data_12038 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment for the segmental-labeled acidic region in the phosphorylated DNA-binding domain of Drosophila melanogaster SSRP1 ; _BMRB_accession_number 12038 _BMRB_flat_file_name bmr12038.str _Entry_type original _Submission_date 2019-10-28 _Accession_date 2019-11-07 _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" 75 "13C chemical shifts" 242 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-09 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 12035 'Backbone assignment for the segmental-labeled acidic region in the DNA-binding domain of Drosophila melanogaster SSRP1' 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 ; 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 2019-11-07 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 melanogaster 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-his 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 0.35 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 indirect . . . 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_ _Software_label $Magro stop_ 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 3 3 TYR C C 175.702 0.300 1 2 3 3 TYR CA C 58.598 0.300 1 3 3 3 TYR CB C 38.909 0.300 1 4 4 4 LYS H H 8.254 0.030 1 5 4 4 LYS C C 175.730 0.300 1 6 4 4 LYS CA C 56.241 0.300 1 7 4 4 LYS CB C 32.991 0.300 1 8 4 4 LYS N N 122.724 0.300 1 9 5 5 ASP H H 8.196 0.030 1 10 5 5 ASP C C 176.108 0.300 1 11 5 5 ASP CA C 54.751 0.300 1 12 5 5 ASP CB C 41.198 0.300 1 13 5 5 ASP N N 121.205 0.300 1 14 6 6 VAL H H 7.912 0.030 1 15 6 6 VAL C C 175.437 0.300 1 16 6 6 VAL CA C 62.114 0.300 1 17 6 6 VAL CB C 32.991 0.300 1 18 6 6 VAL N N 118.528 0.300 1 19 7 7 ASP H H 8.249 0.030 1 20 7 7 ASP C C 175.750 0.300 1 21 7 7 ASP CA C 54.198 0.300 1 22 7 7 ASP CB C 41.414 0.300 1 23 7 7 ASP N N 122.833 0.300 1 24 8 8 PHE H H 8.106 0.030 1 25 8 8 PHE C C 176.137 0.300 1 26 8 8 PHE CA C 57.916 0.300 1 27 8 8 PHE CB C 39.687 0.300 1 28 8 8 PHE N N 120.633 0.300 1 29 9 9 GLY H H 8.413 0.030 1 30 9 9 GLY C C 173.853 0.300 1 31 9 9 GLY CA C 45.380 0.300 1 32 9 9 GLY N N 110.433 0.300 1 33 10 10 ASP H H 8.289 0.030 1 34 10 10 ASP C C 176.553 0.300 1 35 10 10 ASP CA C 54.216 0.300 1 36 10 10 ASP CB C 41.630 0.300 1 37 10 10 ASP N N 120.663 0.300 1 38 11 11 SER H H 8.832 0.030 1 39 11 11 SER C C 174.160 0.300 1 40 11 11 SER CA C 57.898 0.300 1 41 11 11 SER CB C 65.821 0.300 1 42 11 11 SER N N 117.564 0.300 1 43 12 12 ASP H H 8.504 0.030 1 44 12 12 ASP C C 175.947 0.300 1 45 12 12 ASP CA C 54.658 0.300 1 46 12 12 ASP CB C 41.199 0.300 1 47 12 12 ASP N N 122.632 0.300 1 48 13 13 ASN H H 8.230 0.030 1 49 13 13 ASN C C 175.473 0.300 1 50 13 13 ASN CA C 53.609 0.300 1 51 13 13 ASN CB C 39.255 0.300 1 52 13 13 ASN N N 119.085 0.300 1 53 14 14 GLU H H 8.417 0.030 1 54 14 14 GLU C C 176.255 0.300 1 55 14 14 GLU CA C 57.032 0.300 1 56 14 14 GLU CB C 30.053 0.300 1 57 14 14 GLU N N 120.859 0.300 1 58 15 15 ASN H H 8.344 0.030 1 59 15 15 ASN C C 174.889 0.300 1 60 15 15 ASN CA C 53.314 0.300 1 61 15 15 ASN CB C 39.255 0.300 1 62 15 15 ASN N N 118.658 0.300 1 63 16 16 GLU H H 8.214 0.030 1 64 16 16 GLU C C 174.759 0.300 1 65 16 16 GLU CA C 54.805 0.300 1 66 16 16 GLU CB C 29.838 0.300 1 67 16 16 GLU N N 122.086 0.300 1 68 17 17 PRO C C 177.377 0.300 1 69 17 17 PRO CA C 64.267 0.300 1 70 17 17 PRO CB C 31.911 0.300 1 71 18 18 ASP H H 8.409 0.030 1 72 18 18 ASP C C 177.202 0.300 1 73 18 18 ASP CA C 55.174 0.300 1 74 18 18 ASP CB C 40.939 0.300 1 75 18 18 ASP N N 119.122 0.300 1 76 19 19 ALA H H 8.218 0.030 1 77 19 19 ALA C C 179.270 0.300 1 78 19 19 ALA CA C 54.346 0.300 1 79 19 19 ALA CB C 18.952 0.300 1 80 19 19 ALA N N 125.107 0.300 1 81 20 20 TYR H H 8.174 0.030 1 82 20 20 TYR C C 176.992 0.300 1 83 20 20 TYR CA C 60.034 0.300 1 84 20 20 TYR CB C 37.959 0.300 1 85 20 20 TYR N N 119.085 0.300 1 86 21 21 LEU H H 7.851 0.030 1 87 21 21 LEU C C 178.748 0.300 1 88 21 21 LEU CA C 56.867 0.300 1 89 21 21 LEU CB C 41.630 0.300 1 90 21 21 LEU N N 120.608 0.300 1 91 22 22 ALA H H 7.971 0.030 1 92 22 22 ALA C C 179.651 0.300 1 93 22 22 ALA CA C 54.308 0.300 1 94 22 22 ALA CB C 18.520 0.300 1 95 22 22 ALA N N 121.633 0.300 1 96 23 23 ARG H H 7.811 0.030 1 97 23 23 ARG C C 177.612 0.300 1 98 23 23 ARG CA C 57.990 0.300 1 99 23 23 ARG CB C 30.010 0.300 1 100 23 23 ARG N N 119.310 0.300 1 101 24 24 LEU H H 7.849 0.030 1 102 24 24 LEU C C 179.049 0.300 1 103 24 24 LEU CA C 56.793 0.300 1 104 24 24 LEU CB C 41.472 0.300 1 105 24 24 LEU N N 120.835 0.300 1 106 25 25 LYS H H 7.997 0.030 1 107 25 25 LYS C C 177.562 0.300 1 108 25 25 LYS CA C 57.714 0.300 1 109 25 25 LYS CB C 32.688 0.300 1 110 25 25 LYS N N 120.004 0.300 1 111 26 26 ALA H H 7.940 0.030 1 112 26 26 ALA C C 178.899 0.300 1 113 26 26 ALA CA C 53.683 0.300 1 114 26 26 ALA CB C 18.909 0.300 1 115 26 26 ALA N N 123.333 0.300 1 116 27 27 GLU H H 8.196 0.030 1 117 27 27 GLU C C 177.000 0.300 1 118 27 27 GLU CA C 57.328 0.300 1 119 27 27 GLU CB C 30.097 0.300 1 120 27 27 GLU N N 118.876 0.300 1 121 28 28 ALA H H 7.959 0.030 1 122 28 28 ALA C C 178.015 0.300 1 123 28 28 ALA CA C 53.038 0.300 1 124 28 28 ALA CB C 18.909 0.300 1 125 28 28 ALA N N 123.461 0.300 1 126 29 29 ARG H H 8.030 0.030 1 127 29 29 ARG C C 176.738 0.300 1 128 29 29 ARG CA C 56.573 0.300 1 129 29 29 ARG CB C 30.788 0.300 1 130 29 29 ARG N N 119.599 0.300 1 131 30 30 GLU C C 176.592 0.300 1 132 30 30 GLU CA C 56.978 0.300 1 133 30 30 GLU CB C 30.183 0.300 1 134 31 31 LYS H H 8.142 0.030 1 135 31 31 LYS C C 176.517 0.300 1 136 31 31 LYS CA C 56.425 0.300 1 137 31 31 LYS CB C 33.250 0.300 1 138 31 31 LYS N N 121.152 0.300 1 139 32 32 GLU H H 8.426 0.030 1 140 32 32 GLU C C 176.599 0.300 1 141 32 32 GLU CA C 56.738 0.300 1 142 32 32 GLU CB C 30.270 0.300 1 143 32 32 GLU N N 122.284 0.300 1 144 33 33 GLU H H 8.373 0.030 1 145 33 33 GLU C C 176.139 0.300 1 146 33 33 GLU CA C 56.775 0.300 1 147 33 33 GLU CB C 30.356 0.300 1 148 33 33 GLU N N 121.080 0.300 1 149 34 34 ASP H H 8.317 0.030 1 150 34 34 ASP C C 175.844 0.300 1 151 34 34 ASP CA C 54.394 0.300 1 152 34 34 ASP CB C 41.328 0.300 1 153 34 34 ASP N N 120.756 0.300 1 154 35 35 ASP H H 8.254 0.030 1 155 35 35 ASP C C 175.944 0.300 1 156 35 35 ASP CA C 54.364 0.300 1 157 35 35 ASP CB C 41.328 0.300 1 158 35 35 ASP N N 120.966 0.300 1 159 36 36 ASP H H 8.301 0.030 1 160 36 36 ASP C C 175.978 0.300 1 161 36 36 ASP CA C 54.290 0.300 1 162 36 36 ASP CB C 41.501 0.300 1 163 36 36 ASP N N 121.045 0.300 1 164 37 37 ASP C C 176.792 0.300 1 165 37 37 ASP CA C 54.511 0.300 1 166 37 37 ASP CB C 41.242 0.300 1 167 38 38 GLY H H 8.362 0.030 1 168 38 38 GLY C C 173.921 0.300 1 169 38 38 GLY CA C 45.380 0.300 1 170 38 38 GLY N N 109.174 0.300 1 171 39 39 ASP H H 8.209 0.030 1 172 39 39 ASP C C 176.645 0.300 1 173 39 39 ASP CA C 54.345 0.300 1 174 39 39 ASP CB C 41.717 0.300 1 175 39 39 ASP N N 120.610 0.300 1 176 40 40 SER H H 8.816 0.030 1 177 40 40 SER C C 174.574 0.300 1 178 40 40 SER CA C 58.045 0.300 1 179 40 40 SER CB C 65.951 0.300 1 180 40 40 SER N N 118.058 0.300 1 181 42 42 GLU C C 176.311 0.300 1 182 42 42 GLU CA C 56.352 0.300 1 183 42 42 GLU CB C 30.529 0.300 1 184 43 43 GLU H H 8.453 0.030 1 185 43 43 GLU C C 176.517 0.300 1 186 43 43 GLU CA C 56.388 0.300 1 187 43 43 GLU CB C 30.615 0.300 1 188 43 43 GLU N N 122.487 0.300 1 189 44 44 SER H H 8.878 0.030 1 190 44 44 SER C C 174.360 0.300 1 191 44 44 SER CA C 57.677 0.300 1 192 44 44 SER CB C 65.907 0.300 1 193 44 44 SER N N 118.733 0.300 1 194 45 45 THR H H 8.286 0.030 1 195 45 45 THR C C 174.117 0.300 1 196 45 45 THR CA C 61.561 0.300 1 197 45 45 THR CB C 69.968 0.300 1 198 45 45 THR N N 115.716 0.300 1 199 46 46 ASP H H 8.397 0.030 1 200 46 46 ASP C C 176.415 0.300 1 201 46 46 ASP CA C 54.400 0.300 1 202 46 46 ASP CB C 41.328 0.300 1 203 46 46 ASP N N 123.019 0.300 1 204 47 47 GLU C C 176.070 0.300 1 205 47 47 GLU CA C 56.573 0.300 1 206 47 47 GLU CB C 30.529 0.300 1 207 48 48 ASP H H 8.335 0.030 1 208 48 48 ASP C C 175.863 0.300 1 209 48 48 ASP CA C 54.437 0.300 1 210 48 48 ASP CB C 41.371 0.300 1 211 48 48 ASP N N 121.190 0.300 1 212 49 49 PHE H H 8.029 0.030 1 213 49 49 PHE C C 175.032 0.300 1 214 49 49 PHE CA C 57.806 0.300 1 215 49 49 PHE CB C 39.644 0.300 1 216 49 49 PHE N N 120.651 0.300 1 217 50 50 LYS H H 8.064 0.030 1 218 50 50 LYS C C 173.815 0.300 1 219 50 50 LYS CA C 53.590 0.300 1 220 50 50 LYS CB C 32.861 0.300 1 221 50 50 LYS N N 125.604 0.300 1 222 51 51 PRO C C 176.611 0.300 1 223 51 51 PRO CA C 63.126 0.300 1 224 51 51 PRO CB C 32.170 0.300 1 225 52 52 ASN H H 8.506 0.030 1 226 52 52 ASN C C 175.268 0.300 1 227 52 52 ASN CA C 53.296 0.300 1 228 52 52 ASN CB C 38.952 0.300 1 229 52 52 ASN N N 118.636 0.300 1 230 53 53 GLU H H 8.384 0.030 1 231 53 53 GLU C C 176.060 0.300 1 232 53 53 GLU CA C 56.849 0.300 1 233 53 53 GLU CB C 30.312 0.300 1 234 53 53 GLU N N 121.656 0.300 1 235 54 54 ASN H H 8.470 0.030 1 236 54 54 ASN C C 175.178 0.300 1 237 54 54 ASN CA C 53.291 0.300 1 238 54 54 ASN CB C 39.109 0.300 1 239 54 54 ASN N N 119.077 0.300 1 240 55 55 GLU H H 8.400 0.030 1 241 55 55 GLU C C 176.636 0.300 1 242 55 55 GLU CA C 56.904 0.300 1 243 55 55 GLU CB C 30.355 0.300 1 244 55 55 GLU N N 121.455 0.300 1 245 56 56 SER H H 8.734 0.030 1 246 56 56 SER C C 174.031 0.300 1 247 56 56 SER CA C 58.026 0.300 1 248 56 56 SER CB C 65.821 0.300 1 249 56 56 SER N N 117.186 0.300 1 250 57 57 ASP H H 8.358 0.030 1 251 57 57 ASP C C 176.051 0.300 1 252 57 57 ASP CA C 54.511 0.300 1 253 57 57 ASP CB C 41.371 0.300 1 254 57 57 ASP N N 122.411 0.300 1 255 58 58 VAL H H 7.999 0.030 1 256 58 58 VAL C C 175.817 0.300 1 257 58 58 VAL CA C 62.169 0.300 1 258 58 58 VAL CB C 32.732 0.300 1 259 58 58 VAL N N 120.101 0.300 1 260 59 59 ALA H H 8.319 0.030 1 261 59 59 ALA C C 177.544 0.300 1 262 59 59 ALA CA C 52.449 0.300 1 263 59 59 ALA CB C 19.513 0.300 1 264 59 59 ALA N N 127.892 0.300 1 265 60 60 GLU H H 8.303 0.030 1 266 60 60 GLU C C 176.127 0.300 1 267 60 60 GLU CA C 56.499 0.300 1 268 60 60 GLU CB C 30.529 0.300 1 269 60 60 GLU N N 120.531 0.300 1 270 61 61 GLU H H 8.309 0.030 1 271 61 61 GLU C C 175.770 0.300 1 272 61 61 GLU CA C 56.296 0.300 1 273 61 61 GLU CB C 30.615 0.300 1 274 61 61 GLU N N 121.715 0.300 1 275 62 62 TYR H H 8.230 0.030 1 276 62 62 TYR C C 174.923 0.300 1 277 62 62 TYR CA C 57.769 0.300 1 278 62 62 TYR CB C 39.255 0.300 1 279 62 62 TYR N N 121.720 0.300 1 280 63 63 ASP H H 8.150 0.030 1 281 63 63 ASP C C 175.930 0.300 1 282 63 63 ASP CA C 53.719 0.300 1 283 63 63 ASP CB C 41.976 0.300 1 284 63 63 ASP N N 123.672 0.300 1 285 64 64 SER H H 8.838 0.030 1 286 64 64 SER C C 174.378 0.300 1 287 64 64 SER CA C 58.119 0.300 1 288 64 64 SER CB C 65.864 0.300 1 289 64 64 SER N N 118.743 0.300 1 290 65 65 ASN H H 8.588 0.030 1 291 65 65 ASN C C 174.947 0.300 1 292 65 65 ASN CA C 53.775 0.300 1 293 65 65 ASN CB C 39.125 0.300 1 294 65 65 ASN N N 120.866 0.300 1 295 66 66 VAL H H 7.906 0.030 1 296 66 66 VAL C C 175.870 0.300 1 297 66 66 VAL CA C 62.188 0.300 1 298 66 66 VAL CB C 32.904 0.300 1 299 66 66 VAL N N 119.943 0.300 1 300 67 67 GLU H H 8.413 0.030 1 301 67 67 GLU C C 176.250 0.300 1 302 67 67 GLU CA C 56.260 0.300 1 303 67 67 GLU CB C 30.874 0.300 1 304 67 67 GLU N N 124.776 0.300 1 305 68 68 SER H H 8.775 0.030 1 306 68 68 SER C C 173.808 0.300 1 307 68 68 SER CA C 57.456 0.300 1 308 68 68 SER CB C 65.994 0.300 1 309 68 68 SER N N 118.471 0.300 1 310 69 69 ASP H H 8.561 0.030 1 311 69 69 ASP C C 176.296 0.300 1 312 69 69 ASP CA C 54.290 0.300 1 313 69 69 ASP CB C 41.760 0.300 1 314 69 69 ASP N N 123.044 0.300 1 315 70 70 SER H H 8.803 0.030 1 316 70 70 SER C C 174.188 0.300 1 317 70 70 SER CA C 57.934 0.300 1 318 70 70 SER CB C 65.907 0.300 1 319 70 70 SER N N 117.862 0.300 1 320 71 71 ASP H H 8.458 0.030 1 321 71 71 ASP C C 175.957 0.300 1 322 71 71 ASP CA C 54.529 0.300 1 323 71 71 ASP CB C 41.242 0.300 1 324 71 71 ASP N N 122.269 0.300 1 325 72 72 ASP H H 8.272 0.030 1 326 72 72 ASP C C 176.039 0.300 1 327 72 72 ASP CA C 54.308 0.300 1 328 72 72 ASP CB C 41.414 0.300 1 329 72 72 ASP N N 121.136 0.300 1 330 73 73 ASP H H 8.316 0.030 1 331 73 73 ASP C C 176.661 0.300 1 332 73 73 ASP CA C 54.327 0.300 1 333 73 73 ASP CB C 41.470 0.300 1 334 73 73 ASP N N 121.410 0.300 1 335 74 74 SER H H 8.829 0.030 1 336 74 74 SER C C 174.298 0.300 1 337 74 74 SER CA C 58.119 0.300 1 338 74 74 SER CB C 65.778 0.300 1 339 74 74 SER N N 117.031 0.300 1 340 75 75 ASP C C 176.465 0.300 1 341 75 75 ASP CA C 54.658 0.300 1 342 75 75 ASP CB C 41.069 0.300 1 343 76 76 ALA H H 8.240 0.030 1 344 76 76 ALA C C 178.333 0.300 1 345 76 76 ALA CA C 53.056 0.300 1 346 76 76 ALA CB C 19.081 0.300 1 347 76 76 ALA N N 124.779 0.300 1 348 77 77 SER H H 8.315 0.030 1 349 77 77 SER C C 175.504 0.300 1 350 77 77 SER CA C 59.094 0.300 1 351 77 77 SER CB C 63.618 0.300 1 352 77 77 SER N N 114.664 0.300 1 353 78 78 GLY H H 8.351 0.030 1 354 78 78 GLY C C 174.928 0.300 1 355 78 78 GLY CA C 45.656 0.300 1 356 78 78 GLY N N 110.713 0.300 1 357 79 79 GLY H H 8.288 0.030 1 358 79 79 GLY C C 174.909 0.300 1 359 79 79 GLY CA C 45.472 0.300 1 360 79 79 GLY N N 108.761 0.300 1 361 80 80 GLY H H 8.403 0.030 1 362 80 80 GLY C C 174.909 0.300 1 363 80 80 GLY CA C 45.398 0.300 1 364 80 80 GLY N N 108.930 0.300 1 365 81 81 GLY H H 8.376 0.030 1 366 81 81 GLY C C 174.126 0.300 1 367 81 81 GLY CA C 45.362 0.300 1 368 81 81 GLY N N 109.048 0.300 1 369 82 82 ASP H H 8.341 0.030 1 370 82 82 ASP C C 176.719 0.300 1 371 82 82 ASP CA C 54.418 0.300 1 372 82 82 ASP CB C 41.414 0.300 1 373 82 82 ASP N N 120.481 0.300 1 374 83 83 SER H H 8.330 0.030 1 375 83 83 SER C C 174.682 0.300 1 376 83 83 SER CA C 58.818 0.300 1 377 83 83 SER CB C 63.661 0.300 1 378 83 83 SER N N 116.042 0.300 1 379 84 84 ASP H H 8.371 0.030 1 380 84 84 ASP C C 176.974 0.300 1 381 84 84 ASP CA C 54.769 0.300 1 382 84 84 ASP CB C 41.198 0.300 1 383 84 84 ASP N N 122.092 0.300 1 384 85 85 GLY H H 8.308 0.030 1 385 85 85 GLY C C 174.462 0.300 1 386 85 85 GLY CA C 45.859 0.300 1 387 85 85 GLY N N 109.231 0.300 1 388 86 86 ALA H H 8.177 0.030 1 389 86 86 ALA C C 178.141 0.300 1 390 86 86 ALA CA C 53.112 0.300 1 391 86 86 ALA CB C 19.384 0.300 1 392 86 86 ALA N N 123.374 0.300 1 stop_ save_