data_50275 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Maturation of the Functional Mouse CRES Amyloid from Globular Form ; _BMRB_accession_number 50275 _BMRB_flat_file_name bmr50275.str _Entry_type original _Submission_date 2020-05-15 _Accession_date 2020-05-15 _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 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 "13C chemical shifts" 534 "15N chemical shifts" 116 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 50273 'globular CRES, in solution state' stop_ _Original_release_date 2020-05-15 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 . 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 disulfide 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 Mouse 10090 Eukaryota Metazoa Mus musculus 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_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pGEX-cs stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solid _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 50 mM '[U-100% 13C; U-100% 15N]' HEPES 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' 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_ save_software_3 _Saveframe_category software _Name CS-Rosetta _Version . loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model DD2 _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_DARR_1 _Saveframe_category NMR_applied_experiment _Experiment_name DARR _Sample_label $sample_1 save_ save_NCACX_2 _Saveframe_category NMR_applied_experiment _Experiment_name NCACX _Sample_label $sample_1 save_ save_NCOCX_3 _Saveframe_category NMR_applied_experiment _Experiment_name NCOCX _Sample_label $sample_1 save_ save_CANcoCX_DARR_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'CANcoCX DARR' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.4 . pH pressure 1 . atm temperature 277 . 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 carbon' ppm 40.48 external direct . . . 1 DSS N 15 'methyl carbon' ppm 40.48 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 stop_ loop_ _Experiment_label DARR NCACX NCOCX 'CANcoCX DARR' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _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 27 14 ASN C C 174.600 . . 2 27 14 ASN CA C 53.300 . . 3 27 14 ASN CB C 38.597 . . 4 27 14 ASN CG C 177.198 . . 5 27 14 ASN N N 122.000 . . 6 28 15 GLU C C 177.341 . . 7 28 15 GLU CA C 56.199 . . 8 28 15 GLU CB C 31.299 . . 9 28 15 GLU CG C 33.598 . . 10 28 15 GLU CD C 183.602 . . 11 28 15 GLU N N 124.400 . . 12 29 16 VAL C C 177.297 . . 13 29 16 VAL CA C 66.902 . . 14 29 16 VAL CB C 31.895 . . 15 29 16 VAL CG1 C 21.800 . . 16 29 16 VAL CG2 C 23.094 . . 17 29 16 VAL N N 117.800 . . 18 30 17 LYS C C 174.302 . . 19 30 17 LYS CA C 59.706 . . 20 30 17 LYS CB C 32.093 . . 21 30 17 LYS N N 119.200 . . 22 31 18 ALA C C 174.420 . . 23 31 18 ALA CA C 55.300 . . 24 31 18 ALA CB C 17.494 . . 25 31 18 ALA N N 123.400 . . 26 32 19 GLN C C 174.851 . . 27 32 19 GLN CA C 59.203 . . 28 32 19 GLN CB C 25.495 . . 29 32 19 GLN CG C 36.603 . . 30 32 19 GLN CD C 179.598 . . 31 32 19 GLN N N 120.800 . . 32 33 20 ASN C C 175.297 . . 33 33 20 ASN CA C 54.296 . . 34 33 20 ASN CB C 44.351 . . 35 33 20 ASN CG C 177.003 . . 36 33 20 ASN N N 123.100 . . 37 34 21 TYR C C 175.201 . . 38 34 21 TYR CA C 58.103 . . 39 34 21 TYR CB C 43.497 . . 40 34 21 TYR N N 121.000 . . 41 35 22 PHE C C 175.996 . . 42 35 22 PHE CA C 57.102 . . 43 35 22 PHE CB C 39.799 . . 44 35 22 PHE N N 121.240 . . 45 36 23 GLY C C 172.803 . . 46 36 23 GLY CA C 44.299 . . 47 36 23 GLY N N 113.930 . . 48 37 24 SER C C 173.402 . . 49 37 24 SER CA C 57.001 . . 50 37 24 SER CB C 66.302 . . 51 37 24 SER N N 124.400 . . 52 38 25 ILE C C 175.301 . . 53 38 25 ILE CA C 60.402 . . 54 38 25 ILE CB C 41.695 . . 55 38 25 ILE CG1 C 26.846 . . 56 38 25 ILE CG2 C 18.401 . . 57 38 25 ILE CD1 C 14.196 . . 58 38 25 ILE N N 126.700 . . 59 39 26 ASN C C 174.558 . . 60 39 26 ASN CA C 52.799 . . 61 39 26 ASN CB C 42.797 . . 62 39 26 ASN CG C 177.450 . . 63 39 26 ASN N N 124.300 . . 64 40 27 ILE C C 175.252 . . 65 40 27 ILE CA C 60.237 . . 66 40 27 ILE CB C 40.898 . . 67 40 27 ILE CG1 C 27.704 . . 68 40 27 ILE CG2 C 18.798 . . 69 40 27 ILE CD1 C 14.803 . . 70 40 27 ILE N N 125.700 . . 71 41 28 SER C C 174.206 . . 72 41 28 SER CA C 57.197 . . 73 41 28 SER CB C 64.796 . . 74 41 28 SER N N 120.400 . . 75 42 29 ASN C C 174.599 . . 76 42 29 ASN CA C 54.800 . . 77 42 29 ASN CB C 39.032 . . 78 42 29 ASN CG C 176.296 . . 79 42 29 ASN N N 120.500 . . 80 43 30 ALA C C 174.101 . . 81 43 30 ALA CA C 51.900 . . 82 43 30 ALA CB C 19.295 . . 83 43 30 ALA N N 123.000 . . 84 44 31 ASN C C 174.900 . . 85 44 31 ASN CA C 56.300 . . 86 44 31 ASN CB C 36.702 . . 87 44 31 ASN CG C 176.300 . . 88 44 31 ASN N N 123.130 . . 89 45 32 VAL C C 174.983 . . 90 45 32 VAL CA C 61.530 . . 91 45 32 VAL CB C 36.101 . . 92 45 32 VAL CG1 C 21.203 . . 93 45 32 VAL CG2 C 22.000 . . 94 45 32 VAL N N 121.700 . . 95 46 33 LYS C C 175.979 . . 96 46 33 LYS CA C 56.200 . . 97 46 33 LYS CB C 33.603 . . 98 46 33 LYS CG C 25.703 . . 99 46 33 LYS CD C 29.603 . . 100 46 33 LYS CE C 42.401 . . 101 46 33 LYS N N 125.500 . . 102 47 34 GLN C C 174.953 . . 103 47 34 GLN CA C 55.703 . . 104 47 34 GLN CB C 30.299 . . 105 47 34 GLN CG C 34.348 . . 106 47 34 GLN CD C 179.251 . . 107 47 34 GLN N N 123.000 . . 108 48 35 ALA C C 175.507 . . 109 48 35 ALA CA C 51.101 . . 110 48 35 ALA CB C 23.205 . . 111 48 35 ALA N N 124.800 . . 112 49 36 VAL C C 175.203 . . 113 49 36 VAL CA C 60.605 . . 114 49 36 VAL CB C 35.599 . . 115 49 36 VAL CG1 C 22.200 . . 116 49 36 VAL CG2 C 21.699 . . 117 49 36 VAL N N 120.700 . . 118 50 37 TRP C C 175.798 . . 119 50 37 TRP CA C 56.803 . . 120 50 37 TRP CB C 30.795 . . 121 50 37 TRP N N 119.700 . . 122 51 38 PHE C C 174.897 . . 123 51 38 PHE CA C 54.398 . . 124 51 38 PHE CB C 43.946 . . 125 51 38 PHE CD2 C 133.501 . . 126 51 38 PHE CE1 C 131.751 . . 127 51 38 PHE N N 126.700 . . 128 52 39 ALA C C 175.500 . . 129 52 39 ALA CA C 51.006 . . 130 52 39 ALA CB C 23.197 . . 131 52 39 ALA N N 128.700 . . 132 53 40 MET C C 174.255 . . 133 53 40 MET CA C 55.200 . . 134 53 40 MET CB C 38.009 . . 135 53 40 MET CG C 29.103 . . 136 53 40 MET CE C 17.408 . . 137 53 40 MET N N 122.593 . . 138 54 41 LYS C C 175.500 . . 139 54 41 LYS CA C 55.501 . . 140 54 41 LYS CB C 34.500 . . 141 54 41 LYS CG C 25.597 . . 142 54 41 LYS CD C 28.398 . . 143 54 41 LYS CE C 43.502 . . 144 54 41 LYS N N 127.130 . . 145 55 42 GLU C C 175.756 . . 146 55 42 GLU CA C 54.402 . . 147 55 42 GLU CB C 28.402 . . 148 55 42 GLU CG C 36.240 . . 149 55 42 GLU CD C 184.249 . . 150 55 42 GLU N N 125.100 . . 151 56 43 TYR C C 174.503 . . 152 56 43 TYR CA C 56.796 . . 153 56 43 TYR CB C 39.594 . . 154 56 43 TYR CG C 131.303 . . 155 56 43 TYR CD1 C 139.340 . . 156 56 43 TYR N N 119.230 . . 157 57 44 ASN C C 175.300 . . 158 57 44 ASN CA C 54.301 . . 159 57 44 ASN CB C 37.403 . . 160 57 44 ASN CG C 176.600 . . 161 57 44 ASN N N 125.000 . . 162 58 45 LYS C C 175.902 . . 163 58 45 LYS CA C 55.601 . . 164 58 45 LYS CB C 33.803 . . 165 58 45 LYS CG C 25.592 . . 166 58 45 LYS CD C 29.996 . . 167 58 45 LYS CE C 41.403 . . 168 58 45 LYS N N 125.200 . . 169 59 46 GLU C C 176.201 . . 170 59 46 GLU CA C 56.004 . . 171 59 46 GLU CB C 30.000 . . 172 59 46 GLU CG C 36.299 . . 173 59 46 GLU CD C 181.840 . . 174 59 46 GLU N N 124.600 . . 175 60 47 SER C C 175.810 . . 176 60 47 SER CA C 58.498 . . 177 60 47 SER CB C 63.694 . . 178 60 47 SER N N 117.300 . . 179 61 48 GLU C C 175.700 . . 180 61 48 GLU CA C 54.900 . . 181 61 48 GLU CB C 32.400 . . 182 61 48 GLU CG C 36.593 . . 183 61 48 GLU CD C 182.602 . . 184 61 48 GLU N N 123.500 . . 185 62 49 ASP C C 173.931 . . 186 62 49 ASP CA C 56.700 . . 187 62 49 ASP CB C 43.006 . . 188 62 49 ASP CG C 178.044 . . 189 62 49 ASP N N 126.800 . . 190 63 50 LYS C C 174.400 . . 191 63 50 LYS CA C 55.199 . . 192 63 50 LYS CB C 33.240 . . 193 63 50 LYS CG C 25.499 . . 194 63 50 LYS CD C 29.400 . . 195 63 50 LYS CE C 43.103 . . 196 63 50 LYS N N 124.800 . . 197 64 51 TYR C C 175.606 . . 198 64 51 TYR CA C 57.296 . . 199 64 51 TYR CB C 42.793 . . 200 64 51 TYR CG C 130.308 . . 201 64 51 TYR N N 117.900 . . 202 65 52 VAL C C 175.301 . . 203 65 52 VAL CA C 60.601 . . 204 65 52 VAL CB C 35.800 . . 205 65 52 VAL CG1 C 22.202 . . 206 65 52 VAL CG2 C 21.401 . . 207 65 52 VAL N N 122.500 . . 208 66 53 PHE C C 173.503 . . 209 66 53 PHE CA C 56.501 . . 210 66 53 PHE CB C 45.005 . . 211 66 53 PHE CG C 139.301 . . 212 66 53 PHE CD2 C 132.795 . . 213 66 53 PHE N N 120.100 . . 214 67 54 LEU C C 175.499 . . 215 67 54 LEU CA C 53.402 . . 216 67 54 LEU CB C 43.101 . . 217 67 54 LEU CG C 27.661 . . 218 67 54 LEU CD1 C 26.193 . . 219 67 54 LEU CD2 C 24.650 . . 220 67 54 LEU N N 126.200 . . 221 68 55 VAL C C 174.801 . . 222 68 55 VAL CA C 61.098 . . 223 68 55 VAL CB C 35.995 . . 224 68 55 VAL CG1 C 21.999 . . 225 68 55 VAL CG2 C 21.298 . . 226 68 55 VAL N N 120.060 . . 227 69 56 ASP C C 175.146 . . 228 69 56 ASP CA C 53.900 . . 229 69 56 ASP CB C 44.903 . . 230 69 56 ASP CG C 180.003 . . 231 69 56 ASP N N 126.600 . . 232 70 57 LYS C C 174.705 . . 233 70 57 LYS CA C 54.398 . . 234 70 57 LYS CB C 36.199 . . 235 70 57 LYS CG C 24.696 . . 236 70 57 LYS CD C 29.653 . . 237 70 57 LYS CE C 41.907 . . 238 70 57 LYS N N 120.600 . . 239 71 58 ILE C C 173.732 . . 240 71 58 ILE CA C 60.500 . . 241 71 58 ILE CB C 42.801 . . 242 71 58 ILE CG1 C 28.300 . . 243 71 58 ILE CG2 C 18.207 . . 244 71 58 ILE CD1 C 14.702 . . 245 71 58 ILE N N 127.260 . . 246 72 59 LEU C C 175.297 . . 247 72 59 LEU CA C 53.503 . . 248 72 59 LEU CB C 42.897 . . 249 72 59 LEU CG C 30.544 . . 250 72 59 LEU CD1 C 27.899 . . 251 72 59 LEU CD2 C 26.300 . . 252 72 59 LEU N N 128.000 . . 253 73 60 HIS C C 176.601 . . 254 73 60 HIS CA C 56.104 . . 255 73 60 HIS CB C 32.598 . . 256 73 60 HIS CG C 133.304 . . 257 73 60 HIS N N 120.200 . . 258 74 61 ALA C C 175.598 . . 259 74 61 ALA CA C 51.498 . . 260 74 61 ALA CB C 23.701 . . 261 74 61 ALA N N 125.800 . . 262 75 62 LYS C C 174.999 . . 263 75 62 LYS CA C 55.399 . . 264 75 62 LYS CB C 36.800 . . 265 75 62 LYS CG C 25.098 . . 266 75 62 LYS CD C 30.200 . . 267 75 62 LYS CE C 41.044 . . 268 75 62 LYS N N 120.500 . . 269 76 63 LEU C C 175.129 . . 270 76 63 LEU CA C 53.800 . . 271 76 63 LEU CB C 44.941 . . 272 76 63 LEU CG C 27.799 . . 273 76 63 LEU CD1 C 23.504 . . 274 76 63 LEU CD2 C 23.193 . . 275 76 63 LEU N N 120.930 . . 276 77 64 GLN C C 175.942 . . 277 77 64 GLN CA C 54.249 . . 278 77 64 GLN CB C 32.602 . . 279 77 64 GLN CG C 34.151 . . 280 77 64 GLN CD C 180.242 . . 281 77 64 GLN N N 124.600 . . 282 78 65 ILE C C 174.999 . . 283 78 65 ILE CA C 60.700 . . 284 78 65 ILE CB C 42.241 . . 285 78 65 ILE CG1 C 28.180 . . 286 78 65 ILE CG2 C 17.922 . . 287 78 65 ILE CD1 C 14.501 . . 288 78 65 ILE N N 125.600 . . 289 79 66 THR C C 175.358 . . 290 79 66 THR CA C 61.297 . . 291 79 66 THR CB C 71.012 . . 292 79 66 THR CG2 C 21.998 . . 293 79 66 THR N N 119.700 . . 294 80 67 ASP C C 175.696 . . 295 80 67 ASP CA C 51.923 . . 296 80 67 ASP CB C 43.801 . . 297 80 67 ASP CG C 177.869 . . 298 80 67 ASP N N 125.400 . . 299 81 68 ARG C C 175.199 . . 300 81 68 ARG CA C 54.601 . . 301 81 68 ARG CB C 32.904 . . 302 81 68 ARG CG C 23.898 . . 303 81 68 ARG CD C 41.998 . . 304 81 68 ARG N N 118.400 . . 305 82 69 MET C C 175.503 . . 306 82 69 MET CA C 55.401 . . 307 82 69 MET CB C 35.340 . . 308 82 69 MET CG C 31.281 . . 309 82 69 MET CE C 18.706 . . 310 82 69 MET N N 123.500 . . 311 83 70 GLU C C 174.599 . . 312 83 70 GLU CA C 54.800 . . 313 83 70 GLU CB C 30.000 . . 314 83 70 GLU CG C 34.798 . . 315 83 70 GLU CD C 183.502 . . 316 83 70 GLU N N 120.640 . . 317 84 71 TYR C C 174.299 . . 318 84 71 TYR CA C 56.802 . . 319 84 71 TYR CB C 39.700 . . 320 84 71 TYR CG C 131.201 . . 321 84 71 TYR N N 122.800 . . 322 85 72 GLN C C 174.098 . . 323 85 72 GLN CA C 54.701 . . 324 85 72 GLN CB C 28.202 . . 325 85 72 GLN CG C 34.297 . . 326 85 72 GLN CD C 179.501 . . 327 85 72 GLN N N 123.600 . . 328 86 73 ILE C C 174.598 . . 329 86 73 ILE CA C 59.459 . . 330 86 73 ILE CB C 42.901 . . 331 86 73 ILE CG1 C 27.740 . . 332 86 73 ILE CG2 C 18.199 . . 333 86 73 ILE CD1 C 14.100 . . 334 86 73 ILE N N 126.071 . . 335 87 74 ASP C C 173.900 . . 336 87 74 ASP CA C 55.703 . . 337 87 74 ASP CB C 40.294 . . 338 87 74 ASP CG C 180.300 . . 339 87 74 ASP N N 122.300 . . 340 88 75 VAL C C 175.400 . . 341 88 75 VAL CA C 60.910 . . 342 88 75 VAL CB C 36.199 . . 343 88 75 VAL CG1 C 21.999 . . 344 88 75 VAL CG2 C 21.205 . . 345 88 75 VAL N N 121.500 . . 346 89 76 GLN C C 174.401 . . 347 89 76 GLN CA C 55.404 . . 348 89 76 GLN CB C 30.900 . . 349 89 76 GLN CG C 32.362 . . 350 89 76 GLN CD C 179.401 . . 351 89 76 GLN N N 122.440 . . 352 90 77 ILE C C 175.461 . . 353 90 77 ILE CA C 60.199 . . 354 90 77 ILE CB C 40.801 . . 355 90 77 ILE CG1 C 27.840 . . 356 90 77 ILE CG2 C 17.938 . . 357 90 77 ILE CD1 C 14.853 . . 358 90 77 ILE N N 126.500 . . 359 91 78 SER C C 173.405 . . 360 91 78 SER CA C 57.297 . . 361 91 78 SER CB C 66.303 . . 362 91 78 SER N N 120.450 . . 363 92 79 ARG C C 176.604 . . 364 92 79 ARG CA C 58.299 . . 365 92 79 ARG CB C 31.805 . . 366 92 79 ARG CG C 27.341 . . 367 92 79 ARG CD C 43.813 . . 368 92 79 ARG CZ C 164.999 . . 369 92 79 ARG N N 124.600 . . 370 93 80 SER C C 176.600 . . 371 93 80 SER CA C 57.001 . . 372 93 80 SER CB C 66.199 . . 373 93 80 SER N N 123.700 . . 374 94 81 ASN C C 174.001 . . 375 94 81 ASN CA C 53.798 . . 376 94 81 ASN CB C 38.304 . . 377 94 81 ASN CG C 177.296 . . 378 94 81 ASN N N 116.600 . . 379 95 82 CYS C C 173.498 . . 380 95 82 CYS CA C 54.199 . . 381 95 82 CYS CB C 44.304 . . 382 95 82 CYS N N 120.800 . . 383 96 83 LYS C C 175.999 . . 384 96 83 LYS CA C 55.200 . . 385 96 83 LYS CB C 33.896 . . 386 96 83 LYS CG C 24.449 . . 387 96 83 LYS CD C 29.899 . . 388 96 83 LYS CE C 43.001 . . 389 96 83 LYS N N 126.800 . . 390 97 84 LYS C C 175.503 . . 391 97 84 LYS CA C 56.400 . . 392 97 84 LYS CB C 36.492 . . 393 97 84 LYS CG C 25.599 . . 394 97 84 LYS CD C 28.012 . . 395 97 84 LYS CE C 42.497 . . 396 97 84 LYS N N 118.000 . . 397 98 85 PRO C C 175.740 . . 398 98 85 PRO CA C 63.340 . . 399 98 85 PRO CB C 32.410 . . 400 98 85 PRO CG C 27.690 . . 401 98 85 PRO CD C 50.530 . . 402 98 85 PRO N N 126.500 . . 403 99 86 LEU C C 175.100 . . 404 99 86 LEU CA C 53.500 . . 405 99 86 LEU CB C 44.596 . . 406 99 86 LEU CG C 30.101 . . 407 99 86 LEU CD1 C 27.401 . . 408 99 86 LEU CD2 C 25.998 . . 409 99 86 LEU N N 123.600 . . 410 100 87 ASN C C 175.199 . . 411 100 87 ASN CA C 52.500 . . 412 100 87 ASN CB C 40.799 . . 413 100 87 ASN CG C 176.401 . . 414 100 87 ASN N N 124.599 . . 415 101 88 ASN C C 175.302 . . 416 101 88 ASN CA C 54.901 . . 417 101 88 ASN CB C 37.318 . . 418 101 88 ASN CG C 179.500 . . 419 101 88 ASN N N 124.599 . . 420 102 89 THR C C 174.697 . . 421 102 89 THR CA C 61.900 . . 422 102 89 THR CB C 69.798 . . 423 102 89 THR CG2 C 21.996 . . 424 102 89 THR N N 122.900 . . 425 103 90 GLU C C 173.800 . . 426 103 90 GLU CA C 55.998 . . 427 103 90 GLU CB C 29.902 . . 428 103 90 GLU CG C 36.358 . . 429 103 90 GLU CD C 184.098 . . 430 103 90 GLU N N 125.830 . . 431 104 91 ASN C C 174.698 . . 432 104 91 ASN CA C 53.797 . . 433 104 91 ASN CB C 41.800 . . 434 104 91 ASN CG C 176.799 . . 435 104 91 ASN N N 121.700 . . 436 105 92 CYS C C 174.201 . . 437 105 92 CYS CA C 54.700 . . 438 105 92 CYS CB C 37.950 . . 439 105 92 CYS N N 126.900 . . 440 106 93 ILE C C 175.302 . . 441 106 93 ILE CA C 60.482 . . 442 106 93 ILE CB C 39.853 . . 443 106 93 ILE CG1 C 28.237 . . 444 106 93 ILE CG2 C 18.502 . . 445 106 93 ILE CD1 C 14.111 . . 446 106 93 ILE N N 122.800 . . 447 107 94 PRO C C 175.410 . . 448 107 94 PRO CA C 64.410 . . 449 107 94 PRO CB C 32.590 . . 450 107 94 PRO CG C 27.890 . . 451 107 94 PRO CD C 50.500 . . 452 107 94 PRO N N 125.340 . . 453 108 95 GLN C C 173.898 . . 454 108 95 GLN CA C 54.702 . . 455 108 95 GLN CB C 31.897 . . 456 108 95 GLN CG C 34.380 . . 457 108 95 GLN CD C 178.199 . . 458 108 95 GLN N N 123.000 . . 459 109 96 LYS C C 174.940 . . 460 109 96 LYS CA C 55.002 . . 461 109 96 LYS CB C 36.004 . . 462 109 96 LYS CG C 25.703 . . 463 109 96 LYS CD C 29.998 . . 464 109 96 LYS CE C 42.025 . . 465 109 96 LYS N N 127.100 . . 466 110 97 LYS C C 174.450 . . 467 110 97 LYS CA C 55.743 . . 468 110 97 LYS CB C 36.606 . . 469 110 97 LYS CG C 25.398 . . 470 110 97 LYS CD C 29.500 . . 471 110 97 LYS CE C 41.997 . . 472 110 97 LYS N N 123.540 . . 473 111 98 PRO C C 175.810 . . 474 111 98 PRO CA C 62.600 . . 475 111 98 PRO CB C 33.640 . . 476 111 98 PRO CG C 27.700 . . 477 111 98 PRO CD C 50.220 . . 478 111 98 PRO N N 125.400 . . 479 112 99 GLU C C 176.200 . . 480 112 99 GLU CA C 58.602 . . 481 112 99 GLU CB C 30.100 . . 482 112 99 GLU CG C 36.303 . . 483 112 99 GLU CD C 182.798 . . 484 112 99 GLU N N 119.060 . . 485 113 100 LEU C C 175.800 . . 486 113 100 LEU CA C 56.700 . . 487 113 100 LEU CB C 41.002 . . 488 113 100 LEU CG C 29.499 . . 489 113 100 LEU CD1 C 25.598 . . 490 113 100 LEU CD2 C 24.499 . . 491 113 100 LEU N N 124.100 . . 492 114 101 GLU C C 173.909 . . 493 114 101 GLU CA C 54.900 . . 494 114 101 GLU CB C 33.295 . . 495 114 101 GLU CG C 36.299 . . 496 114 101 GLU CD C 183.437 . . 497 114 101 GLU N N 122.800 . . 498 115 102 LYS C C 175.500 . . 499 115 102 LYS CA C 55.708 . . 500 115 102 LYS CB C 34.396 . . 501 115 102 LYS CG C 23.199 . . 502 115 102 LYS CD C 30.509 . . 503 115 102 LYS CE C 42.298 . . 504 115 102 LYS N N 122.600 . . 505 116 103 LYS C C 175.204 . . 506 116 103 LYS CA C 55.203 . . 507 116 103 LYS CB C 33.999 . . 508 116 103 LYS CG C 24.404 . . 509 116 103 LYS CD C 30.000 . . 510 116 103 LYS CE C 42.102 . . 511 116 103 LYS N N 127.200 . . 512 117 104 MET C C 175.065 . . 513 117 104 MET CA C 54.797 . . 514 117 104 MET CB C 38.201 . . 515 117 104 MET CG C 28.701 . . 516 117 104 MET CE C 18.383 . . 517 117 104 MET N N 120.550 . . 518 118 105 SER C C 173.503 . . 519 118 105 SER CA C 56.999 . . 520 118 105 SER CB C 65.929 . . 521 118 105 SER N N 119.130 . . 522 119 106 CYS C C 173.418 . . 523 119 106 CYS CA C 54.900 . . 524 119 106 CYS CB C 49.203 . . 525 119 106 CYS N N 122.500 . . 526 120 107 SER C C 172.900 . . 527 120 107 SER CA C 56.701 . . 528 120 107 SER CB C 64.602 . . 529 120 107 SER N N 117.800 . . 530 121 108 PHE C C 175.097 . . 531 121 108 PHE CA C 56.501 . . 532 121 108 PHE CB C 44.302 . . 533 121 108 PHE CG C 139.298 . . 534 121 108 PHE CD2 C 133.196 . . 535 121 108 PHE N N 120.700 . . 536 122 109 LEU C C 174.808 . . 537 122 109 LEU CA C 55.006 . . 538 122 109 LEU CB C 44.201 . . 539 122 109 LEU CG C 27.713 . . 540 122 109 LEU CD1 C 25.600 . . 541 122 109 LEU CD2 C 23.301 . . 542 122 109 LEU N N 124.400 . . 543 123 110 VAL C C 178.700 . . 544 123 110 VAL CA C 59.599 . . 545 123 110 VAL CB C 32.850 . . 546 123 110 VAL CG1 C 20.903 . . 547 123 110 VAL CG2 C 22.789 . . 548 123 110 VAL N N 119.400 . . 549 124 111 GLY C C 172.298 . . 550 124 111 GLY CA C 44.301 . . 551 124 111 GLY N N 127.000 . . 552 125 112 ALA C C 174.098 . . 553 125 112 ALA CA C 52.701 . . 554 125 112 ALA CB C 21.701 . . 555 125 112 ALA N N 128.600 . . 556 126 113 LEU C C 174.902 . . 557 126 113 LEU CA C 54.599 . . 558 126 113 LEU CB C 41.900 . . 559 126 113 LEU CG C 27.898 . . 560 126 113 LEU CD1 C 25.698 . . 561 126 113 LEU CD2 C 23.600 . . 562 126 113 LEU N N 127.000 . . 563 127 114 PRO C C 178.250 . . 564 127 114 PRO CA C 62.350 . . 565 127 114 PRO CB C 32.420 . . 566 127 114 PRO CG C 27.300 . . 567 127 114 PRO CD C 51.040 . . 568 127 114 PRO N N 126.500 . . 569 128 115 TRP C C 174.199 . . 570 128 115 TRP CA C 56.801 . . 571 128 115 TRP CB C 30.696 . . 572 128 115 TRP CD2 C 131.361 . . 573 128 115 TRP N N 115.700 . . 574 129 116 ASN C C 174.577 . . 575 129 116 ASN CA C 57.200 . . 576 129 116 ASN CB C 42.164 . . 577 129 116 ASN CG C 177.000 . . 578 129 116 ASN N N 121.000 . . 579 130 117 GLY C C 172.700 . . 580 130 117 GLY CA C 44.201 . . 581 130 117 GLY N N 114.230 . . 582 131 118 GLU C C 174.451 . . 583 131 118 GLU CA C 55.103 . . 584 131 118 GLU CB C 35.992 . . 585 131 118 GLU CG C 33.401 . . 586 131 118 GLU CD C 183.404 . . 587 131 118 GLU N N 123.600 . . 588 132 119 PHE C C 176.100 . . 589 132 119 PHE CA C 57.300 . . 590 132 119 PHE CB C 41.897 . . 591 132 119 PHE CG C 139.283 . . 592 132 119 PHE CD2 C 133.601 . . 593 132 119 PHE N N 122.800 . . 594 133 120 ASN C C 174.205 . . 595 133 120 ASN CA C 53.500 . . 596 133 120 ASN CB C 38.252 . . 597 133 120 ASN CG C 176.212 . . 598 133 120 ASN N N 116.030 . . 599 134 121 LEU C C 174.200 . . 600 134 121 LEU CA C 56.700 . . 601 134 121 LEU CB C 41.305 . . 602 134 121 LEU CG C 29.570 . . 603 134 121 LEU CD1 C 27.700 . . 604 134 121 LEU CD2 C 25.901 . . 605 134 121 LEU N N 124.500 . . 606 135 122 LEU C C 178.139 . . 607 135 122 LEU CA C 56.895 . . 608 135 122 LEU CB C 42.603 . . 609 135 122 LEU CG C 27.295 . . 610 135 122 LEU CD1 C 25.497 . . 611 135 122 LEU N N 129.400 . . 612 136 123 SER C C 172.903 . . 613 136 123 SER CA C 58.305 . . 614 136 123 SER CB C 64.900 . . 615 136 123 SER N N 110.700 . . 616 137 124 LYS C C 175.000 . . 617 137 124 LYS CA C 55.399 . . 618 137 124 LYS CB C 35.799 . . 619 137 124 LYS CG C 25.100 . . 620 137 124 LYS CD C 30.498 . . 621 137 124 LYS CE C 43.197 . . 622 137 124 LYS N N 121.500 . . 623 138 125 GLU C C 174.800 . . 624 138 125 GLU CA C 55.902 . . 625 138 125 GLU CB C 32.701 . . 626 138 125 GLU CG C 36.803 . . 627 138 125 GLU CD C 181.335 . . 628 138 125 GLU N N 123.000 . . 629 139 126 CYS C C 173.402 . . 630 139 126 CYS CA C 55.697 . . 631 139 126 CYS CB C 49.698 . . 632 139 126 CYS N N 124.500 . . 633 140 127 LYS C C 175.000 . . 634 140 127 LYS CA C 54.600 . . 635 140 127 LYS CB C 36.401 . . 636 140 127 LYS CG C 24.800 . . 637 140 127 LYS CD C 29.800 . . 638 140 127 LYS CE C 42.200 . . 639 140 127 LYS N N 122.100 . . 640 141 128 ASP C C 175.102 . . 641 141 128 ASP CA C 55.801 . . 642 141 128 ASP CB C 41.604 . . 643 141 128 ASP CG C 180.196 . . 644 141 128 ASP N N 122.700 . . 645 142 129 VAL C C 180.898 . . 646 142 129 VAL CA C 63.999 . . 647 142 129 VAL CB C 33.592 . . 648 142 129 VAL CG1 C 22.696 . . 649 142 129 VAL CG2 C 21.336 . . 650 142 129 VAL N N 124.000 . . stop_ save_