data_50273 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Maturation of the Functional Mouse CRES Amyloid from Globular Form ; _BMRB_accession_number 50273 _BMRB_flat_file_name bmr50273.str _Entry_type original _Submission_date 2020-05-14 _Accession_date 2020-05-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'backbone chemical shifts for the globular form of Functional Mouse CRES Amyloid' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hewetson Aveline . . 2 Khan Nazmul H. . 3 Dominguez Matthew J. . 4 Do Hoa Q. . 5 Kusko Rebecca E. . 6 Borcik Collin G. . 7 Rigden Daniel J. . 8 Keegan Ronan M. . 9 Sutton Roger B. . 10 Latham Michael P. . 11 Wylie Benjamin J. . 12 Cornwall Gail A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 108 "13C chemical shifts" 210 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-06-08 update BMRB 'update entry citation' 2020-06-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 50275 'globular CRES, in solid state' stop_ _Original_release_date 2020-05-14 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Maturation of the functional mouse CRES amyloid from globular form ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32601205 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hewetson Aveline . . 2 Khan Nazmul H. . 3 Dominguez Matthew J. . 4 Do Hoa Q. . 5 Kusko Rebecca E. . 6 Borcik Collin G. . 7 Rigden Daniel J. . 8 Keegan Ronan M. . 9 Sutton Roger B. . 10 Latham Michael P. . 11 Wylie Benjamin J. . 12 Cornwall Gail A. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 117 _Journal_issue 28 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16363 _Page_last 16372 _Year 2020 _Details . loop_ _Keyword 'Amyloid, liquid state NMR, solid state NMR, crystal structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name CRES _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'globular CRES' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; GAMAHMVGVDQSKNEVKAQN YFGSINISNANVKQAVWFAM KEYNKESEDKYVFLVDKILH AKLQITDRMEYQIDVQISRS NCKKPLNNTENCIPQKKPEL EKKMSCSFLVGALPWNGEFN LLSKECKDV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 14 GLY 2 15 ALA 3 16 MET 4 17 ALA 5 18 HIS 6 19 MET 7 20 VAL 8 21 GLY 9 22 VAL 10 23 ASP 11 24 GLN 12 25 SER 13 26 LYS 14 27 ASN 15 28 GLU 16 29 VAL 17 30 LYS 18 31 ALA 19 32 GLN 20 33 ASN 21 34 TYR 22 35 PHE 23 36 GLY 24 37 SER 25 38 ILE 26 39 ASN 27 40 ILE 28 41 SER 29 42 ASN 30 43 ALA 31 44 ASN 32 45 VAL 33 46 LYS 34 47 GLN 35 48 ALA 36 49 VAL 37 50 TRP 38 51 PHE 39 52 ALA 40 53 MET 41 54 LYS 42 55 GLU 43 56 TYR 44 57 ASN 45 58 LYS 46 59 GLU 47 60 SER 48 61 GLU 49 62 ASP 50 63 LYS 51 64 TYR 52 65 VAL 53 66 PHE 54 67 LEU 55 68 VAL 56 69 ASP 57 70 LYS 58 71 ILE 59 72 LEU 60 73 HIS 61 74 ALA 62 75 LYS 63 76 LEU 64 77 GLN 65 78 ILE 66 79 THR 67 80 ASP 68 81 ARG 69 82 MET 70 83 GLU 71 84 TYR 72 85 GLN 73 86 ILE 74 87 ASP 75 88 VAL 76 89 GLN 77 90 ILE 78 91 SER 79 92 ARG 80 93 SER 81 94 ASN 82 95 CYS 83 96 LYS 84 97 LYS 85 98 PRO 86 99 LEU 87 100 ASN 88 101 ASN 89 102 THR 90 103 GLU 91 104 ASN 92 105 CYS 93 106 ILE 94 107 PRO 95 108 GLN 96 109 LYS 97 110 LYS 98 111 PRO 99 112 GLU 100 113 LEU 101 114 GLU 102 115 LYS 103 116 LYS 104 117 MET 105 118 SER 106 119 CYS 107 120 SER 108 121 PHE 109 122 LEU 110 123 VAL 111 124 GLY 112 125 ALA 113 126 LEU 114 127 PRO 115 128 TRP 116 129 ASN 117 130 GLY 118 131 GLU 119 132 PHE 120 133 ASN 121 134 LEU 122 135 LEU 123 136 SER 124 137 LYS 125 138 GLU 126 139 CYS 127 140 LYS 128 141 ASP 129 142 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'purified from the natural source' . Mus musculus . . 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 $entity_1 1.1 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'CcpNmr Analysis' _Version . loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH 6.5 / 250 mM NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.25 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'For assignments, 25 mM MES, 250 mM NaCl, 1 mM EDTA, pH 6' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 250 . mM pH 6 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details 'pH 7.5 / 173 mM NaCl' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.173 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details 'pH 7.5 / no salt' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 carbons' ppm 0 external direct . . . 1 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 nitrogen ppm 0 external indirect . . . . 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_2 stop_ loop_ _Experiment_label '3D HNCO' '3D HNCACB' '3D HNCA' '3D HN(CO)CACB' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_4 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'globular CRES' _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 31 18 ALA H H 7.946 0.05 . 2 31 18 ALA CA C 55.512 0.05 . 3 31 18 ALA N N 122.763 0.05 . 4 32 19 GLN H H 8.353 0.05 . 5 32 19 GLN CA C 56.045 0.05 . 6 32 19 GLN N N 115.530 0.05 . 7 33 20 ASN H H 8.474 0.05 . 8 33 20 ASN CA C 53.148 0.05 . 9 33 20 ASN CB C 39.303 0.05 . 10 33 20 ASN N N 120.273 0.05 . 11 34 21 TYR H H 8.091 0.05 . 12 34 21 TYR CA C 58.015 0.05 . 13 34 21 TYR CB C 39.303 0.05 . 14 34 21 TYR N N 120.665 0.05 . 15 35 22 PHE H H 8.281 0.05 . 16 35 22 PHE CA C 57.756 0.05 . 17 35 22 PHE CB C 39.998 0.05 . 18 35 22 PHE N N 122.619 0.05 . 19 36 23 GLY H H 8.082 0.05 . 20 36 23 GLY CA C 45.498 0.05 . 21 36 23 GLY N N 109.489 0.05 . 22 37 24 SER H H 8.333 0.05 . 23 37 24 SER CA C 58.872 0.05 . 24 37 24 SER CB C 63.999 0.05 . 25 37 24 SER N N 116.013 0.05 . 26 38 25 ILE H H 8.268 0.05 . 27 38 25 ILE CA C 59.560 0.05 . 28 38 25 ILE CB C 40.295 0.05 . 29 38 25 ILE N N 122.355 0.05 . 30 39 26 ASN H H 8.360 0.05 . 31 39 26 ASN CA C 53.940 0.05 . 32 39 26 ASN CB C 39.231 0.05 . 33 39 26 ASN N N 123.138 0.05 . 34 40 27 ILE H H 8.127 0.05 . 35 40 27 ILE CA C 63.201 0.05 . 36 40 27 ILE CB C 39.166 0.05 . 37 40 27 ILE N N 119.203 0.05 . 38 41 28 SER H H 8.245 0.05 . 39 41 28 SER CA C 58.203 0.05 . 40 41 28 SER CB C 63.777 0.05 . 41 41 28 SER N N 114.478 0.05 . 42 42 29 ASN H H 7.837 0.05 . 43 42 29 ASN CA C 54.639 0.05 . 44 42 29 ASN CB C 40.427 0.05 . 45 42 29 ASN N N 121.984 0.05 . 46 43 30 ALA H H 9.051 0.05 . 47 43 30 ALA CA C 55.702 0.05 . 48 43 30 ALA N N 128.255 0.05 . 49 44 31 ASN H H 8.286 0.05 . 50 44 31 ASN CA C 56.020 0.05 . 51 44 31 ASN CB C 38.200 0.05 . 52 44 31 ASN N N 115.894 0.05 . 53 45 32 VAL H H 7.503 0.05 . 54 45 32 VAL CA C 66.400 0.05 . 55 45 32 VAL CB C 31.100 0.05 . 56 45 32 VAL N N 121.046 0.05 . 57 46 33 LYS H H 7.716 0.05 . 58 46 33 LYS CA C 60.500 0.05 . 59 46 33 LYS CB C 31.510 0.05 . 60 46 33 LYS N N 117.848 0.05 . 61 47 34 GLN H H 7.861 0.05 . 62 47 34 GLN CA C 58.860 0.05 . 63 47 34 GLN CB C 28.600 0.05 . 64 47 34 GLN N N 118.064 0.05 . 65 48 35 ALA H H 7.872 0.05 . 66 48 35 ALA CA C 55.500 0.05 . 67 48 35 ALA CB C 17.375 0.05 . 68 48 35 ALA N N 122.791 0.05 . 69 49 36 VAL H H 8.197 0.05 . 70 49 36 VAL CA C 67.001 0.05 . 71 49 36 VAL CB C 31.700 0.05 . 72 49 36 VAL N N 117.400 0.05 . 73 50 37 TRP H H 8.162 0.05 . 74 50 37 TRP CA C 61.440 0.05 . 75 50 37 TRP CB C 28.501 0.05 . 76 50 37 TRP N N 121.603 0.05 . 77 51 38 PHE H H 8.296 0.05 . 78 51 38 PHE CA C 61.900 0.05 . 79 51 38 PHE CB C 39.000 0.05 . 80 51 38 PHE N N 119.401 0.05 . 81 52 39 ALA H H 8.454 0.05 . 82 52 39 ALA CA C 55.250 0.05 . 83 52 39 ALA CB C 17.370 0.05 . 84 52 39 ALA N N 122.245 0.05 . 85 53 40 MET H H 8.304 0.05 . 86 53 40 MET CA C 55.250 0.05 . 87 53 40 MET CB C 29.250 0.05 . 88 53 40 MET N N 113.837 0.05 . 89 54 41 LYS H H 7.609 0.05 . 90 54 41 LYS CA C 59.750 0.05 . 91 54 41 LYS CB C 31.500 0.05 . 92 54 41 LYS N N 123.171 0.05 . 93 55 42 GLU H H 7.572 0.05 . 94 55 42 GLU CA C 58.651 0.05 . 95 55 42 GLU CB C 29.250 0.05 . 96 55 42 GLU N N 119.599 0.05 . 97 56 43 TYR H H 9.236 0.05 . 98 56 43 TYR CA C 62.605 0.05 . 99 56 43 TYR CB C 39.250 0.05 . 100 56 43 TYR N N 121.494 0.05 . 101 57 44 ASN H H 8.678 0.05 . 102 57 44 ASN CA C 56.750 0.05 . 103 57 44 ASN CB C 39.250 0.05 . 104 57 44 ASN N N 115.393 0.05 . 105 58 45 LYS H H 7.599 0.05 . 106 58 45 LYS CA C 59.400 0.05 . 107 58 45 LYS CB C 32.600 0.05 . 108 58 45 LYS N N 119.157 0.05 . 109 59 46 GLU H H 7.332 0.05 . 110 59 46 GLU CA C 56.700 0.05 . 111 59 46 GLU CB C 30.500 0.05 . 112 59 46 GLU N N 115.325 0.05 . 113 60 47 SER H H 7.328 0.05 . 114 60 47 SER CA C 58.200 0.05 . 115 60 47 SER CB C 63.230 0.05 . 116 60 47 SER N N 115.670 0.05 . 117 61 48 GLU H H 8.833 0.05 . 118 61 48 GLU CA C 56.600 0.05 . 119 61 48 GLU CB C 29.389 0.05 . 120 61 48 GLU N N 123.585 0.05 . 121 62 49 ASP H H 8.175 0.05 . 122 62 49 ASP CA C 55.200 0.05 . 123 62 49 ASP CB C 44.100 0.05 . 124 62 49 ASP N N 123.207 0.05 . 125 63 50 LYS H H 8.547 0.05 . 126 63 50 LYS CA C 57.500 0.05 . 127 63 50 LYS CB C 33.000 0.05 . 128 63 50 LYS N N 122.523 0.05 . 129 64 51 TYR H H 9.287 0.05 . 130 64 51 TYR CA C 57.319 0.05 . 131 64 51 TYR CB C 40.800 0.05 . 132 64 51 TYR N N 118.067 0.05 . 133 65 52 VAL H H 8.342 0.05 . 134 65 52 VAL CA C 63.200 0.05 . 135 65 52 VAL CB C 34.000 0.05 . 136 65 52 VAL N N 118.642 0.05 . 137 66 53 PHE H H 9.962 0.05 . 138 66 53 PHE CA C 58.200 0.05 . 139 66 53 PHE CB C 41.832 0.05 . 140 66 53 PHE N N 130.428 0.05 . 141 67 54 LEU H H 9.105 0.05 . 142 67 54 LEU CA C 52.765 0.05 . 143 67 54 LEU CB C 44.600 0.05 . 144 67 54 LEU N N 120.814 0.05 . 145 68 55 VAL H H 8.666 0.05 . 146 68 55 VAL CA C 64.000 0.05 . 147 68 55 VAL CB C 32.400 0.05 . 148 68 55 VAL N N 119.865 0.05 . 149 69 56 ASP H H 9.384 0.05 . 150 69 56 ASP CA C 55.900 0.05 . 151 69 56 ASP CB C 42.380 0.05 . 152 69 56 ASP N N 130.115 0.05 . 153 70 57 LYS H H 7.486 0.05 . 154 70 57 LYS CA C 55.550 0.05 . 155 70 57 LYS CB C 36.129 0.05 . 156 70 57 LYS N N 114.032 0.05 . 157 71 58 ILE H H 8.901 0.05 . 158 71 58 ILE CA C 62.300 0.05 . 159 71 58 ILE CB C 38.000 0.05 . 160 71 58 ILE N N 124.940 0.05 . 161 72 59 LEU H H 8.941 0.05 . 162 72 59 LEU CA C 56.760 0.05 . 163 72 59 LEU CB C 42.500 0.05 . 164 72 59 LEU N N 127.129 0.05 . 165 73 60 HIS H H 7.724 0.05 . 166 73 60 HIS CA C 55.814 0.05 . 167 73 60 HIS CB C 32.378 0.05 . 168 73 60 HIS N N 113.225 0.05 . 169 74 61 ALA H H 8.782 0.05 . 170 74 61 ALA CA C 51.979 0.05 . 171 74 61 ALA CB C 23.300 0.05 . 172 74 61 ALA N N 124.574 0.05 . 173 75 62 LYS H H 8.850 0.05 . 174 75 62 LYS CA C 55.099 0.05 . 175 75 62 LYS CB C 37.000 0.05 . 176 75 62 LYS N N 120.704 0.05 . 177 76 63 LEU H H 8.746 0.05 . 178 76 63 LEU CA C 53.666 0.05 . 179 76 63 LEU CB C 45.582 0.05 . 180 76 63 LEU N N 124.215 0.05 . 181 77 64 GLN H H 9.033 0.05 . 182 77 64 GLN CA C 54.440 0.05 . 183 77 64 GLN CB C 31.900 0.05 . 184 77 64 GLN N N 125.939 0.05 . 185 78 65 ILE H H 8.802 0.05 . 186 78 65 ILE CA C 60.922 0.05 . 187 78 65 ILE CB C 38.837 0.05 . 188 78 65 ILE N N 124.976 0.05 . 189 79 66 THR H H 8.606 0.05 . 190 79 66 THR CA C 60.250 0.05 . 191 79 66 THR CB C 67.900 0.05 . 192 79 66 THR N N 122.119 0.05 . 193 80 67 ASP H H 9.172 0.05 . 194 80 67 ASP CA C 54.870 0.05 . 195 80 67 ASP CB C 39.600 0.05 . 196 80 67 ASP N N 123.883 0.05 . 197 81 68 ARG H H 7.978 0.05 . 198 81 68 ARG CA C 53.830 0.05 . 199 81 68 ARG CB C 31.750 0.05 . 200 81 68 ARG N N 116.139 0.05 . 201 82 69 MET H H 8.504 0.05 . 202 82 69 MET CA C 55.800 0.05 . 203 82 69 MET CB C 33.780 0.05 . 204 82 69 MET N N 118.301 0.05 . 205 83 70 GLU H H 8.648 0.05 . 206 83 70 GLU CA C 55.450 0.05 . 207 83 70 GLU CB C 32.000 0.05 . 208 83 70 GLU N N 122.959 0.05 . 209 84 71 TYR H H 9.592 0.05 . 210 84 71 TYR CA C 56.760 0.05 . 211 84 71 TYR CB C 41.100 0.05 . 212 84 71 TYR N N 122.887 0.05 . 213 85 72 GLN H H 9.179 0.05 . 214 85 72 GLN CA C 55.200 0.05 . 215 85 72 GLN CB C 29.876 0.05 . 216 85 72 GLN N N 125.770 0.05 . 217 86 73 ILE H H 9.409 0.05 . 218 86 73 ILE CA C 60.400 0.05 . 219 86 73 ILE CB C 42.400 0.05 . 220 86 73 ILE N N 127.486 0.05 . 221 87 74 ASP H H 8.810 0.05 . 222 87 74 ASP CA C 53.000 0.05 . 223 87 74 ASP CB C 42.850 0.05 . 224 87 74 ASP N N 127.880 0.05 . 225 88 75 VAL H H 9.153 0.05 . 226 88 75 VAL CA C 59.590 0.05 . 227 88 75 VAL CB C 36.200 0.05 . 228 88 75 VAL N N 118.370 0.05 . 229 89 76 GLN H H 8.907 0.05 . 230 89 76 GLN CA C 54.890 0.05 . 231 89 76 GLN CB C 31.750 0.05 . 232 89 76 GLN N N 124.145 0.05 . 233 90 77 ILE H H 9.335 0.05 . 234 90 77 ILE CA C 59.750 0.05 . 235 90 77 ILE CB C 42.380 0.05 . 236 90 77 ILE N N 121.236 0.05 . 237 91 78 SER H H 9.020 0.05 . 238 91 78 SER CA C 57.500 0.05 . 239 91 78 SER CB C 66.500 0.05 . 240 91 78 SER N N 114.339 0.05 . 241 92 79 ARG H H 8.704 0.05 . 242 92 79 ARG CA C 58.400 0.05 . 243 92 79 ARG CB C 32.150 0.05 . 244 92 79 ARG N N 125.209 0.05 . 245 93 80 SER H H 8.405 0.05 . 246 93 80 SER CA C 58.625 0.05 . 247 93 80 SER CB C 67.600 0.05 . 248 93 80 SER N N 124.841 0.05 . 249 94 81 ASN H H 9.048 0.05 . 250 94 81 ASN CA C 53.250 0.05 . 251 94 81 ASN CB C 38.000 0.05 . 252 94 81 ASN N N 115.414 0.05 . 253 95 82 CYS H H 8.826 0.05 . 254 95 82 CYS CA C 54.405 0.05 . 255 95 82 CYS CB C 44.500 0.05 . 256 95 82 CYS N N 119.961 0.05 . 257 96 83 LYS H H 8.698 0.05 . 258 96 83 LYS CA C 56.050 0.05 . 259 96 83 LYS CB C 33.630 0.05 . 260 96 83 LYS N N 125.945 0.05 . 261 97 84 LYS H H 7.944 0.05 . 262 97 84 LYS CA C 55.600 0.05 . 263 97 84 LYS CB C 32.300 0.05 . 264 97 84 LYS N N 121.261 0.05 . 265 99 86 LEU H H 8.477 0.05 . 266 99 86 LEU CA C 55.750 0.05 . 267 99 86 LEU CB C 43.630 0.05 . 268 99 86 LEU N N 123.033 0.05 . 269 100 87 ASN H H 8.984 0.05 . 270 100 87 ASN CA C 53.700 0.05 . 271 100 87 ASN CB C 39.250 0.05 . 272 100 87 ASN N N 122.317 0.05 . 273 101 88 ASN H H 8.150 0.05 . 274 101 88 ASN CA C 53.800 0.05 . 275 101 88 ASN CB C 38.750 0.05 . 276 101 88 ASN N N 117.745 0.05 . 277 102 89 THR H H 8.438 0.05 . 278 102 89 THR CA C 61.800 0.05 . 279 102 89 THR CB C 69.250 0.05 . 280 102 89 THR N N 112.419 0.05 . 281 103 90 GLU H H 8.416 0.05 . 282 103 90 GLU CA C 58.450 0.05 . 283 103 90 GLU CB C 29.900 0.05 . 284 103 90 GLU N N 122.792 0.05 . 285 104 91 ASN H H 8.609 0.05 . 286 104 91 ASN CA C 53.000 0.05 . 287 104 91 ASN CB C 38.600 0.05 . 288 104 91 ASN N N 117.272 0.05 . 289 105 92 CYS H H 7.828 0.05 . 290 105 92 CYS CA C 55.600 0.05 . 291 105 92 CYS CB C 41.800 0.05 . 292 105 92 CYS N N 120.999 0.05 . 293 106 93 ILE H H 8.535 0.05 . 294 106 93 ILE CA C 58.800 0.05 . 295 106 93 ILE CB C 39.800 0.05 . 296 106 93 ILE N N 118.783 0.05 . 297 108 95 GLN H H 8.380 0.05 . 298 108 95 GLN CA C 56.500 0.05 . 299 108 95 GLN CB C 29.850 0.05 . 300 108 95 GLN N N 121.878 0.05 . 301 109 96 LYS H H 8.377 0.05 . 302 109 96 LYS CA C 55.200 0.05 . 303 109 96 LYS CB C 33.600 0.05 . 304 109 96 LYS N N 122.861 0.05 . 305 110 97 LYS H H 8.110 0.05 . 306 110 97 LYS CA C 54.700 0.05 . 307 110 97 LYS CB C 32.063 0.05 . 308 110 97 LYS N N 124.166 0.05 . 309 112 99 GLU H H 9.628 0.05 . 310 112 99 GLU CA C 58.630 0.05 . 311 112 99 GLU CB C 28.600 0.05 . 312 112 99 GLU N N 115.626 0.05 . 313 113 100 LEU H H 7.611 0.05 . 314 113 100 LEU CA C 53.720 0.05 . 315 113 100 LEU CB C 45.400 0.05 . 316 113 100 LEU N N 117.968 0.05 . 317 114 101 GLU H H 7.392 0.05 . 318 114 101 GLU CA C 57.450 0.05 . 319 114 101 GLU CB C 30.000 0.05 . 320 114 101 GLU N N 123.169 0.05 . 321 115 102 LYS H H 8.722 0.05 . 322 115 102 LYS CA C 57.700 0.05 . 323 115 102 LYS CB C 35.400 0.05 . 324 115 102 LYS N N 125.817 0.05 . 325 116 103 LYS H H 8.863 0.05 . 326 116 103 LYS CA C 54.800 0.05 . 327 116 103 LYS CB C 35.740 0.05 . 328 116 103 LYS N N 127.644 0.05 . 329 117 104 MET H H 8.999 0.05 . 330 117 104 MET CA C 54.700 0.05 . 331 117 104 MET CB C 38.700 0.05 . 332 117 104 MET N N 118.004 0.05 . 333 118 105 SER H H 9.153 0.05 . 334 118 105 SER CA C 56.800 0.05 . 335 118 105 SER CB C 64.301 0.05 . 336 118 105 SER N N 116.747 0.05 . 337 119 106 CYS H H 9.152 0.05 . 338 119 106 CYS CA C 55.502 0.05 . 339 119 106 CYS CB C 49.299 0.05 . 340 119 106 CYS N N 123.122 0.05 . 341 120 107 SER H H 8.701 0.05 . 342 120 107 SER CA C 57.002 0.05 . 343 120 107 SER CB C 64.498 0.05 . 344 120 107 SER N N 117.888 0.05 . 345 121 108 PHE H H 9.543 0.05 . 346 121 108 PHE CA C 54.852 0.05 . 347 121 108 PHE CB C 42.400 0.05 . 348 121 108 PHE N N 126.473 0.05 . 349 122 109 LEU H H 8.574 0.05 . 350 122 109 LEU CA C 54.301 0.05 . 351 122 109 LEU CB C 43.998 0.05 . 352 122 109 LEU N N 125.076 0.05 . 353 123 110 VAL H H 9.714 0.05 . 354 123 110 VAL CA C 60.999 0.05 . 355 123 110 VAL CB C 35.500 0.05 . 356 123 110 VAL N N 127.998 0.05 . 357 124 111 GLY H H 9.575 0.05 . 358 124 111 GLY CA C 44.635 0.05 . 359 124 111 GLY N N 114.886 0.05 . 360 125 112 ALA H H 9.050 0.05 . 361 125 112 ALA CA C 51.100 0.05 . 362 125 112 ALA CB C 23.002 0.05 . 363 125 112 ALA N N 125.553 0.05 . 364 126 113 LEU H H 8.118 0.05 . 365 126 113 LEU CA C 51.503 0.05 . 366 126 113 LEU CB C 40.297 0.05 . 367 126 113 LEU N N 122.618 0.05 . 368 128 115 TRP H H 6.874 0.05 . 369 128 115 TRP CA C 58.334 0.05 . 370 128 115 TRP CB C 27.500 0.05 . 371 128 115 TRP N N 113.234 0.05 . 372 129 116 ASN H H 6.990 0.05 . 373 129 116 ASN CA C 52.503 0.05 . 374 129 116 ASN CB C 39.400 0.05 . 375 129 116 ASN N N 116.439 0.05 . 376 130 117 GLY H H 7.843 0.05 . 377 130 117 GLY CA C 46.300 0.05 . 378 130 117 GLY N N 108.572 0.05 . 379 131 118 GLU H H 7.200 0.05 . 380 131 118 GLU CA C 56.051 0.05 . 381 131 118 GLU CB C 31.130 0.05 . 382 131 118 GLU N N 118.866 0.05 . 383 132 119 PHE H H 7.890 0.05 . 384 132 119 PHE CA C 56.360 0.05 . 385 132 119 PHE CB C 41.127 0.05 . 386 132 119 PHE N N 121.312 0.05 . 387 133 120 ASN H H 8.852 0.05 . 388 133 120 ASN CA C 52.761 0.05 . 389 133 120 ASN CB C 42.374 0.05 . 390 133 120 ASN N N 116.353 0.05 . 391 134 121 LEU H H 9.690 0.05 . 392 134 121 LEU CA C 55.338 0.05 . 393 134 121 LEU CB C 41.754 0.05 . 394 134 121 LEU N N 127.030 0.05 . 395 135 122 LEU H H 9.172 0.05 . 396 135 122 LEU CA C 56.744 0.05 . 397 135 122 LEU CB C 42.199 0.05 . 398 135 122 LEU N N 129.963 0.05 . 399 136 123 SER H H 7.858 0.05 . 400 136 123 SER CA C 58.328 0.05 . 401 136 123 SER CB C 64.799 0.05 . 402 136 123 SER N N 110.512 0.05 . 403 137 124 LYS H H 8.735 0.05 . 404 137 124 LYS CA C 55.100 0.05 . 405 137 124 LYS CB C 36.124 0.05 . 406 137 124 LYS N N 120.476 0.05 . 407 138 125 GLU H H 7.961 0.05 . 408 138 125 GLU CA C 56.499 0.05 . 409 138 125 GLU CB C 32.360 0.05 . 410 138 125 GLU N N 121.941 0.05 . 411 139 126 CYS H H 9.020 0.05 . 412 139 126 CYS CA C 55.999 0.05 . 413 139 126 CYS CB C 49.500 0.05 . 414 139 126 CYS N N 124.659 0.05 . 415 140 127 LYS H H 8.965 0.05 . 416 140 127 LYS CA C 54.700 0.05 . 417 140 127 LYS CB C 36.100 0.05 . 418 140 127 LYS N N 121.137 0.05 . 419 141 128 ASP H H 8.533 0.05 . 420 141 128 ASP CA C 56.113 0.05 . 421 141 128 ASP CB C 41.128 0.05 . 422 141 128 ASP N N 122.772 0.05 . 423 142 129 VAL H H 7.773 0.05 . 424 142 129 VAL CA C 63.763 0.05 . 425 142 129 VAL CB C 33.319 0.05 . 426 142 129 VAL N N 124.076 0.05 . stop_ save_