data_12035 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment for the segmental-labeled acidic region in the DNA-binding domain of Drosophila melanogaster SSRP1 ; _BMRB_accession_number 12035 _BMRB_flat_file_name bmr12035.str _Entry_type original _Submission_date 2019-10-04 _Accession_date 2019-10-07 _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 Aoki Daisuke . . 2 Uewaki Jun-ichi . . 3 Tochio Naoya . . 4 Tate Shin-ichi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 80 "13C chemical shifts" 243 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-09 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 12036 ; Backbone assignment for the segmental-labeled basic region and HMG-box in the DNA-binding domain of Drosophila melanogaster SSRP1 ; 12037 ; Backbone assignment for the segmental-labeled acidic region (L24G mutant) in the DNA-binding domain of Drosophila melanogaster SSRP1 ; 12038 ; Backbone assignment for the segmental-labeled acidic region in the phosphorylated DNA-binding domain of Drosophila melanogaster SSRP1 ; 12039 ; Backbone assignment for the segmental-labeled basic region and HMG-box in the phosphorylated DNA-binding domain of Drosophila melanogaster SSRP1 ; stop_ _Original_release_date 2019-10-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Ultrasensitive Change in Nucleosome Binding by Multiple Phosphorylations to the Intrinsically Disordered Region of the Histone Chaperone FACT. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32553729 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aoki Daisuke . . 2 Awazu Akinori . . 3 Fujii Masashi . . 4 Uewaki Jun-ichi . . 5 Hashimoto Manami . . 6 Tochio Naoya . . 7 Umehara Takashi . . 8 Tate Shin-ichi . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume . _Journal_issue . _Journal_ISSN 0022-2836 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name AID _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'component 1' $AID 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_AID _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AID _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 192 _Mol_residue_sequence ; MGYKDVDFGDSDNENEPDAY LARLKAEAREKEEDDDDGDS DEESTDEDFKPNENESDVAE EYDSNVESDSDDDSDASGGG GDSDGACKKKEKKSEKKEKK EKKHKEKERTKKPSKKKKDS GKPKRATTAFMLWLNDTRES IKRENPGIKVTEIAKKGGEM WKELKDKSKWEDAAAKDKQR YHDEMRNYKPEA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 TYR 4 4 LYS 5 5 ASP 6 6 VAL 7 7 ASP 8 8 PHE 9 9 GLY 10 10 ASP 11 11 SER 12 12 ASP 13 13 ASN 14 14 GLU 15 15 ASN 16 16 GLU 17 17 PRO 18 18 ASP 19 19 ALA 20 20 TYR 21 21 LEU 22 22 ALA 23 23 ARG 24 24 LEU 25 25 LYS 26 26 ALA 27 27 GLU 28 28 ALA 29 29 ARG 30 30 GLU 31 31 LYS 32 32 GLU 33 33 GLU 34 34 ASP 35 35 ASP 36 36 ASP 37 37 ASP 38 38 GLY 39 39 ASP 40 40 SER 41 41 ASP 42 42 GLU 43 43 GLU 44 44 SER 45 45 THR 46 46 ASP 47 47 GLU 48 48 ASP 49 49 PHE 50 50 LYS 51 51 PRO 52 52 ASN 53 53 GLU 54 54 ASN 55 55 GLU 56 56 SER 57 57 ASP 58 58 VAL 59 59 ALA 60 60 GLU 61 61 GLU 62 62 TYR 63 63 ASP 64 64 SER 65 65 ASN 66 66 VAL 67 67 GLU 68 68 SER 69 69 ASP 70 70 SER 71 71 ASP 72 72 ASP 73 73 ASP 74 74 SER 75 75 ASP 76 76 ALA 77 77 SER 78 78 GLY 79 79 GLY 80 80 GLY 81 81 GLY 82 82 ASP 83 83 SER 84 84 ASP 85 85 GLY 86 86 ALA 87 87 CYS 88 88 LYS 89 89 LYS 90 90 LYS 91 91 GLU 92 92 LYS 93 93 LYS 94 94 SER 95 95 GLU 96 96 LYS 97 97 LYS 98 98 GLU 99 99 LYS 100 100 LYS 101 101 GLU 102 102 LYS 103 103 LYS 104 104 HIS 105 105 LYS 106 106 GLU 107 107 LYS 108 108 GLU 109 109 ARG 110 110 THR 111 111 LYS 112 112 LYS 113 113 PRO 114 114 SER 115 115 LYS 116 116 LYS 117 117 LYS 118 118 LYS 119 119 ASP 120 120 SER 121 121 GLY 122 122 LYS 123 123 PRO 124 124 LYS 125 125 ARG 126 126 ALA 127 127 THR 128 128 THR 129 129 ALA 130 130 PHE 131 131 MET 132 132 LEU 133 133 TRP 134 134 LEU 135 135 ASN 136 136 ASP 137 137 THR 138 138 ARG 139 139 GLU 140 140 SER 141 141 ILE 142 142 LYS 143 143 ARG 144 144 GLU 145 145 ASN 146 146 PRO 147 147 GLY 148 148 ILE 149 149 LYS 150 150 VAL 151 151 THR 152 152 GLU 153 153 ILE 154 154 ALA 155 155 LYS 156 156 LYS 157 157 GLY 158 158 GLY 159 159 GLU 160 160 MET 161 161 TRP 162 162 LYS 163 163 GLU 164 164 LEU 165 165 LYS 166 166 ASP 167 167 LYS 168 168 SER 169 169 LYS 170 170 TRP 171 171 GLU 172 172 ASP 173 173 ALA 174 174 ALA 175 175 ALA 176 176 LYS 177 177 ASP 178 178 LYS 179 179 GLN 180 180 ARG 181 181 TYR 182 182 HIS 183 183 ASP 184 184 GLU 185 185 MET 186 186 ARG 187 187 ASN 188 188 TYR 189 189 LYS 190 190 PRO 191 191 GLU 192 192 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 $AID 'fruit fly' 7227 Eukaryota Metazoa Drosophila . 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 $AID 'recombinant technology' . Escherichia coli . 'pTWIN1-Chis2 and pET28a' 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 $AID 0.44 mM '[U-13C; U-15N]' TRIS 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' D2O 6 % [U-2H] H2O 94 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Magro _Saveframe_category software _Name Magro _Version . loop_ _Vendor _Address _Electronic_address 'Kobayashi N' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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' 50 . mM pH 6.6 . pH pressure 1 . atm temperature 300 . 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 water C 13 protons ppm 4.767 internal indirect . . . 0.251449530 water H 1 protons ppm 4.767 internal direct . . . 1 water N 15 protons ppm 4.767 internal 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 HN(CA)CO' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' 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 'component 1' _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 2 2 GLY H H 8.472 0.030 1 2 2 2 GLY C C 173.953 0.300 1 3 2 2 GLY CA C 44.925 0.300 1 4 2 2 GLY N N 110.375 0.300 1 5 3 3 TYR H H 8.104 0.030 1 6 3 3 TYR C C 175.690 0.300 1 7 3 3 TYR CA C 58.156 0.300 1 8 3 3 TYR CB C 38.824 0.300 1 9 3 3 TYR N N 120.392 0.300 1 10 4 4 LYS H H 8.123 0.030 1 11 4 4 LYS C C 175.702 0.300 1 12 4 4 LYS CA C 56.151 0.300 1 13 4 4 LYS CB C 33.045 0.300 1 14 4 4 LYS N N 123.471 0.300 1 15 5 5 ASP H H 8.179 0.030 1 16 5 5 ASP C C 176.162 0.300 1 17 5 5 ASP CA C 54.692 0.300 1 18 5 5 ASP CB C 41.413 0.300 1 19 5 5 ASP N N 121.235 0.300 1 20 6 6 VAL H H 7.939 0.030 1 21 6 6 VAL C C 175.424 0.300 1 22 6 6 VAL CA C 62.194 0.300 1 23 6 6 VAL CB C 32.957 0.300 1 24 6 6 VAL N N 118.763 0.300 1 25 7 7 ASP H H 8.250 0.030 1 26 7 7 ASP C C 175.966 0.300 1 27 7 7 ASP CA C 54.177 0.300 1 28 7 7 ASP CB C 41.413 0.300 1 29 7 7 ASP N N 123.046 0.300 1 30 8 8 PHE H H 8.176 0.030 1 31 8 8 PHE C C 176.291 0.300 1 32 8 8 PHE CA C 58.065 0.300 1 33 8 8 PHE CB C 39.386 0.300 1 34 8 8 PHE N N 121.075 0.300 1 35 9 9 GLY H H 8.385 0.030 1 36 9 9 GLY C C 174.013 0.300 1 37 9 9 GLY CA C 45.588 0.300 1 38 9 9 GLY N N 110.091 0.300 1 39 10 10 ASP H H 8.281 0.030 1 40 10 10 ASP C C 176.309 0.300 1 41 10 10 ASP CA C 54.418 0.300 1 42 10 10 ASP CB C 41.456 0.300 1 43 10 10 ASP N N 120.534 0.300 1 44 11 11 SER H H 8.250 0.030 1 45 11 11 SER C C 174.397 0.300 1 46 11 11 SER CA C 58.614 0.300 1 47 11 11 SER CB C 63.889 0.300 1 48 11 11 SER N N 115.745 0.300 1 49 12 12 ASP H H 8.401 0.030 1 50 12 12 ASP C C 176.075 0.300 1 51 12 12 ASP CA C 54.656 0.300 1 52 12 12 ASP CB C 41.111 0.300 1 53 12 12 ASP N N 122.110 0.300 1 54 13 13 ASN H H 8.275 0.030 1 55 13 13 ASN C C 175.446 0.300 1 56 13 13 ASN CA C 53.587 0.300 1 57 13 13 ASN CB C 39.084 0.300 1 58 13 13 ASN N N 118.649 0.300 1 59 14 14 GLU H H 8.411 0.030 1 60 14 14 GLU C C 176.249 0.300 1 61 14 14 GLU CA C 57.107 0.300 1 62 14 14 GLU CB C 30.110 0.300 1 63 14 14 GLU N N 120.826 0.300 1 64 15 15 ASN H H 8.344 0.030 1 65 15 15 ASN C C 174.899 0.300 1 66 15 15 ASN CA C 53.333 0.300 1 67 15 15 ASN CB C 39.213 0.300 1 68 15 15 ASN N N 118.507 0.300 1 69 16 16 GLU H H 8.194 0.030 1 70 16 16 GLU C C 174.782 0.300 1 71 16 16 GLU CA C 54.875 0.300 1 72 16 16 GLU CB C 29.765 0.300 1 73 16 16 GLU N N 122.014 0.300 1 74 17 17 PRO C C 177.386 0.300 1 75 17 17 PRO CA C 64.231 0.300 1 76 17 17 PRO CB C 31.836 0.300 1 77 18 18 ASP H H 8.404 0.030 1 78 18 18 ASP C C 177.233 0.300 1 79 18 18 ASP CA C 55.172 0.300 1 80 18 18 ASP CB C 41.068 0.300 1 81 18 18 ASP N N 119.097 0.300 1 82 19 19 ALA H H 8.231 0.030 1 83 19 19 ALA C C 179.294 0.300 1 84 19 19 ALA CA C 54.324 0.300 1 85 19 19 ALA CB C 19.152 0.300 1 86 19 19 ALA N N 125.111 0.300 1 87 20 20 TYR H H 8.180 0.030 1 88 20 20 TYR C C 177.020 0.300 1 89 20 20 TYR CA C 60.111 0.300 1 90 20 20 TYR CB C 38.005 0.300 1 91 20 20 TYR N N 119.138 0.300 1 92 21 21 LEU H H 7.872 0.030 1 93 21 21 LEU C C 178.788 0.300 1 94 21 21 LEU CA C 56.978 0.300 1 95 21 21 LEU CB C 41.600 0.300 1 96 21 21 LEU N N 120.495 0.300 1 97 22 22 ALA H H 7.987 0.030 1 98 22 22 ALA C C 179.716 0.300 1 99 22 22 ALA CA C 54.361 0.300 1 100 22 22 ALA CB C 18.462 0.300 1 101 22 22 ALA N N 121.549 0.300 1 102 23 23 ARG H H 7.815 0.030 1 103 23 23 ARG C C 177.692 0.300 1 104 23 23 ARG CA C 58.047 0.300 1 105 23 23 ARG CB C 29.981 0.300 1 106 23 23 ARG N N 119.323 0.300 1 107 24 24 LEU H H 7.850 0.030 1 108 24 24 LEU C C 179.162 0.300 1 109 24 24 LEU CA C 56.830 0.300 1 110 24 24 LEU CB C 41.513 0.300 1 111 24 24 LEU N N 120.734 0.300 1 112 25 25 LYS H H 7.999 0.030 1 113 25 25 LYS C C 177.651 0.300 1 114 25 25 LYS CA C 57.844 0.300 1 115 25 25 LYS CB C 32.699 0.300 1 116 25 25 LYS N N 119.867 0.300 1 117 26 26 ALA H H 7.937 0.030 1 118 26 26 ALA C C 178.971 0.300 1 119 26 26 ALA CA C 53.771 0.300 1 120 26 26 ALA CB C 18.980 0.300 1 121 26 26 ALA N N 123.246 0.300 1 122 27 27 GLU H H 8.208 0.030 1 123 27 27 GLU C C 177.060 0.300 1 124 27 27 GLU CA C 57.439 0.300 1 125 27 27 GLU CB C 30.024 0.300 1 126 27 27 GLU N N 118.807 0.300 1 127 28 28 ALA H H 7.956 0.030 1 128 28 28 ALA C C 178.109 0.300 1 129 28 28 ALA CA C 53.145 0.300 1 130 28 28 ALA CB C 19.023 0.300 1 131 28 28 ALA N N 123.333 0.300 1 132 29 29 ARG H H 8.021 0.030 1 133 29 29 ARG C C 176.673 0.300 1 134 29 29 ARG CA C 56.720 0.300 1 135 29 29 ARG CB C 30.646 0.300 1 136 29 29 ARG N N 119.470 0.300 1 137 30 30 GLU H H 8.425 0.030 1 138 30 30 GLU C C 176.569 0.300 1 139 30 30 GLU CA C 56.959 0.300 1 140 30 30 GLU CB C 30.369 0.300 1 141 30 30 GLU N N 121.709 0.300 1 142 31 31 LYS H H 8.138 0.030 1 143 31 31 LYS C C 176.447 0.300 1 144 31 31 LYS CA C 56.406 0.300 1 145 31 31 LYS CB C 33.173 0.300 1 146 31 31 LYS N N 121.025 0.300 1 147 32 32 GLU H H 8.546 0.030 1 148 32 32 GLU C C 176.524 0.300 1 149 32 32 GLU CA C 56.720 0.300 1 150 32 32 GLU CB C 30.326 0.300 1 151 32 32 GLU N N 122.503 0.300 1 152 33 33 GLU H H 8.367 0.030 1 153 33 33 GLU C C 176.208 0.300 1 154 33 33 GLU CA C 56.867 0.300 1 155 33 33 GLU CB C 30.369 0.300 1 156 33 33 GLU N N 121.071 0.300 1 157 35 35 ASP C C 176.807 0.300 1 158 35 35 ASP CA C 56.609 0.300 1 159 35 35 ASP CB C 41.327 0.300 1 160 36 36 ASP H H 8.304 0.030 1 161 36 36 ASP C C 176.136 0.300 1 162 36 36 ASP CA C 54.377 0.300 1 163 36 36 ASP CB C 41.413 0.300 1 164 36 36 ASP N N 121.220 0.300 1 165 37 37 ASP H H 8.338 0.030 1 166 37 37 ASP C C 176.807 0.300 1 167 37 37 ASP CA C 54.492 0.300 1 168 37 37 ASP CB C 41.326 0.300 1 169 37 37 ASP N N 121.350 0.300 1 170 38 38 GLY H H 8.379 0.030 1 171 38 38 GLY C C 174.021 0.300 1 172 38 38 GLY CA C 45.509 0.300 1 173 38 38 GLY N N 108.982 0.300 1 174 39 39 ASP H H 8.206 0.030 1 175 39 39 ASP C C 176.495 0.300 1 176 39 39 ASP CA C 54.361 0.300 1 177 39 39 ASP CB C 41.413 0.300 1 178 39 39 ASP N N 120.539 0.300 1 179 40 40 SER H H 8.316 0.030 1 180 40 40 SER C C 174.454 0.300 1 181 40 40 SER CA C 58.499 0.300 1 182 40 40 SER CB C 63.932 0.300 1 183 40 40 SER N N 116.038 0.300 1 184 41 41 ASP H H 8.430 0.030 1 185 41 41 ASP C C 176.147 0.300 1 186 41 41 ASP CA C 54.471 0.300 1 187 41 41 ASP CB C 41.413 0.300 1 188 41 41 ASP N N 122.688 0.300 1 189 42 42 GLU H H 8.255 0.030 1 190 42 42 GLU C C 176.047 0.300 1 191 42 42 GLU CA C 54.584 0.300 1 192 42 42 GLU N N 120.683 0.300 1 193 43 43 GLU H H 8.319 0.030 1 194 43 43 GLU C C 176.482 0.300 1 195 43 43 GLU CA C 56.573 0.300 1 196 43 43 GLU CB C 30.196 0.300 1 197 43 43 GLU N N 120.984 0.300 1 198 44 44 SER H H 8.349 0.030 1 199 44 44 SER C C 174.822 0.300 1 200 44 44 SER CA C 58.323 0.300 1 201 44 44 SER CB C 63.846 0.300 1 202 44 44 SER N N 117.102 0.300 1 203 45 45 THR H H 8.298 0.030 1 204 45 45 THR C C 174.360 0.300 1 205 45 45 THR CA C 61.604 0.300 1 206 45 45 THR CB C 69.799 0.300 1 207 45 45 THR N N 115.742 0.300 1 208 46 46 ASP H H 8.350 0.030 1 209 46 46 ASP C C 176.127 0.300 1 210 46 46 ASP CA C 54.526 0.300 1 211 46 46 ASP CB C 41.284 0.300 1 212 46 46 ASP N N 122.590 0.300 1 213 47 47 GLU H H 8.319 0.030 1 214 47 47 GLU C C 176.312 0.300 1 215 47 47 GLU CA C 56.831 0.300 1 216 47 47 GLU CB C 30.296 0.300 1 217 47 47 GLU N N 120.984 0.300 1 218 48 48 ASP H H 8.273 0.030 1 219 48 48 ASP C C 175.752 0.300 1 220 48 48 ASP CA C 54.456 0.300 1 221 48 48 ASP CB C 41.327 0.300 1 222 48 48 ASP N N 120.622 0.300 1 223 49 49 PHE H H 8.019 0.030 1 224 49 49 PHE C C 175.070 0.300 1 225 49 49 PHE CA C 57.770 0.300 1 226 49 49 PHE CB C 39.558 0.300 1 227 49 49 PHE N N 120.546 0.300 1 228 50 50 LYS H H 8.080 0.030 1 229 50 50 LYS C C 173.884 0.300 1 230 50 50 LYS CA C 53.731 0.300 1 231 50 50 LYS CB C 32.871 0.300 1 232 50 50 LYS N N 125.458 0.300 1 233 51 51 PRO C C 176.653 0.300 1 234 51 51 PRO CA C 63.126 0.300 1 235 51 51 PRO CB C 32.008 0.300 1 236 52 52 ASN H H 8.529 0.030 1 237 52 52 ASN C C 175.446 0.300 1 238 52 52 ASN CA C 53.365 0.300 1 239 52 52 ASN CB C 38.997 0.300 1 240 52 52 ASN N N 118.602 0.300 1 241 53 53 GLU H H 8.443 0.030 1 242 53 53 GLU C C 176.175 0.300 1 243 53 53 GLU CA C 56.904 0.300 1 244 53 53 GLU CB C 30.282 0.300 1 245 53 53 GLU N N 121.638 0.300 1 246 54 54 ASN H H 8.456 0.030 1 247 54 54 ASN C C 176.178 0.300 1 248 54 54 ASN CA C 53.443 0.300 1 249 54 54 ASN CB C 39.083 0.300 1 250 54 54 ASN N N 118.802 0.300 1 251 55 55 GLU H H 8.343 0.030 1 252 55 55 GLU C C 176.533 0.300 1 253 55 55 GLU CA C 56.849 0.300 1 254 55 55 GLU CB C 30.209 0.300 1 255 55 55 GLU N N 121.350 0.300 1 256 56 56 SER H H 8.291 0.030 1 257 56 56 SER C C 174.310 0.300 1 258 56 56 SER CA C 58.544 0.300 1 259 56 56 SER CB C 63.889 0.300 1 260 56 56 SER N N 116.094 0.300 1 261 57 57 ASP H H 8.361 0.030 1 262 57 57 ASP C C 176.166 0.300 1 263 57 57 ASP CA C 54.471 0.300 1 264 57 57 ASP CB C 41.284 0.300 1 265 57 57 ASP N N 122.608 0.300 1 266 58 58 VAL H H 7.976 0.030 1 267 58 58 VAL C C 175.863 0.300 1 268 58 58 VAL CA C 62.194 0.300 1 269 58 58 VAL CB C 32.742 0.300 1 270 58 58 VAL N N 119.679 0.300 1 271 59 59 ALA H H 8.307 0.030 1 272 59 59 ALA C C 177.639 0.300 1 273 59 59 ALA CA C 52.574 0.300 1 274 59 59 ALA CB C 19.498 0.300 1 275 59 59 ALA N N 127.670 0.300 1 276 60 60 GLU H H 8.296 0.030 1 277 60 60 GLU C C 176.245 0.300 1 278 60 60 GLU CA C 56.627 0.300 1 279 60 60 GLU CB C 30.584 0.300 1 280 60 60 GLU N N 120.296 0.300 1 281 61 61 GLU H H 8.338 0.030 1 282 61 61 GLU C C 176.576 0.300 1 283 61 61 GLU CA C 56.830 0.300 1 284 61 61 GLU CB C 30.455 0.300 1 285 61 61 GLU N N 121.326 0.300 1 286 62 62 TYR C C 175.389 0.300 1 287 62 62 TYR CA C 57.861 0.300 1 288 62 62 TYR CB C 39.083 0.300 1 289 63 63 ASP H H 8.271 0.030 1 290 63 63 ASP C C 176.056 0.300 1 291 63 63 ASP CA C 54.029 0.300 1 292 63 63 ASP CB C 41.542 0.300 1 293 63 63 ASP N N 122.624 0.300 1 294 64 64 SER H H 8.219 0.030 1 295 64 64 SER C C 174.536 0.300 1 296 64 64 SER CA C 58.692 0.300 1 297 64 64 SER CB C 63.674 0.300 1 298 64 64 SER N N 116.825 0.300 1 299 65 65 ASN H H 8.509 0.030 1 300 65 65 ASN C C 175.202 0.300 1 301 65 65 ASN CA C 53.623 0.300 1 302 65 65 ASN CB C 38.911 0.300 1 303 65 65 ASN N N 120.878 0.300 1 304 66 66 VAL H H 7.929 0.030 1 305 66 66 VAL C C 176.129 0.300 1 306 66 66 VAL CA C 62.433 0.300 1 307 66 66 VAL CB C 32.742 0.300 1 308 66 66 VAL N N 119.642 0.300 1 309 67 67 GLU H H 8.441 0.030 1 310 67 67 GLU C C 176.461 0.300 1 311 67 67 GLU CA C 56.517 0.300 1 312 67 67 GLU CB C 30.283 0.300 1 313 67 67 GLU N N 124.386 0.300 1 314 68 68 SER H H 8.329 0.030 1 315 68 68 SER C C 174.310 0.300 1 316 68 68 SER CA C 58.323 0.300 1 317 68 68 SER CB C 63.975 0.300 1 318 68 68 SER N N 116.916 0.300 1 319 69 69 ASP H H 8.451 0.030 1 320 69 69 ASP C C 176.369 0.300 1 321 69 69 ASP CA C 54.380 0.300 1 322 69 69 ASP CB C 41.456 0.300 1 323 69 69 ASP N N 122.879 0.300 1 324 70 70 SER H H 8.295 0.030 1 325 70 70 SER C C 174.413 0.300 1 326 70 70 SER CA C 58.471 0.300 1 327 70 70 SER CB C 63.932 0.300 1 328 70 70 SER N N 115.879 0.300 1 329 71 71 ASP H H 8.428 0.030 1 330 71 71 ASP C C 176.082 0.300 1 331 71 71 ASP CA C 54.456 0.300 1 332 71 71 ASP CB C 41.456 0.300 1 333 71 71 ASP N N 122.677 0.300 1 334 72 72 ASP H H 8.270 0.030 1 335 72 72 ASP C C 175.978 0.300 1 336 72 72 ASP CA C 54.443 0.300 1 337 72 72 ASP CB C 41.468 0.300 1 338 72 72 ASP N N 120.923 0.300 1 339 73 73 ASP H H 8.303 0.030 1 340 73 73 ASP C C 176.680 0.300 1 341 73 73 ASP CA C 54.376 0.300 1 342 73 73 ASP CB C 41.120 0.300 1 343 73 73 ASP N N 121.212 0.300 1 344 74 74 SER H H 8.262 0.030 1 345 74 74 SER C C 174.747 0.300 1 346 74 74 SER CA C 59.227 0.300 1 347 74 74 SER CB C 63.816 0.300 1 348 74 74 SER N N 116.306 0.300 1 349 75 75 ASP H H 8.378 0.030 1 350 75 75 ASP C C 176.461 0.300 1 351 75 75 ASP CA C 54.585 0.300 1 352 75 75 ASP CB C 41.068 0.300 1 353 75 75 ASP N N 122.096 0.300 1 354 76 76 ALA H H 8.238 0.030 1 355 76 76 ALA C C 178.279 0.300 1 356 76 76 ALA CA C 52.979 0.300 1 357 76 76 ALA CB C 19.239 0.300 1 358 76 76 ALA N N 124.784 0.300 1 359 77 77 SER H H 8.310 0.030 1 360 77 77 SER C C 175.477 0.300 1 361 77 77 SER CA C 59.042 0.300 1 362 77 77 SER CB C 63.673 0.300 1 363 77 77 SER N N 114.712 0.300 1 364 78 78 GLY H H 8.347 0.030 1 365 78 78 GLY C C 174.933 0.300 1 366 78 78 GLY CA C 45.570 0.300 1 367 78 78 GLY N N 110.701 0.300 1 368 79 79 GLY H H 8.288 0.030 1 369 79 79 GLY C C 174.909 0.300 1 370 79 79 GLY CA C 45.472 0.300 1 371 79 79 GLY N N 108.739 0.300 1 372 80 80 GLY H H 8.392 0.030 1 373 80 80 GLY C C 174.899 0.300 1 374 80 80 GLY CA C 45.422 0.300 1 375 80 80 GLY N N 108.906 0.300 1 376 81 81 GLY H H 8.375 0.030 1 377 81 81 GLY C C 174.145 0.300 1 378 81 81 GLY CA C 45.441 0.300 1 379 81 81 GLY N N 108.977 0.300 1 380 82 82 ASP H H 8.333 0.030 1 381 82 82 ASP C C 176.611 0.300 1 382 82 82 ASP CA C 54.398 0.300 1 383 82 82 ASP CB C 41.284 0.300 1 384 82 82 ASP N N 120.479 0.300 1 385 83 83 SER H H 8.307 0.030 1 386 83 83 SER C C 174.584 0.300 1 387 83 83 SER CA C 58.951 0.300 1 388 83 83 SER CB C 63.673 0.300 1 389 83 83 SER N N 116.068 0.300 1 390 84 84 ASP H H 8.368 0.030 1 391 84 84 ASP C C 177.019 0.300 1 392 84 84 ASP CA C 54.766 0.300 1 393 84 84 ASP CB C 41.240 0.300 1 394 84 84 ASP N N 122.089 0.300 1 395 85 85 GLY H H 8.319 0.030 1 396 85 85 GLY C C 174.542 0.300 1 397 85 85 GLY CA C 45.864 0.300 1 398 85 85 GLY N N 109.215 0.300 1 399 86 86 ALA H H 8.160 0.030 1 400 86 86 ALA C C 178.164 0.300 1 401 86 86 ALA CA C 53.029 0.300 1 402 86 86 ALA CB C 19.411 0.300 1 403 86 86 ALA N N 123.621 0.300 1 stop_ save_