 0.1 1 355 94 PHE CA C 57.480 0.1 1 356 94 PHE CB C 39.330 0.1 1 357 94 PHE N N 120.160 0.1 1 358 95 VAL C C 175.140 0.1 1 359 95 VAL CA C 61.670 0.1 1 360 95 VAL CB C 32.680 0.1 1 361 95 VAL N N 123.630 0.1 1 362 96 LYS C C 176.220 0.1 1 363 96 LYS CA C 56.040 0.1 1 364 96 LYS CB C 32.590 0.1 1 365 96 LYS N N 126.280 0.1 1 366 97 LYS C C 176.100 0.1 1 367 97 LYS CA C 56.200 0.1 1 368 97 LYS CB C 32.750 0.1 1 369 97 LYS N N 123.600 0.1 1 370 98 ASP C C 175.940 0.1 1 371 98 ASP CA C 54.140 0.1 1 372 98 ASP CB C 40.670 0.1 1 373 98 ASP N N 121.040 0.1 1 374 99 GLN C C 175.760 0.1 1 375 99 GLN CA C 55.410 0.1 1 376 99 GLN CB C 29.080 0.1 1 377 99 GLN N N 120.020 0.1 1 378 100 LEU C C 177.730 0.1 1 379 100 LEU CA C 55.090 0.1 1 380 100 LEU CB C 41.870 0.1 1 381 100 LEU N N 122.680 0.1 1 382 101 GLY C C 173.810 0.1 1 383 101 GLY CA C 44.950 0.1 1 384 101 GLY N N 109.640 0.1 1 385 102 LYS C C 176.200 0.1 1 386 102 LYS CA C 55.890 0.1 1 387 102 LYS CB C 32.750 0.1 1 388 102 LYS N N 120.600 0.1 1 389 103 ASN C C 175.010 0.1 1 390 103 ASN CA C 53.030 0.1 1 391 103 ASN CB C 38.450 0.1 1 392 103 ASN N N 119.810 0.1 1 393 104 GLU C C 176.260 0.1 1 394 104 GLU CA C 56.370 0.1 1 395 104 GLU CB C 29.890 0.1 1 396 104 GLU N N 121.260 0.1 1 397 105 GLU C C 176.770 0.1 1 398 105 GLU CA C 56.530 0.1 1 399 105 GLU CB C 29.860 0.1 1 400 105 GLU N N 121.970 0.1 1 401 106 GLY C C 173.140 0.1 1 402 106 GLY CA C 44.650 0.1 1 403 106 GLY N N 110.010 0.1 1 404 107 ALA C C 175.290 0.1 1 405 107 ALA CA C 50.180 0.1 1 406 107 ALA CB C 17.850 0.1 1 407 107 ALA N N 124.790 0.1 1 408 108 PRO C C 176.780 0.1 1 409 108 PRO CA C 62.710 0.1 1 410 108 PRO CB C 31.650 0.1 1 411 108 PRO N N 135.820 0.1 1 412 109 GLN C C 175.700 0.1 1 413 109 GLN CA C 55.410 0.1 1 414 109 GLN CB C 29.260 0.1 1 415 109 GLN N N 121.030 0.1 1 416 110 GLU C C 176.570 0.1 1 417 110 GLU CA C 56.360 0.1 1 418 110 GLU CB C 30.050 0.1 1 419 110 GLU N N 122.390 0.1 1 420 111 GLY C C 173.490 0.1 1 421 111 GLY CA C 44.960 0.1 1 422 111 GLY N N 110.120 0.1 1 423 112 ILE C C 175.990 0.1 1 424 112 ILE CA C 60.630 0.1 1 425 112 ILE CB C 38.290 0.1 1 426 112 ILE N N 119.990 0.1 1 427 113 LEU C C 176.880 0.1 1 428 113 LEU CA C 54.630 0.1 1 429 113 LEU CB C 41.960 0.1 1 430 113 LEU N N 126.850 0.1 1 431 114 GLU C C 175.610 0.1 1 432 114 GLU CA C 56.200 0.1 1 433 114 GLU CB C 30.210 0.1 1 434 114 GLU N N 122.090 0.1 1 435 115 ASP C C 175.500 0.1 1 436 115 ASP CA C 53.980 0.1 1 437 115 ASP CB C 40.840 0.1 1 438 115 ASP N N 121.260 0.1 1 439 116 MET C C 173.780 0.1 1 440 116 MET CA C 52.870 0.1 1 441 116 MET CB C 32.110 0.1 1 442 116 MET N N 121.830 0.1 1 443 117 PRO C C 176.430 0.1 1 444 117 PRO CA C 62.550 0.1 1 445 117 PRO CB C 31.800 0.1 1 446 117 PRO N N 137.230 0.1 1 447 118 VAL C C 175.470 0.1 1 448 118 VAL CA C 61.600 0.1 1 449 118 VAL CB C 32.640 0.1 1 450 118 VAL N N 120.710 0.1 1 451 119 ASP C C 174.430 0.1 1 452 119 ASP CA C 51.750 0.1 1 453 119 ASP CB C 40.810 0.1 1 454 119 ASP N N 125.820 0.1 1 455 120 PRO C C 176.650 0.1 1 456 120 PRO CA C 63.170 0.1 1 457 120 PRO CB C 31.800 0.1 1 458 120 PRO N N 136.340 0.1 1 459 121 ASP C C 175.890 0.1 1 460 121 ASP CA C 54.160 0.1 1 461 121 ASP CB C 40.530 0.1 1 462 121 ASP N N 119.090 0.1 1 463 122 ASN C C 175.120 0.1 1 464 122 ASN CA C 53.120 0.1 1 465 122 ASN CB C 38.940 0.1 1 466 122 ASN N N 118.910 0.1 1 467 123 GLU C C 175.820 0.1 1 468 123 GLU CA C 56.520 0.1 1 469 123 GLU CB C 29.730 0.1 1 470 123 GLU N N 121.600 0.1 1 471 124 ALA C C 176.940 0.1 1 472 124 ALA CA C 51.990 0.1 1 473 124 ALA CB C 18.780 0.1 1 474 124 ALA N N 124.190 0.1 1 475 125 TYR C C 175.060 0.1 1 476 125 TYR CA C 57.480 0.1 1 477 125 TYR CB C 38.620 0.1 1 478 125 TYR N N 119.820 0.1 1 479 126 GLU C C 175.150 0.1 1 480 126 GLU CA C 55.270 0.1 1 481 126 GLU CB C 30.370 0.1 1 482 126 GLU N N 123.650 0.1 1 483 127 MET C C 173.960 0.1 1 484 127 MET CA C 52.880 0.1 1 485 127 MET CB C 31.960 0.1 1 486 127 MET N N 123.690 0.1 1 487 128 PRO C C 176.600 0.1 1 488 128 PRO CA C 62.600 0.1 1 489 128 PRO CB C 31.890 0.1 1 490 128 PRO N N 137.560 0.1 1 491 129 SER C C 174.520 0.1 1 492 129 SER CA C 57.950 0.1 1 493 129 SER CB C 63.570 0.1 1 494 129 SER N N 116.620 0.1 1 495 130 GLU C C 176.270 0.1 1 496 130 GLU CA C 56.200 0.1 1 497 130 GLU CB C 29.910 0.1 1 498 130 GLU N N 123.020 0.1 1 499 131 GLU C C 176.660 0.1 1 500 131 GLU CA C 56.530 0.1 1 501 131 GLU CB C 29.890 0.1 1 502 131 GLU N N 121.760 0.1 1 503 132 GLY C C 173.570 0.1 1 504 132 GLY CA C 44.810 0.1 1 505 132 GLY N N 109.880 0.1 1 506 133 TYR C C 175.480 0.1 1 507 133 TYR CA C 57.780 0.1 1 508 133 TYR CB C 38.450 0.1 1 509 133 TYR N N 120.130 0.1 1 510 134 GLN C C 174.610 0.1 1 511 134 GLN CA C 55.100 0.1 1 512 134 GLN CB C 29.430 0.1 1 513 134 GLN N N 122.520 0.1 1 514 135 ASP C C 175.230 0.1 1 515 135 ASP CA C 53.920 0.1 1 516 135 ASP CB C 40.840 0.1 1 517 135 ASP N N 121.500 0.1 1 518 136 TYR C C 174.790 0.1 1 519 136 TYR CA C 57.250 0.1 1 520 136 TYR CB C 38.770 0.1 1 521 136 TYR N N 120.290 0.1 1 522 137 GLU C C 173.410 0.1 1 523 137 GLU CA C 53.360 0.1 1 524 137 GLU CB C 29.890 0.1 1 525 137 GLU N N 125.220 0.1 1 526 138 PRO C C 176.580 0.1 1 527 138 PRO CA C 62.550 0.1 1 528 138 PRO CB C 31.840 0.1 1 529 138 PRO N N 136.600 0.1 1 530 139 GLU C C 175.120 0.1 1 531 139 GLU CA C 56.210 0.1 1 532 139 GLU CB C 29.900 0.1 1 533 139 GLU N N 121.390 0.1 1 534 140 ALA C C 182.280 0.1 1 535 140 ALA N N 130.730 0.1 1 stop_ save_