data_27027 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N-terminally acetylated beta-Synuclein ; _BMRB_accession_number 27027 _BMRB_flat_file_name bmr27027.str _Entry_type original _Submission_date 2017-02-06 _Accession_date 2017-02-06 _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 Miotto Marco C. . 2 Pavese Mayra D. . 3 Quintanar Liliana . . 4 Zweckstetter Markus . . 5 Griesinger Christian . . 6 Fernandez Claudio O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 255 "13C chemical shifts" 385 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-09-14 update BMRB 'update entry citation' 2017-08-23 original author 'original release' stop_ _Original_release_date 2017-02-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Bioinorganic Chemistry of Parkinson's Disease: Affinity and Structural Features of Cu(I) Binding to the Full-Length beta-Synuclein Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28820253 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Miotto Marco C. . 2 Pavese Mayra D. . 3 Quintanar Liliana . . 4 Zweckstetter Markus . . 5 Griesinger Christian . . 6 Fernandez Claudio O. . stop_ _Journal_abbreviation 'Inorg. Chem.' _Journal_volume 56 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10387 _Page_last 10395 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AcBS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AcBS $AcBS stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AcBS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AcBS _Molecular_mass . _Mol_thiol_state 'not present' _Details 'N-terminal acetylation of residue Met1' ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; XMDVFMKGLSMAKEGVVAAA EKTKQGVTEAAEKTKEGVLY VGSKTREGVVQGVASVAEKT KEQASHLGGAVFSGAGNIAA ATGLVKREEFPTDLKPEEVA QEAAEEPLIEPLMEPEGESY EDPPQEEYQEYEPEA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 ACE 2 1 MET 3 2 ASP 4 3 VAL 5 4 PHE 6 5 MET 7 6 LYS 8 7 GLY 9 8 LEU 10 9 SER 11 10 MET 12 11 ALA 13 12 LYS 14 13 GLU 15 14 GLY 16 15 VAL 17 16 VAL 18 17 ALA 19 18 ALA 20 19 ALA 21 20 GLU 22 21 LYS 23 22 THR 24 23 LYS 25 24 GLN 26 25 GLY 27 26 VAL 28 27 THR 29 28 GLU 30 29 ALA 31 30 ALA 32 31 GLU 33 32 LYS 34 33 THR 35 34 LYS 36 35 GLU 37 36 GLY 38 37 VAL 39 38 LEU 40 39 TYR 41 40 VAL 42 41 GLY 43 42 SER 44 43 LYS 45 44 THR 46 45 ARG 47 46 GLU 48 47 GLY 49 48 VAL 50 49 VAL 51 50 GLN 52 51 GLY 53 52 VAL 54 53 ALA 55 54 SER 56 55 VAL 57 56 ALA 58 57 GLU 59 58 LYS 60 59 THR 61 60 LYS 62 61 GLU 63 62 GLN 64 63 ALA 65 64 SER 66 65 HIS 67 66 LEU 68 67 GLY 69 68 GLY 70 69 ALA 71 70 VAL 72 71 PHE 73 72 SER 74 73 GLY 75 74 ALA 76 75 GLY 77 76 ASN 78 77 ILE 79 78 ALA 80 79 ALA 81 80 ALA 82 81 THR 83 82 GLY 84 83 LEU 85 84 VAL 86 85 LYS 87 86 ARG 88 87 GLU 89 88 GLU 90 89 PHE 91 90 PRO 92 91 THR 93 92 ASP 94 93 LEU 95 94 LYS 96 95 PRO 97 96 GLU 98 97 GLU 99 98 VAL 100 99 ALA 101 100 GLN 102 101 GLU 103 102 ALA 104 103 ALA 105 104 GLU 106 105 GLU 107 106 PRO 108 107 LEU 109 108 ILE 110 109 GLU 111 110 PRO 112 111 LEU 113 112 MET 114 113 GLU 115 114 PRO 116 115 GLU 117 116 GLY 118 117 GLU 119 118 SER 120 119 TYR 121 120 GLU 122 121 ASP 123 122 PRO 124 123 PRO 125 124 GLN 126 125 GLU 127 126 GLU 128 127 TYR 129 128 GLN 130 129 GLU 131 130 TYR 132 131 GLU 133 132 PRO 134 133 GLU 135 134 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AcBS 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 $AcBS 'recombinant technology' . Escherichia coli . pT7 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 $AcBS 0.2 mM '[U-100% 13C; U-100% 15N]' MES 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'MES 20mM, NaCl 100mM, pH 6.5, 288K' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 288 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HNHA' 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 AcBS _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 2 MET H H 8.453 0.020 1 2 1 2 MET HA H 4.429 0.020 1 3 1 2 MET C C 176.580 0.3 1 4 1 2 MET CA C 55.963 0.3 1 5 1 2 MET CB C 32.817 0.3 1 6 1 2 MET N N 125.852 0.3 1 7 2 3 ASP H H 8.531 0.020 1 8 2 3 ASP HA H 4.567 0.020 1 9 2 3 ASP C C 176.655 0.3 1 10 2 3 ASP CA C 54.467 0.3 1 11 2 3 ASP CB C 40.699 0.3 1 12 2 3 ASP N N 120.910 0.3 1 13 3 4 VAL H H 7.909 0.020 1 14 3 4 VAL HA H 3.960 0.020 1 15 3 4 VAL C C 176.519 0.3 1 16 3 4 VAL CA C 63.246 0.3 1 17 3 4 VAL CB C 32.318 0.3 1 18 3 4 VAL N N 119.431 0.3 1 19 4 5 PHE H H 8.207 0.020 1 20 4 5 PHE HA H 4.567 0.020 1 21 4 5 PHE C C 176.338 0.3 1 22 4 5 PHE CA C 58.358 0.3 1 23 4 5 PHE CB C 39.103 0.3 1 24 4 5 PHE N N 122.602 0.3 1 25 5 6 MET H H 8.233 0.020 1 26 5 6 MET HA H 4.354 0.020 1 27 5 6 MET C C 176.444 0.3 1 28 5 6 MET CA C 55.863 0.3 1 29 5 6 MET CB C 32.318 0.3 1 30 5 6 MET N N 121.064 0.3 1 31 6 7 LYS H H 8.219 0.020 1 32 6 7 LYS HA H 4.198 0.020 1 33 6 7 LYS C C 177.366 0.3 1 34 6 7 LYS CA C 57.160 0.3 1 35 6 7 LYS CB C 32.518 0.3 1 36 6 7 LYS N N 121.939 0.3 1 37 7 8 GLY H H 8.347 0.020 1 38 7 8 GLY HA2 H 3.942 0.020 1 39 7 8 GLY HA3 H 3.942 0.020 1 40 7 8 GLY C C 174.433 0.3 1 41 7 8 GLY CA C 45.388 0.3 1 42 7 8 GLY N N 109.381 0.3 1 43 8 9 LEU H H 8.009 0.020 1 44 8 9 LEU HA H 4.354 0.020 1 45 8 9 LEU C C 177.759 0.3 1 46 8 9 LEU CA C 55.365 0.3 1 47 8 9 LEU CB C 42.295 0.3 1 48 8 9 LEU N N 121.526 0.3 1 49 9 10 SER H H 8.312 0.020 1 50 9 10 SER HA H 4.417 0.020 1 51 9 10 SER C C 174.720 0.3 1 52 9 10 SER CA C 58.457 0.3 1 53 9 10 SER CB C 63.545 0.3 1 54 9 10 SER N N 116.189 0.3 1 55 10 11 MET H H 8.350 0.020 1 56 10 11 MET C C 176.081 0.3 1 57 10 11 MET CA C 55.464 0.3 1 58 10 11 MET CB C 32.718 0.3 1 59 10 11 MET N N 122.296 0.3 1 60 11 12 ALA H H 8.252 0.020 1 61 11 12 ALA HA H 4.304 0.020 1 62 11 12 ALA C C 177.834 0.3 1 63 11 12 ALA CA C 52.571 0.3 1 64 11 12 ALA CB C 19.049 0.3 1 65 11 12 ALA N N 125.100 0.3 1 66 12 13 LYS H H 8.343 0.020 1 67 12 13 LYS HA H 4.286 0.020 1 68 12 13 LYS C C 176.716 0.3 1 69 12 13 LYS CA C 56.362 0.3 1 70 12 13 LYS CB C 32.917 0.3 1 71 12 13 LYS N N 120.951 0.3 1 72 13 14 GLU H H 8.485 0.020 1 73 13 14 GLU HA H 4.254 0.020 1 74 13 14 GLU C C 177.060 0.3 1 75 13 14 GLU CA C 56.661 0.3 1 76 13 14 GLU CB C 30.024 0.3 1 77 13 14 GLU N N 121.826 0.3 1 78 14 15 GLY H H 8.454 0.020 1 79 14 15 GLY HA2 H 3.948 0.020 1 80 14 15 GLY HA3 H 3.948 0.020 1 81 14 15 GLY C C 174.040 0.3 1 82 14 15 GLY CA C 45.188 0.3 1 83 14 15 GLY N N 110.083 0.3 1 84 15 16 VAL H H 7.985 0.020 1 85 15 16 VAL HA H 4.098 0.020 1 86 15 16 VAL C C 176.474 0.3 1 87 15 16 VAL CA C 62.647 0.3 1 88 15 16 VAL CB C 32.418 0.3 1 89 15 16 VAL N N 120.153 0.3 1 90 16 17 VAL H H 8.303 0.020 1 91 16 17 VAL HA H 4.067 0.020 1 92 16 17 VAL C C 176.020 0.3 1 93 16 17 VAL CA C 62.448 0.3 1 94 16 17 VAL CB C 32.518 0.3 1 95 16 17 VAL N N 125.128 0.3 1 96 17 18 ALA H H 8.463 0.020 1 97 17 18 ALA HA H 4.286 0.020 1 98 17 18 ALA C C 177.668 0.3 1 99 17 18 ALA CA C 52.471 0.3 1 100 17 18 ALA CB C 18.950 0.3 1 101 17 18 ALA N N 128.362 0.3 1 102 18 19 ALA H H 8.328 0.020 1 103 18 19 ALA HA H 4.236 0.020 1 104 18 19 ALA C C 177.925 0.3 1 105 18 19 ALA CA C 52.571 0.3 1 106 18 19 ALA CB C 18.950 0.3 1 107 18 19 ALA N N 123.681 0.3 1 108 19 20 ALA H H 8.292 0.020 1 109 19 20 ALA HA H 4.267 0.020 1 110 19 20 ALA C C 178.182 0.3 1 111 19 20 ALA CA C 52.671 0.3 1 112 19 20 ALA CB C 19.049 0.3 1 113 19 20 ALA N N 123.120 0.3 1 114 20 21 GLU H H 8.354 0.020 1 115 20 21 GLU HA H 4.229 0.020 1 116 20 21 GLU C C 176.852 0.3 1 117 20 21 GLU CA C 56.661 0.3 1 118 20 21 GLU CB C 30.124 0.3 1 119 20 21 GLU N N 120.099 0.3 1 120 21 22 LYS H H 8.359 0.020 1 121 21 22 LYS C C 177.109 0.3 1 122 21 22 LYS CA C 56.562 0.3 1 123 21 22 LYS CB C 32.718 0.3 1 124 21 22 LYS N N 122.281 0.3 1 125 22 23 THR H H 8.150 0.020 1 126 22 23 THR HA H 4.279 0.020 1 127 22 23 THR C C 174.690 0.3 1 128 22 23 THR CA C 62.248 0.3 1 129 22 23 THR CB C 69.731 0.3 1 130 22 23 THR N N 115.224 0.3 1 131 23 24 LYS H H 8.358 0.020 1 132 23 24 LYS HA H 4.292 0.020 1 133 23 24 LYS C C 176.595 0.3 1 134 23 24 LYS CA C 56.661 0.3 1 135 23 24 LYS CB C 32.718 0.3 1 136 23 24 LYS N N 123.834 0.3 1 137 24 25 GLN H H 8.440 0.020 1 138 24 25 GLN HA H 4.267 0.020 1 139 24 25 GLN C C 177.018 0.3 1 140 24 25 GLN CA C 56.262 0.3 1 141 24 25 GLN CB C 29.325 0.3 1 142 24 25 GLN N N 121.779 0.3 1 143 25 26 GLY H H 8.512 0.020 1 144 25 26 GLY HA2 H 3.973 0.020 1 145 25 26 GLY HA3 H 3.973 0.020 1 146 25 26 GLY C C 174.161 0.3 1 147 25 26 GLY CA C 45.288 0.3 1 148 25 26 GLY N N 110.552 0.3 1 149 26 27 VAL H H 8.094 0.020 1 150 26 27 VAL HA H 4.173 0.020 1 151 26 27 VAL C C 176.731 0.3 1 152 26 27 VAL CA C 62.548 0.3 1 153 26 27 VAL CB C 32.518 0.3 1 154 26 27 VAL N N 119.670 0.3 1 155 27 28 THR H H 8.337 0.020 1 156 27 28 THR HA H 4.342 0.020 1 157 27 28 THR C C 174.645 0.3 1 158 27 28 THR CA C 62.149 0.3 1 159 27 28 THR CB C 69.631 0.3 1 160 27 28 THR N N 118.571 0.3 1 161 28 29 GLU H H 8.522 0.020 1 162 28 29 GLU HA H 4.267 0.020 1 163 28 29 GLU C C 176.338 0.3 1 164 28 29 GLU CA C 56.462 0.3 1 165 28 29 GLU CB C 30.124 0.3 1 166 28 29 GLU N N 124.082 0.3 1 167 29 30 ALA H H 8.393 0.020 1 168 29 30 ALA HA H 4.254 0.020 1 169 29 30 ALA C C 177.759 0.3 1 170 29 30 ALA CA C 52.671 0.3 1 171 29 30 ALA CB C 18.950 0.3 1 172 29 30 ALA N N 125.205 0.3 1 173 30 31 ALA H H 8.279 0.020 1 174 30 31 ALA HA H 4.273 0.020 1 175 30 31 ALA C C 178.167 0.3 1 176 30 31 ALA CA C 52.671 0.3 1 177 30 31 ALA CB C 19.049 0.3 1 178 30 31 ALA N N 123.299 0.3 1 179 31 32 GLU H H 8.368 0.020 1 180 31 32 GLU HA H 4.229 0.020 1 181 31 32 GLU C C 176.791 0.3 1 182 31 32 GLU CA C 56.661 0.3 1 183 31 32 GLU CB C 30.124 0.3 1 184 31 32 GLU N N 119.930 0.3 1 185 32 33 LYS H H 8.340 0.020 1 186 32 33 LYS HA H 4.361 0.020 1 187 32 33 LYS C C 177.063 0.3 1 188 32 33 LYS CA C 56.562 0.3 1 189 32 33 LYS CB C 32.917 0.3 1 190 32 33 LYS N N 122.215 0.3 1 191 33 34 THR H H 8.185 0.020 1 192 33 34 THR HA H 4.304 0.020 1 193 33 34 THR C C 174.766 0.3 1 194 33 34 THR CA C 62.049 0.3 1 195 33 34 THR CB C 69.731 0.3 1 196 33 34 THR N N 115.407 0.3 1 197 34 35 LYS H H 8.407 0.020 1 198 34 35 LYS HA H 4.279 0.020 1 199 34 35 LYS C C 176.610 0.3 1 200 34 35 LYS CA C 56.562 0.3 1 201 34 35 LYS CB C 32.718 0.3 1 202 34 35 LYS N N 123.704 0.3 1 203 35 36 GLU H H 8.423 0.020 1 204 35 36 GLU HA H 4.261 0.020 1 205 35 36 GLU C C 177.018 0.3 1 206 35 36 GLU CA C 56.661 0.3 1 207 35 36 GLU CB C 29.924 0.3 1 208 35 36 GLU N N 121.697 0.3 1 209 36 37 GLY H H 8.447 0.020 1 210 36 37 GLY HA2 H 3.954 0.020 1 211 36 37 GLY HA3 H 3.954 0.020 1 212 36 37 GLY C C 174.055 0.3 1 213 36 37 GLY CA C 45.288 0.3 1 214 36 37 GLY N N 109.938 0.3 1 215 37 38 VAL H H 7.924 0.020 1 216 37 38 VAL HA H 4.054 0.020 1 217 37 38 VAL C C 175.960 0.3 1 218 37 38 VAL CA C 62.348 0.3 1 219 37 38 VAL CB C 32.518 0.3 1 220 37 38 VAL N N 119.571 0.3 1 221 38 39 LEU H H 8.290 0.020 1 222 38 39 LEU HA H 4.329 0.020 1 223 38 39 LEU C C 176.701 0.3 1 224 38 39 LEU CA C 54.866 0.3 1 225 38 39 LEU CB C 42.295 0.3 1 226 38 39 LEU N N 125.662 0.3 1 227 39 40 TYR H H 8.285 0.020 1 228 39 40 TYR HA H 4.586 0.020 1 229 39 40 TYR C C 175.612 0.3 1 230 39 40 TYR CA C 57.958 0.3 1 231 39 40 TYR CB C 38.604 0.3 1 232 39 40 TYR N N 122.355 0.3 1 233 40 41 VAL H H 8.097 0.020 1 234 40 41 VAL HA H 4.060 0.020 1 235 40 41 VAL C C 176.202 0.3 1 236 40 41 VAL CA C 62.149 0.3 1 237 40 41 VAL CB C 32.618 0.3 1 238 40 41 VAL N N 123.244 0.3 1 239 41 42 GLY H H 8.081 0.020 1 240 41 42 GLY HA2 H 3.935 0.020 1 241 41 42 GLY HA3 H 3.935 0.020 1 242 41 42 GLY C C 173.995 0.3 1 243 41 42 GLY CA C 45.188 0.3 1 244 41 42 GLY N N 112.172 0.3 1 245 42 43 SER H H 8.271 0.020 1 246 42 43 SER HA H 4.442 0.020 1 247 42 43 SER C C 174.826 0.3 1 248 42 43 SER CA C 58.258 0.3 1 249 42 43 SER CB C 63.745 0.3 1 250 42 43 SER N N 115.651 0.3 1 251 43 44 LYS H H 8.494 0.020 1 252 43 44 LYS HA H 4.423 0.020 1 253 43 44 LYS C C 176.882 0.3 1 254 43 44 LYS CA C 56.462 0.3 1 255 43 44 LYS CB C 32.917 0.3 1 256 43 44 LYS N N 123.418 0.3 1 257 44 45 THR H H 8.207 0.020 1 258 44 45 THR HA H 4.304 0.020 1 259 44 45 THR C C 174.599 0.3 1 260 44 45 THR CA C 61.949 0.3 1 261 44 45 THR CB C 69.731 0.3 1 262 44 45 THR N N 115.316 0.3 1 263 45 46 ARG H H 8.449 0.020 1 264 45 46 ARG HA H 4.323 0.020 1 265 45 46 ARG C C 176.217 0.3 1 266 45 46 ARG CA C 56.163 0.3 1 267 45 46 ARG CB C 30.622 0.3 1 268 45 46 ARG N N 123.405 0.3 1 269 46 47 GLU H H 8.498 0.020 1 270 46 47 GLU HA H 4.261 0.020 1 271 46 47 GLU C C 176.942 0.3 1 272 46 47 GLU CA C 56.661 0.3 1 273 46 47 GLU CB C 30.124 0.3 1 274 46 47 GLU N N 122.159 0.3 1 275 47 48 GLY H H 8.487 0.020 1 276 47 48 GLY HA2 H 3.954 0.020 1 277 47 48 GLY HA3 H 3.954 0.020 1 278 47 48 GLY C C 173.934 0.3 1 279 47 48 GLY CA C 45.188 0.3 1 280 47 48 GLY N N 110.080 0.3 1 281 48 49 VAL H H 7.954 0.020 1 282 48 49 VAL HA H 4.123 0.020 1 283 48 49 VAL C C 176.308 0.3 1 284 48 49 VAL CA C 62.248 0.3 1 285 48 49 VAL CB C 32.618 0.3 1 286 48 49 VAL N N 119.921 0.3 1 287 49 50 VAL H H 8.383 0.020 1 288 49 50 VAL HA H 4.092 0.020 1 289 49 50 VAL C C 176.066 0.3 1 290 49 50 VAL CA C 62.248 0.3 1 291 49 50 VAL CB C 32.518 0.3 1 292 49 50 VAL N N 125.454 0.3 1 293 50 51 GLN H H 8.601 0.020 1 294 50 51 GLN HA H 4.336 0.020 1 295 50 51 GLN C C 176.308 0.3 1 296 50 51 GLN CA C 55.963 0.3 1 297 50 51 GLN CB C 29.425 0.3 1 298 50 51 GLN N N 125.300 0.3 1 299 51 52 GLY H H 8.507 0.020 1 300 51 52 GLY HA2 H 3.960 0.020 1 301 51 52 GLY HA3 H 3.960 0.020 1 302 51 52 GLY C C 173.904 0.3 1 303 51 52 GLY CA C 45.089 0.3 1 304 51 52 GLY N N 110.782 0.3 1 305 52 53 VAL H H 8.069 0.020 1 306 52 53 VAL HA H 4.135 0.020 1 307 52 53 VAL C C 176.051 0.3 1 308 52 53 VAL CA C 62.049 0.3 1 309 52 53 VAL CB C 32.718 0.3 1 310 52 53 VAL N N 119.569 0.3 1 311 53 54 ALA H H 8.501 0.020 1 312 53 54 ALA HA H 4.348 0.020 1 313 53 54 ALA C C 177.774 0.3 1 314 53 54 ALA CA C 52.471 0.3 1 315 53 54 ALA CB C 19.149 0.3 1 316 53 54 ALA N N 128.063 0.3 1 317 54 55 SER H H 8.364 0.020 1 318 54 55 SER HA H 4.448 0.020 1 319 54 55 SER C C 174.735 0.3 1 320 54 55 SER CA C 58.158 0.3 1 321 54 55 SER CB C 63.845 0.3 1 322 54 55 SER N N 115.905 0.3 1 323 55 56 VAL H H 8.246 0.020 1 324 55 56 VAL HA H 4.104 0.020 1 325 55 56 VAL C C 176.217 0.3 1 326 55 56 VAL CA C 62.548 0.3 1 327 55 56 VAL CB C 32.518 0.3 1 328 55 56 VAL N N 122.055 0.3 1 329 56 57 ALA H H 8.377 0.020 1 330 56 57 ALA HA H 4.286 0.020 1 331 56 57 ALA C C 178.061 0.3 1 332 56 57 ALA CA C 52.671 0.3 1 333 56 57 ALA CB C 19.049 0.3 1 334 56 57 ALA N N 127.299 0.3 1 335 57 58 GLU H H 8.339 0.020 1 336 57 58 GLU C C 176.942 0.3 1 337 57 58 GLU CA C 56.362 0.3 1 338 57 58 GLU CB C 30.323 0.3 1 339 57 58 GLU N N 120.677 0.3 1 340 58 59 LYS H H 8.416 0.020 1 341 58 59 LYS HA H 4.329 0.020 1 342 58 59 LYS C C 177.215 0.3 1 343 58 59 LYS CA C 56.362 0.3 1 344 58 59 LYS CB C 32.717 0.3 1 345 58 59 LYS N N 122.518 0.3 1 346 59 60 THR H H 8.211 0.020 1 347 59 60 THR HA H 4.273 0.020 1 348 59 60 THR C C 174.917 0.3 1 349 59 60 THR CA C 62.248 0.3 1 350 59 60 THR CB C 69.731 0.3 1 351 59 60 THR N N 115.560 0.3 1 352 60 61 LYS H H 8.366 0.020 1 353 60 61 LYS HA H 4.267 0.020 1 354 60 61 LYS C C 177.094 0.3 1 355 60 61 LYS CA C 56.961 0.3 1 356 60 61 LYS CB C 32.618 0.3 1 357 60 61 LYS N N 123.506 0.3 1 358 61 62 GLU H H 8.442 0.020 1 359 61 62 GLU HA H 4.254 0.020 1 360 61 62 GLU C C 177.003 0.3 1 361 61 62 GLU CA C 57.160 0.3 1 362 61 62 GLU CB C 29.824 0.3 1 363 61 62 GLU N N 121.883 0.3 1 364 62 63 GLN H H 8.387 0.020 1 365 62 63 GLN HA H 4.254 0.020 1 366 62 63 GLN C C 176.202 0.3 1 367 62 63 GLN CA C 56.262 0.3 1 368 62 63 GLN CB C 29.226 0.3 1 369 62 63 GLN N N 121.270 0.3 1 370 63 64 ALA H H 8.353 0.020 1 371 63 64 ALA HA H 4.298 0.020 1 372 63 64 ALA C C 178.046 0.3 1 373 63 64 ALA CA C 52.771 0.3 1 374 63 64 ALA CB C 19.049 0.3 1 375 63 64 ALA N N 124.773 0.3 1 376 64 65 SER H H 8.258 0.020 1 377 64 65 SER HA H 4.367 0.020 1 378 64 65 SER C C 174.569 0.3 1 379 64 65 SER CA C 58.557 0.3 1 380 64 65 SER CB C 63.645 0.3 1 381 64 65 SER N N 114.671 0.3 1 382 65 66 HIS H H 8.354 0.020 1 383 65 66 HIS C C 174.977 0.3 1 384 65 66 HIS CA C 55.963 0.3 1 385 65 66 HIS CB C 29.625 0.3 1 386 65 66 HIS N N 120.701 0.3 1 387 66 67 LEU H H 8.226 0.020 1 388 66 67 LEU HA H 4.304 0.020 1 389 66 67 LEU C C 177.910 0.3 1 390 66 67 LEU CA C 55.564 0.3 1 391 66 67 LEU CB C 41.996 0.3 1 392 66 67 LEU N N 123.165 0.3 1 393 67 68 GLY H H 8.443 0.020 1 394 67 68 GLY HA2 H 3.960 0.020 1 395 67 68 GLY HA3 H 3.960 0.020 1 396 67 68 GLY C C 174.660 0.3 1 397 67 68 GLY CA C 45.288 0.3 1 398 67 68 GLY N N 109.733 0.3 1 399 68 69 GLY H H 8.282 0.020 1 400 68 69 GLY HA2 H 3.960 0.020 1 401 68 69 GLY HA3 H 3.960 0.020 1 402 68 69 GLY C C 173.828 0.3 1 403 68 69 GLY CA C 45.089 0.3 1 404 68 69 GLY N N 108.755 0.3 1 405 69 70 ALA H H 8.207 0.020 1 406 69 70 ALA HA H 4.304 0.020 1 407 69 70 ALA C C 177.623 0.3 1 408 69 70 ALA CA C 52.372 0.3 1 409 69 70 ALA CB C 19.149 0.3 1 410 69 70 ALA N N 123.883 0.3 1 411 70 71 VAL H H 8.104 0.020 1 412 70 71 VAL HA H 4.042 0.020 1 413 70 71 VAL C C 175.930 0.3 1 414 70 71 VAL CA C 62.049 0.3 1 415 70 71 VAL CB C 32.817 0.3 1 416 70 71 VAL N N 119.354 0.3 1 417 71 72 PHE H H 8.432 0.020 1 418 71 72 PHE HA H 4.692 0.020 1 419 71 72 PHE C C 175.717 0.3 1 420 71 72 PHE CA C 57.759 0.3 1 421 71 72 PHE CB C 39.701 0.3 1 422 71 72 PHE N N 124.484 0.3 1 423 72 73 SER H H 8.353 0.020 1 424 72 73 SER HA H 4.386 0.020 1 425 72 73 SER C C 174.736 0.3 1 426 72 73 SER CA C 58.058 0.3 1 427 72 73 SER CB C 63.745 0.3 1 428 72 73 SER N N 118.616 0.3 1 429 73 74 GLY H H 7.888 0.020 1 430 73 74 GLY HA2 H 3.917 0.020 1 431 73 74 GLY HA3 H 3.917 0.020 1 432 73 74 GLY C C 173.828 0.3 1 433 73 74 GLY CA C 45.188 0.3 1 434 73 74 GLY N N 110.694 0.3 1 435 74 75 ALA H H 8.240 0.020 1 436 74 75 ALA HA H 4.323 0.020 1 437 74 75 ALA C C 178.318 0.3 1 438 74 75 ALA CA C 52.652 0.3 1 439 74 75 ALA CB C 19.149 0.3 1 440 74 75 ALA N N 123.752 0.3 1 441 75 76 GLY H H 8.459 0.020 1 442 75 76 GLY HA2 H 3.923 0.020 1 443 75 76 GLY HA3 H 3.923 0.020 1 444 75 76 GLY C C 173.904 0.3 1 445 75 76 GLY CA C 45.188 0.3 1 446 75 76 GLY N N 107.846 0.3 1 447 76 77 ASN H H 8.275 0.020 1 448 76 77 ASN HA H 4.717 0.020 1 449 76 77 ASN C C 175.295 0.3 1 450 76 77 ASN CA C 53.070 0.3 1 451 76 77 ASN CB C 38.777 0.3 1 452 76 77 ASN N N 118.705 0.3 1 453 77 78 ILE H H 8.140 0.020 1 454 77 78 ILE HA H 4.135 0.020 1 455 77 78 ILE C C 176.171 0.3 1 456 77 78 ILE CA C 61.450 0.3 1 457 77 78 ILE CB C 38.469 0.3 1 458 77 78 ILE N N 121.558 0.3 1 459 78 79 ALA H H 8.395 0.020 1 460 78 79 ALA HA H 4.273 0.020 1 461 78 79 ALA C C 177.562 0.3 1 462 78 79 ALA CA C 52.571 0.3 1 463 78 79 ALA CB C 18.950 0.3 1 464 78 79 ALA N N 128.066 0.3 1 465 79 80 ALA H H 8.209 0.020 1 466 79 80 ALA HA H 4.273 0.020 1 467 79 80 ALA C C 177.759 0.3 1 468 79 80 ALA CA C 52.471 0.3 1 469 79 80 ALA CB C 19.049 0.3 1 470 79 80 ALA N N 123.338 0.3 1 471 80 81 ALA H H 8.321 0.020 1 472 80 81 ALA HA H 4.361 0.020 1 473 80 81 ALA C C 178.152 0.3 1 474 80 81 ALA CA C 52.571 0.3 1 475 80 81 ALA CB C 19.049 0.3 1 476 80 81 ALA N N 123.337 0.3 1 477 81 82 THR H H 8.101 0.020 1 478 81 82 THR HA H 4.323 0.020 1 479 81 82 THR C C 175.234 0.3 1 480 81 82 THR CA C 61.949 0.3 1 481 81 82 THR CB C 69.831 0.3 1 482 81 82 THR N N 112.492 0.3 1 483 82 83 GLY H H 8.370 0.020 1 484 82 83 GLY HA2 H 3.954 0.020 1 485 82 83 GLY HA3 H 3.954 0.020 1 486 82 83 GLY C C 173.874 0.3 1 487 82 83 GLY CA C 45.188 0.3 1 488 82 83 GLY N N 110.802 0.3 1 489 83 84 LEU H H 8.087 0.020 1 490 83 84 LEU HA H 4.361 0.020 1 491 83 84 LEU C C 177.260 0.3 1 492 83 84 LEU CA C 55.065 0.3 1 493 83 84 LEU CB C 42.295 0.3 1 494 83 84 LEU N N 121.720 0.3 1 495 84 85 VAL H H 8.167 0.020 1 496 84 85 VAL HA H 4.073 0.020 1 497 84 85 VAL C C 175.854 0.3 1 498 84 85 VAL CA C 62.049 0.3 1 499 84 85 VAL CB C 32.618 0.3 1 500 84 85 VAL N N 122.159 0.3 1 501 85 86 LYS H H 8.496 0.020 1 502 85 86 LYS HA H 4.317 0.020 1 503 85 86 LYS C C 176.126 0.3 1 504 85 86 LYS CA C 56.163 0.3 1 505 85 86 LYS CB C 32.817 0.3 1 506 85 86 LYS N N 126.720 0.3 1 507 86 87 ARG H H 8.512 0.020 1 508 86 87 ARG C C 176.096 0.3 1 509 86 87 ARG CA C 56.163 0.3 1 510 86 87 ARG CB C 30.822 0.3 1 511 86 87 ARG N N 124.257 0.3 1 512 87 88 GLU H H 8.594 0.020 1 513 87 88 GLU HA H 4.236 0.020 1 514 87 88 GLU C C 175.869 0.3 1 515 87 88 GLU CA C 56.262 0.3 1 516 87 88 GLU CB C 30.024 0.3 1 517 87 88 GLU N N 122.993 0.3 1 518 88 89 GLU H H 8.386 0.020 1 519 88 89 GLU C C 175.673 0.3 1 520 88 89 GLU CA C 56.414 0.3 1 521 88 89 GLU CB C 30.323 0.3 1 522 88 89 GLU N N 122.244 0.3 1 523 89 90 PHE H H 8.346 0.020 1 524 89 90 PHE HA H 4.911 0.020 1 525 89 90 PHE C C 173.828 0.3 1 526 89 90 PHE CA C 55.764 0.3 1 527 89 90 PHE CB C 39.103 0.3 1 528 89 90 PHE N N 121.450 0.3 1 529 90 91 PRO C C 177.184 0.3 1 530 90 91 PRO CA C 63.246 0.3 1 531 90 91 PRO CB C 32.019 0.3 1 532 91 92 THR H H 8.317 0.020 1 533 91 92 THR HA H 4.336 0.020 1 534 91 92 THR C C 174.312 0.3 1 535 91 92 THR CA C 61.750 0.3 1 536 91 92 THR CB C 69.731 0.3 1 537 91 92 THR N N 114.140 0.3 1 538 92 93 ASP H H 8.378 0.020 1 539 92 93 ASP C C 175.794 0.3 1 540 92 93 ASP CA C 54.267 0.3 1 541 92 93 ASP CB C 40.998 0.3 1 542 92 93 ASP N N 122.385 0.3 1 543 93 94 LEU H H 8.130 0.020 1 544 93 94 LEU HA H 4.336 0.020 1 545 93 94 LEU C C 177.048 0.3 1 546 93 94 LEU CA C 54.965 0.3 1 547 93 94 LEU CB C 42.395 0.3 1 548 93 94 LEU N N 122.512 0.3 1 549 94 95 LYS H H 8.510 0.020 1 550 94 95 LYS HA H 4.586 0.020 1 551 94 95 LYS C C 174.599 0.3 1 552 94 95 LYS CA C 54.267 0.3 1 553 94 95 LYS CB C 32.318 0.3 1 554 94 95 LYS N N 124.465 0.3 1 555 95 96 PRO C C 177.215 0.3 1 556 95 96 PRO CA C 63.346 0.3 1 557 95 96 PRO CB C 32.019 0.3 1 558 96 97 GLU H H 8.735 0.020 1 559 96 97 GLU HA H 4.217 0.020 1 560 96 97 GLU C C 176.685 0.3 1 561 96 97 GLU CA C 56.761 0.3 1 562 96 97 GLU CB C 29.824 0.3 1 563 96 97 GLU N N 120.555 0.3 1 564 97 98 GLU H H 8.399 0.020 1 565 97 98 GLU C C 176.368 0.3 1 566 97 98 GLU CA C 56.366 0.3 1 567 97 98 GLU CB C 30.356 0.3 1 568 97 98 GLU N N 122.342 0.3 1 569 98 99 VAL H H 8.169 0.020 1 570 98 99 VAL HA H 4.079 0.020 1 571 98 99 VAL C C 175.884 0.3 1 572 98 99 VAL CA C 62.149 0.3 1 573 98 99 VAL CB C 32.618 0.3 1 574 98 99 VAL N N 122.004 0.3 1 575 99 100 ALA H H 8.466 0.020 1 576 99 100 ALA HA H 4.298 0.020 1 577 99 100 ALA C C 177.668 0.3 1 578 99 100 ALA CA C 52.471 0.3 1 579 99 100 ALA CB C 19.049 0.3 1 580 99 100 ALA N N 128.439 0.3 1 581 100 101 GLN H H 8.443 0.020 1 582 100 101 GLN HA H 4.298 0.020 1 583 100 101 GLN C C 176.066 0.3 1 584 100 101 GLN CA C 55.764 0.3 1 585 100 101 GLN CB C 29.525 0.3 1 586 100 101 GLN N N 120.569 0.3 1 587 101 102 GLU H H 8.530 0.020 1 588 101 102 GLU HA H 4.254 0.020 1 589 101 102 GLU C C 176.126 0.3 1 590 101 102 GLU CA C 56.262 0.3 1 591 101 102 GLU CB C 30.124 0.3 1 592 101 102 GLU N N 122.868 0.3 1 593 102 103 ALA H H 8.438 0.020 1 594 102 103 ALA HA H 4.317 0.020 1 595 102 103 ALA C C 177.260 0.3 1 596 102 103 ALA CA C 52.272 0.3 1 597 102 103 ALA CB C 19.249 0.3 1 598 102 103 ALA N N 125.784 0.3 1 599 103 104 ALA H H 8.351 0.020 1 600 103 104 ALA HA H 4.317 0.020 1 601 103 104 ALA C C 177.608 0.3 1 602 103 104 ALA CA C 52.172 0.3 1 603 103 104 ALA CB C 19.249 0.3 1 604 103 104 ALA N N 124.217 0.3 1 605 104 105 GLU H H 8.411 0.020 1 606 104 105 GLU HA H 4.279 0.020 1 607 104 105 GLU C C 176.292 0.3 1 608 104 105 GLU CA C 56.063 0.3 1 609 104 105 GLU CB C 30.423 0.3 1 610 104 105 GLU N N 120.785 0.3 1 611 105 106 GLU H H 8.497 0.020 1 612 105 106 GLU C C 174.418 0.3 1 613 105 106 GLU CB C 29.924 0.3 1 614 105 106 GLU N N 124.097 0.3 1 615 106 107 PRO C C 176.519 0.3 1 616 106 107 PRO CA C 62.947 0.3 1 617 106 107 PRO CB C 32.019 0.3 1 618 107 108 LEU H H 8.407 0.020 1 619 107 108 LEU HA H 4.342 0.020 1 620 107 108 LEU C C 177.124 0.3 1 621 107 108 LEU CA C 54.965 0.3 1 622 107 108 LEU CB C 42.096 0.3 1 623 107 108 LEU N N 123.224 0.3 1 624 108 109 ILE H H 8.269 0.020 1 625 108 109 ILE HA H 4.179 0.020 1 626 108 109 ILE C C 175.914 0.3 1 627 108 109 ILE CA C 60.453 0.3 1 628 108 109 ILE CB C 38.504 0.3 1 629 108 109 ILE N N 123.708 0.3 1 630 109 110 GLU H H 8.505 0.020 1 631 109 110 GLU HA H 4.580 0.020 1 632 109 110 GLU C C 174.221 0.3 1 633 109 110 GLU CA C 54.267 0.3 1 634 109 110 GLU CB C 29.725 0.3 1 635 109 110 GLU N N 127.392 0.3 1 636 110 111 PRO C C 176.625 0.3 1 637 110 111 PRO CA C 62.947 0.3 1 638 110 111 PRO CB C 32.019 0.3 1 639 111 112 LEU H H 8.382 0.020 1 640 111 112 LEU HA H 4.317 0.020 1 641 111 112 LEU C C 177.290 0.3 1 642 111 112 LEU CA C 54.866 0.3 1 643 111 112 LEU CB C 42.096 0.3 1 644 111 112 LEU N N 122.703 0.3 1 645 112 113 MET H H 8.448 0.020 1 646 112 113 MET HA H 4.517 0.020 1 647 112 113 MET C C 175.839 0.3 1 648 112 113 MET CA C 54.866 0.3 1 649 112 113 MET CB C 32.917 0.3 1 650 112 113 MET N N 122.455 0.3 1 651 113 114 GLU H H 8.481 0.020 1 652 113 114 GLU C C 174.418 0.3 1 653 113 114 GLU CA C 54.367 0.3 1 654 113 114 GLU CB C 29.625 0.3 1 655 113 114 GLU N N 124.153 0.3 1 656 114 115 PRO C C 177.030 0.3 1 657 114 115 PRO CA C 63.047 0.3 1 658 114 115 PRO CB C 32.019 0.3 1 659 115 116 GLU H H 8.622 0.020 1 660 115 116 GLU HA H 4.261 0.020 1 661 115 116 GLU C C 177.079 0.3 1 662 115 116 GLU CA C 56.562 0.3 1 663 115 116 GLU CB C 30.323 0.3 1 664 115 116 GLU N N 121.721 0.3 1 665 116 117 GLY H H 8.456 0.020 1 666 116 117 GLY HA2 H 3.954 0.020 1 667 116 117 GLY HA3 H 3.954 0.020 1 668 116 117 GLY C C 173.889 0.3 1 669 116 117 GLY CA C 45.089 0.3 1 670 116 117 GLY N N 110.239 0.3 1 671 117 118 GLU H H 8.355 0.020 1 672 117 118 GLU HA H 4.248 0.020 1 673 117 118 GLU C C 176.338 0.3 1 674 117 118 GLU CA C 56.462 0.3 1 675 117 118 GLU CB C 30.323 0.3 1 676 117 118 GLU N N 120.582 0.3 1 677 118 119 SER H H 8.406 0.020 1 678 118 119 SER HA H 4.436 0.020 1 679 118 119 SER C C 173.919 0.3 1 680 118 119 SER CA C 57.958 0.3 1 681 118 119 SER CB C 63.845 0.3 1 682 118 119 SER N N 117.088 0.3 1 683 119 120 TYR H H 8.343 0.020 1 684 119 120 TYR HA H 4.586 0.020 1 685 119 120 TYR C C 175.355 0.3 1 686 119 120 TYR CA C 57.859 0.3 1 687 119 120 TYR CB C 38.903 0.3 1 688 119 120 TYR N N 123.011 0.3 1 689 120 121 GLU H H 8.169 0.020 1 690 120 121 GLU HA H 4.286 0.020 1 691 120 121 GLU C C 175.401 0.3 1 692 120 121 GLU CA C 55.764 0.3 1 693 120 121 GLU CB C 30.922 0.3 1 694 120 121 GLU N N 123.149 0.3 1 695 121 122 ASP H H 8.447 0.020 1 696 121 122 ASP HA H 4.811 0.020 1 697 121 122 ASP C C 173.692 0.3 1 698 121 122 ASP CA C 52.671 0.3 1 699 121 122 ASP CB C 40.200 0.3 1 700 121 122 ASP N N 123.551 0.3 1 701 123 124 PRO C C 176.912 0.3 1 702 123 124 PRO CA C 62.847 0.3 1 703 123 124 PRO CB C 31.919 0.3 1 704 124 125 GLN H H 8.566 0.020 1 705 124 125 GLN HA H 4.298 0.020 1 706 124 125 GLN C C 176.035 0.3 1 707 124 125 GLN CA C 55.664 0.3 1 708 124 125 GLN CB C 29.625 0.3 1 709 124 125 GLN N N 121.274 0.3 1 710 125 126 GLU H H 8.556 0.020 1 711 125 126 GLU HA H 4.261 0.020 1 712 125 126 GLU C C 176.202 0.3 1 713 125 126 GLU CA C 56.262 0.3 1 714 125 126 GLU CB C 30.223 0.3 1 715 125 126 GLU N N 122.993 0.3 1 716 126 127 GLU H H 8.508 0.020 1 717 126 127 GLU HA H 4.254 0.020 1 718 126 127 GLU C C 175.945 0.3 1 719 126 127 GLU CA C 56.362 0.3 1 720 126 127 GLU CB C 30.423 0.3 1 721 126 127 GLU N N 122.456 0.3 1 722 127 128 TYR H H 8.384 0.020 1 723 127 128 TYR HA H 4.561 0.020 1 724 127 128 TYR C C 175.316 0.3 1 725 127 128 TYR CA C 58.058 0.3 1 726 127 128 TYR CB C 38.803 0.3 1 727 127 128 TYR N N 122.460 0.3 1 728 128 129 GLN H H 8.178 0.020 1 729 128 129 GLN HA H 4.261 0.020 1 730 128 129 GLN C C 174.841 0.3 1 731 128 129 GLN CA C 54.965 0.3 1 732 128 129 GLN CB C 29.924 0.3 1 733 128 129 GLN N N 123.756 0.3 1 734 129 130 GLU H H 8.381 0.020 1 735 129 130 GLU HA H 4.148 0.020 1 736 129 130 GLU C C 175.802 0.3 1 737 129 130 GLU CA C 56.262 0.3 1 738 129 130 GLU CB C 30.223 0.3 1 739 129 130 GLU N N 123.011 0.3 1 740 130 131 TYR H H 8.290 0.020 1 741 130 131 TYR HA H 4.561 0.020 1 742 130 131 TYR C C 175.061 0.3 1 743 130 131 TYR CA C 57.559 0.3 1 744 130 131 TYR CB C 39.103 0.3 1 745 130 131 TYR N N 122.002 0.3 1 746 131 132 GLU H H 8.318 0.020 1 747 131 132 GLU HA H 4.542 0.020 1 748 131 132 GLU C C 173.707 0.3 1 749 131 132 GLU CA C 53.668 0.3 1 750 131 132 GLU CB C 30.124 0.3 1 751 131 132 GLU N N 125.615 0.3 1 752 132 133 PRO C C 176.867 0.3 1 753 132 133 PRO CA C 62.947 0.3 1 754 132 133 PRO CB C 32.119 0.3 1 755 133 134 GLU H H 8.545 0.020 1 756 133 134 GLU HA H 4.211 0.020 1 757 133 134 GLU C C 175.401 0.3 1 758 133 134 GLU CA C 56.462 0.3 1 759 133 134 GLU CB C 30.223 0.3 1 760 133 134 GLU N N 121.670 0.3 1 761 134 135 ALA H H 8.020 0.020 1 762 134 135 ALA HA H 4.110 0.020 1 763 134 135 ALA C C 172.574 0.3 1 764 134 135 ALA CA C 53.868 0.3 1 765 134 135 ALA CB C 20.047 0.3 1 766 134 135 ALA N N 130.959 0.3 1 stop_ save_