data_27346 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for H2A in mono-nucleosome ; _BMRB_accession_number 27346 _BMRB_flat_file_name bmr27346.str _Entry_type original _Submission_date 2017-12-20 _Accession_date 2017-12-20 _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 Xiang Shengqi . . 2 'le Paige' Ulric B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 89 "13C chemical shifts" 188 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-24 update BMRB 'update entry citation' 2018-03-08 original author 'original release' stop_ _Original_release_date 2017-12-21 save_ ############################# # Citation for this entry # ############################# save_citation1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Site-Specific Studies of Nucleosome Interactions by Solid-State NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29465771 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xiang Shengqi . . 2 'le Paige' Ulric B. . 3 Horn Velten . . 4 Houben Klaartje . . 5 Baldus Marc . . 6 'van Ingen' Hugo . . stop_ _Journal_abbreviation 'Angew. Chem. Int. Ed. Engl.' _Journal_name_full 'Angewandte Chemie (International ed. in English)' _Journal_volume 57 _Journal_issue 17 _Journal_ISSN 1521-3773 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4571 _Page_last 4575 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Nucleosome _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label H2A $H2A-Nucleosome stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; H2B-Nucleosome H3-Nucleosome H4-Nucleosome 601DNA-Nucleosome ; save_ ######################## # Monomeric polymers # ######################## save_H2A-Nucleosome _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common H2A-Nucleosome _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; SGRGKGGKVKGKAKSRSNRA GLQFPVGRIHRLLRKGNYAE RVGAGAPVYLAAVMEYLAAE VLELAGNAARDNKKTRIIPR HLQLAIRNDEELNKLLSGVT IAQGGVLPNIQAVLLPKKTE KKA ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLY 3 ARG 4 GLY 5 LYS 6 GLY 7 GLY 8 LYS 9 VAL 10 LYS 11 GLY 12 LYS 13 ALA 14 LYS 15 SER 16 ARG 17 SER 18 ASN 19 ARG 20 ALA 21 GLY 22 LEU 23 GLN 24 PHE 25 PRO 26 VAL 27 GLY 28 ARG 29 ILE 30 HIS 31 ARG 32 LEU 33 LEU 34 ARG 35 LYS 36 GLY 37 ASN 38 TYR 39 ALA 40 GLU 41 ARG 42 VAL 43 GLY 44 ALA 45 GLY 46 ALA 47 PRO 48 VAL 49 TYR 50 LEU 51 ALA 52 ALA 53 VAL 54 MET 55 GLU 56 TYR 57 LEU 58 ALA 59 ALA 60 GLU 61 VAL 62 LEU 63 GLU 64 LEU 65 ALA 66 GLY 67 ASN 68 ALA 69 ALA 70 ARG 71 ASP 72 ASN 73 LYS 74 LYS 75 THR 76 ARG 77 ILE 78 ILE 79 PRO 80 ARG 81 HIS 82 LEU 83 GLN 84 LEU 85 ALA 86 ILE 87 ARG 88 ASN 89 ASP 90 GLU 91 GLU 92 LEU 93 ASN 94 LYS 95 LEU 96 LEU 97 SER 98 GLY 99 VAL 100 THR 101 ILE 102 ALA 103 GLN 104 GLY 105 GLY 106 VAL 107 LEU 108 PRO 109 ASN 110 ILE 111 GLN 112 ALA 113 VAL 114 LEU 115 LEU 116 PRO 117 LYS 118 LYS 119 THR 120 GLU 121 LYS 122 LYS 123 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 $H2A-Nucleosome '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 $H2A-Nucleosome 'recombinant technology' . Escherichia coli . pET-21 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 $H2A-Nucleosome 2 mg '[U-100% 13C; U-100% 15N; U-80% 2H]' $H2A-Nucleosome 250 ug '[U-100% 13C; U-100% 15N; U-80% 2H]' H2B-Nucleosome 250 ug 'natural abundance' H3-Nucleosome 250 ug 'natural abundance' H4-Nucleosome 250 ug 'natural abundance' 601DNA-Nucleosome 1000 ug 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 8.9 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.13 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_CANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CANH' _Sample_label $sample_1 save_ save_3D_CA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CA(CO)NH' _Sample_label $sample_1 save_ save_3D_CONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CONH' _Sample_label $sample_1 save_ save_3D_CO(CA)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CO(CA)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' 30 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . 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 0.00 . indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1.000000000 water N 15 protons ppm 0.00 . 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 CANH' '3D CA(CO)NH' '3D CONH' '3D CO(CA)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 H2A _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 17 17 SER C C 175.714 0.8 1 2 18 18 ASN H H 8.322 0.1 1 3 18 18 ASN C C 175.435 0.8 1 4 18 18 ASN CA C 52.316 0.8 1 5 18 18 ASN N N 122.942 0.7 1 6 19 19 ARG H H 7.888 0.1 1 7 19 19 ARG C C 176.600 0.8 1 8 19 19 ARG CA C 55.816 0.8 1 9 19 19 ARG N N 121.604 0.7 1 10 20 20 ALA H H 7.556 0.1 1 11 20 20 ALA C C 175.525 0.8 1 12 20 20 ALA CA C 51.168 0.8 1 13 20 20 ALA N N 116.084 0.7 1 14 21 21 GLY H H 7.720 0.1 1 15 21 21 GLY C C 174.412 0.8 1 16 21 21 GLY CA C 45.609 0.8 1 17 21 21 GLY N N 106.207 0.7 1 18 22 22 LEU H H 8.172 0.1 1 19 22 22 LEU C C 176.767 0.8 1 20 22 22 LEU CA C 53.395 0.8 1 21 22 22 LEU N N 118.271 0.7 1 22 23 23 GLN H H 11.145 0.1 1 23 23 23 GLN C C 177.767 0.8 1 24 23 23 GLN CA C 55.197 0.8 1 25 23 23 GLN N N 119.572 0.7 1 26 24 24 PHE H H 8.747 0.1 1 27 24 24 PHE C C 174.700 0.8 1 28 24 24 PHE CA C 57.217 0.8 1 29 24 24 PHE N N 121.196 0.7 1 30 25 25 PRO C C 174.975 0.8 1 31 25 25 PRO CA C 61.190 0.8 1 32 26 26 VAL H H 7.919 0.1 1 33 26 26 VAL C C 177.300 0.8 1 34 26 26 VAL CA C 66.716 0.8 1 35 26 26 VAL N N 127.822 0.7 1 36 27 27 GLY H H 8.909 0.1 1 37 27 27 GLY C C 177.108 0.8 1 38 27 27 GLY CA C 47.439 0.8 1 39 27 27 GLY N N 107.577 0.7 1 40 28 28 ARG H H 8.308 0.1 1 41 28 28 ARG C C 177.401 0.8 1 42 28 28 ARG CA C 59.116 0.8 1 43 28 28 ARG N N 124.451 0.7 1 44 29 29 ILE H H 7.938 0.1 1 45 29 29 ILE C C 177.414 0.8 1 46 29 29 ILE CA C 65.413 0.8 1 47 29 29 ILE N N 118.946 0.7 1 48 30 30 HIS H H 8.856 0.1 1 49 30 30 HIS C C 177.290 0.8 1 50 30 30 HIS CA C 58.898 0.8 1 51 30 30 HIS N N 121.013 0.7 1 52 31 31 ARG H H 7.888 0.1 1 53 31 31 ARG C C 179.916 0.8 1 54 31 31 ARG CA C 58.294 0.8 1 55 31 31 ARG N N 118.805 0.7 1 56 32 32 LEU H H 8.230 0.1 1 57 32 32 LEU C C 181.799 0.8 1 58 32 32 LEU CA C 57.150 0.8 1 59 32 32 LEU N N 121.274 0.7 1 60 33 33 LEU H H 8.654 0.1 1 61 33 33 LEU C C 179.275 0.8 1 62 33 33 LEU CA C 57.390 0.8 1 63 33 33 LEU N N 120.146 0.7 1 64 34 34 ARG H H 8.301 0.1 1 65 34 34 ARG C C 179.848 0.8 1 66 34 34 ARG CA C 59.252 0.8 1 67 34 34 ARG N N 119.286 0.7 1 68 35 35 LYS H H 8.767 0.1 1 69 35 35 LYS C C 177.810 0.8 1 70 35 35 LYS CA C 56.259 0.8 1 71 35 35 LYS N N 117.632 0.7 1 72 36 36 GLY H H 7.461 0.1 1 73 36 36 GLY C C 173.054 0.8 1 74 36 36 GLY CA C 44.806 0.8 1 75 36 36 GLY N N 104.283 0.7 1 76 37 37 ASN H H 8.002 0.1 1 77 37 37 ASN C C 177.966 0.8 1 78 37 37 ASN CA C 53.256 0.8 1 79 37 37 ASN N N 116.193 0.7 1 80 38 38 TYR H H 7.219 0.1 1 81 38 38 TYR C C 176.291 0.8 1 82 38 38 TYR CA C 60.748 0.8 1 83 38 38 TYR N N 119.193 0.7 1 84 39 39 ALA H H 8.149 0.1 1 85 39 39 ALA C C 175.692 0.8 1 86 39 39 ALA CA C 50.971 0.8 1 87 39 39 ALA N N 119.150 0.7 1 88 40 40 GLU H H 8.538 0.1 1 89 40 40 GLU C C 176.971 0.8 1 90 40 40 GLU CA C 58.897 0.8 1 91 40 40 GLU N N 120.046 0.7 1 92 41 41 ARG H H 8.080 0.1 1 93 41 41 ARG C C 174.687 0.8 1 94 41 41 ARG CA C 53.385 0.8 1 95 41 41 ARG N N 113.954 0.7 1 96 42 42 VAL H H 9.619 0.1 1 97 42 42 VAL C C 175.597 0.8 1 98 42 42 VAL CA C 60.890 0.8 1 99 42 42 VAL N N 122.725 0.7 1 100 43 43 GLY H H 9.053 0.1 1 101 43 43 GLY C C 174.901 0.8 1 102 43 43 GLY CA C 44.891 0.8 1 103 43 43 GLY N N 114.103 0.7 1 104 44 44 ALA H H 9.035 0.1 1 105 44 44 ALA C C 179.741 0.8 1 106 44 44 ALA CA C 54.996 0.8 1 107 44 44 ALA N N 123.203 0.7 1 108 45 45 GLY H H 8.467 0.1 1 109 45 45 GLY C C 175.535 0.8 1 110 45 45 GLY CA C 45.070 0.8 1 111 45 45 GLY N N 100.925 0.7 1 112 46 46 ALA H H 7.429 0.1 1 113 46 46 ALA C C 176.800 0.8 1 114 46 46 ALA CA C 55.892 0.8 1 115 46 46 ALA N N 122.717 0.7 1 116 47 47 PRO C C 176.954 0.8 1 117 47 47 PRO CA C 64.750 0.8 1 118 48 48 VAL H H 5.959 0.1 1 119 48 48 VAL C C 175.327 0.8 1 120 48 48 VAL CA C 65.594 0.8 1 121 48 48 VAL N N 117.809 0.7 1 122 49 49 TYR H H 7.705 0.1 1 123 49 49 TYR C C 179.072 0.8 1 124 49 49 TYR CA C 59.979 0.8 1 125 49 49 TYR N N 119.458 0.7 1 126 50 50 LEU H H 7.963 0.1 1 127 50 50 LEU C C 177.661 0.8 1 128 50 50 LEU CA C 57.120 0.8 1 129 50 50 LEU N N 117.002 0.7 1 130 51 51 ALA H H 8.155 0.1 1 131 51 51 ALA C C 178.854 0.8 1 132 51 51 ALA CA C 55.020 0.8 1 133 51 51 ALA N N 119.589 0.7 1 134 52 52 ALA H H 7.635 0.1 1 135 52 52 ALA C C 180.416 0.8 1 136 52 52 ALA CA C 54.234 0.8 1 137 52 52 ALA N N 117.705 0.7 1 138 53 53 VAL H H 7.820 0.1 1 139 53 53 VAL C C 177.238 0.8 1 140 53 53 VAL CA C 66.627 0.8 1 141 53 53 VAL N N 118.701 0.7 1 142 54 54 MET H H 8.288 0.1 1 143 54 54 MET C C 176.349 0.8 1 144 54 54 MET CA C 59.268 0.8 1 145 54 54 MET N N 118.759 0.7 1 146 55 55 GLU H H 7.865 0.1 1 147 55 55 GLU C C 176.960 0.8 1 148 55 55 GLU CA C 59.199 0.8 1 149 55 55 GLU N N 118.861 0.7 1 150 56 56 TYR H H 7.700 0.1 1 151 56 56 TYR C C 176.950 0.8 1 152 56 56 TYR CA C 60.119 0.8 1 153 56 56 TYR N N 118.310 0.7 1 154 57 57 LEU H H 7.994 0.1 1 155 57 57 LEU C C 179.245 0.8 1 156 57 57 LEU CA C 57.186 0.8 1 157 57 57 LEU N N 117.099 0.7 1 158 58 58 ALA H H 8.102 0.1 1 159 58 58 ALA C C 178.383 0.8 1 160 58 58 ALA CA C 55.260 0.8 1 161 58 58 ALA N N 119.118 0.7 1 162 59 59 ALA H H 8.590 0.1 1 163 59 59 ALA C C 179.265 0.8 1 164 59 59 ALA CA C 55.338 0.8 1 165 59 59 ALA N N 120.009 0.7 1 166 60 60 GLU H H 8.133 0.1 1 167 60 60 GLU C C 178.658 0.8 1 168 60 60 GLU CA C 58.777 0.8 1 169 60 60 GLU N N 119.450 0.7 1 170 61 61 VAL H H 7.605 0.1 1 171 61 61 VAL C C 178.079 0.8 1 172 61 61 VAL CA C 66.759 0.8 1 173 61 61 VAL N N 116.366 0.7 1 174 62 62 LEU H H 8.592 0.1 1 175 62 62 LEU C C 179.907 0.8 1 176 62 62 LEU CA C 57.590 0.8 1 177 62 62 LEU N N 117.876 0.7 1 178 63 63 GLU H H 8.999 0.1 1 179 63 63 GLU C C 180.256 0.8 1 180 63 63 GLU CA C 58.956 0.8 1 181 63 63 GLU N N 122.097 0.7 1 182 64 64 LEU H H 7.583 0.1 1 183 64 64 LEU C C 180.762 0.8 1 184 64 64 LEU CA C 57.317 0.8 1 185 64 64 LEU N N 119.036 0.7 1 186 65 65 ALA H H 9.495 0.1 1 187 65 65 ALA C C 179.728 0.8 1 188 65 65 ALA CA C 54.359 0.8 1 189 65 65 ALA N N 124.497 0.7 1 190 66 66 GLY H H 8.759 0.1 1 191 66 66 GLY C C 176.203 0.8 1 192 66 66 GLY CA C 45.483 0.8 1 193 66 66 GLY N N 105.591 0.7 1 194 67 67 ASN H H 8.123 0.1 1 195 67 67 ASN C C 176.814 0.8 1 196 67 67 ASN CA C 55.324 0.8 1 197 67 67 ASN N N 118.310 0.7 1 198 68 68 ALA H H 7.429 0.1 1 199 68 68 ALA C C 180.036 0.8 1 200 68 68 ALA CA C 54.803 0.8 1 201 68 68 ALA N N 122.717 0.7 1 202 69 69 ALA H H 7.877 0.1 1 203 69 69 ALA C C 179.427 0.8 1 204 69 69 ALA CA C 54.879 0.8 1 205 69 69 ALA N N 122.809 0.7 1 206 70 70 ARG H H 7.622 0.1 1 207 70 70 ARG C C 181.472 0.8 1 208 70 70 ARG CA C 58.642 0.8 1 209 70 70 ARG N N 118.882 0.7 1 210 71 71 ASP H H 8.322 0.1 1 211 71 71 ASP C C 176.846 0.8 1 212 71 71 ASP CA C 56.627 0.8 1 213 71 71 ASP N N 121.942 0.7 1 214 72 72 ASN H H 7.296 0.1 1 215 72 72 ASN C C 173.086 0.8 1 216 72 72 ASN CA C 52.535 0.8 1 217 72 72 ASN N N 116.435 0.7 1 218 73 73 LYS H H 8.113 0.1 1 219 73 73 LYS C C 175.185 0.8 1 220 73 73 LYS CA C 57.239 0.8 1 221 73 73 LYS N N 115.003 0.7 1 222 74 74 LYS H H 7.966 0.1 1 223 74 74 LYS C C 176.505 0.8 1 224 74 74 LYS CA C 52.464 0.8 1 225 74 74 LYS N N 116.987 0.7 1 226 75 75 THR H H 8.814 0.1 1 227 75 75 THR C C 173.916 0.8 1 228 75 75 THR CA C 63.159 0.8 1 229 75 75 THR N N 114.956 0.7 1 230 76 76 ARG H H 7.786 0.1 1 231 76 76 ARG C C 175.281 0.8 1 232 76 76 ARG CA C 54.268 0.8 1 233 76 76 ARG N N 118.076 0.7 1 234 77 77 ILE H H 8.241 0.1 1 235 77 77 ILE C C 175.425 0.8 1 236 77 77 ILE CA C 61.340 0.8 1 237 77 77 ILE N N 124.083 0.7 1 238 78 78 ILE H H 8.879 0.1 1 239 78 78 ILE C C 175.700 0.8 1 240 78 78 ILE CA C 58.878 0.8 1 241 78 78 ILE N N 123.478 0.7 1 242 79 79 PRO C C 177.301 0.8 1 243 79 79 PRO CA C 66.980 0.8 1 244 80 80 ARG H H 8.144 0.1 1 245 80 80 ARG C C 177.769 0.8 1 246 80 80 ARG CA C 57.263 0.8 1 247 80 80 ARG N N 114.765 0.7 1 248 81 81 HIS H H 8.328 0.1 1 249 81 81 HIS C C 178.720 0.8 1 250 81 81 HIS CA C 57.658 0.8 1 251 81 81 HIS N N 117.469 0.7 1 252 82 82 LEU H H 8.309 0.1 1 253 82 82 LEU C C 177.311 0.8 1 254 82 82 LEU CA C 57.557 0.8 1 255 82 82 LEU N N 115.597 0.7 1 256 83 83 GLN H H 7.856 0.1 1 257 83 83 GLN C C 178.613 0.8 1 258 83 83 GLN CA C 59.532 0.8 1 259 83 83 GLN N N 120.488 0.7 1 260 84 84 LEU H H 8.811 0.1 1 261 84 84 LEU C C 178.531 0.8 1 262 84 84 LEU CA C 57.611 0.8 1 263 84 84 LEU N N 119.470 0.7 1 264 85 85 ALA H H 7.640 0.1 1 265 85 85 ALA C C 179.287 0.8 1 266 85 85 ALA CA C 53.944 0.8 1 267 85 85 ALA N N 118.466 0.7 1 268 86 86 ILE H H 7.962 0.1 1 269 86 86 ILE C C 176.959 0.8 1 270 86 86 ILE CA C 64.088 0.8 1 271 86 86 ILE N N 113.657 0.7 1 272 87 87 ARG H H 8.211 0.1 1 273 87 87 ARG C C 178.218 0.8 1 274 87 87 ARG CA C 55.317 0.8 1 275 87 87 ARG N N 110.113 0.7 1 276 88 88 ASN H H 7.318 0.1 1 277 88 88 ASN C C 173.649 0.8 1 278 88 88 ASN CA C 53.647 0.8 1 279 88 88 ASN N N 113.674 0.7 1 280 89 89 ASP H H 7.139 0.1 1 281 89 89 ASP C C 174.446 0.8 1 282 89 89 ASP CA C 53.218 0.8 1 283 89 89 ASP N N 121.680 0.7 1 284 90 90 GLU H H 8.793 0.1 1 285 90 90 GLU C C 176.851 0.8 1 286 90 90 GLU CA C 59.636 0.8 1 287 90 90 GLU N N 125.779 0.7 1 288 91 91 GLU H H 7.954 0.1 1 289 91 91 GLU C C 179.063 0.8 1 290 91 91 GLU CA C 59.884 0.8 1 291 91 91 GLU N N 116.948 0.7 1 292 92 92 LEU H H 9.389 0.1 1 293 92 92 LEU C C 178.746 0.8 1 294 92 92 LEU CA C 57.818 0.8 1 295 92 92 LEU N N 122.068 0.7 1 296 93 93 ASN H H 8.706 0.1 1 297 93 93 ASN C C 177.501 0.8 1 298 93 93 ASN CA C 56.395 0.8 1 299 93 93 ASN N N 116.836 0.7 1 300 94 94 LYS H H 7.142 0.1 1 301 94 94 LYS C C 178.171 0.8 1 302 94 94 LYS CA C 58.440 0.8 1 303 94 94 LYS N N 116.285 0.7 1 304 95 95 LEU H H 7.035 0.1 1 305 95 95 LEU C C 176.955 0.8 1 306 95 95 LEU CA C 57.728 0.8 1 307 95 95 LEU N N 115.757 0.7 1 308 96 96 LEU H H 7.139 0.1 1 309 96 96 LEU CA C 57.755 0.8 1 310 96 96 LEU N N 115.976 0.7 1 311 98 98 GLY C C 173.979 0.8 1 312 99 99 VAL H H 7.265 0.1 1 313 99 99 VAL C C 176.367 0.8 1 314 99 99 VAL CA C 60.612 0.8 1 315 99 99 VAL N N 120.297 0.7 1 316 100 100 THR H H 8.931 0.1 1 317 100 100 THR C C 172.795 0.8 1 318 100 100 THR CA C 61.214 0.8 1 319 100 100 THR N N 124.381 0.7 1 320 101 101 ILE H H 8.815 0.1 1 321 101 101 ILE C C 175.057 0.8 1 322 101 101 ILE CA C 59.546 0.8 1 323 101 101 ILE N N 127.922 0.7 1 324 102 102 ALA H H 7.484 0.1 1 325 102 102 ALA C C 175.748 0.8 1 326 102 102 ALA CA C 52.755 0.8 1 327 102 102 ALA N N 131.638 0.7 1 328 103 103 GLN H H 8.920 0.1 1 329 103 103 GLN C C 175.464 0.8 1 330 103 103 GLN CA C 56.404 0.8 1 331 103 103 GLN N N 111.787 0.7 1 332 104 104 GLY H H 7.944 0.1 1 333 104 104 GLY C C 174.899 0.8 1 334 104 104 GLY CA C 45.733 0.8 1 335 104 104 GLY N N 102.777 0.7 1 336 105 105 GLY H H 8.510 0.1 1 337 105 105 GLY C C 173.220 0.8 1 338 105 105 GLY CA C 44.167 0.8 1 339 105 105 GLY N N 107.058 0.7 1 340 106 106 VAL H H 9.661 0.1 1 341 106 106 VAL C C 175.600 0.8 1 342 106 106 VAL CA C 58.364 0.8 1 343 106 106 VAL N N 114.064 0.7 1 344 108 108 PRO C C 177.101 0.8 1 345 108 108 PRO CA C 63.110 0.8 1 346 109 109 ASN H H 8.721 0.1 1 347 109 109 ASN C C 172.751 0.8 1 348 109 109 ASN CA C 54.504 0.8 1 349 109 109 ASN N N 122.597 0.7 1 350 110 110 ILE H H 8.135 0.1 1 351 110 110 ILE C C 175.948 0.8 1 352 110 110 ILE CA C 59.779 0.8 1 353 110 110 ILE N N 126.165 0.7 1 354 111 111 GLN H H 8.935 0.1 1 355 111 111 GLN C C 177.214 0.8 1 356 111 111 GLN CA C 55.404 0.8 1 357 111 111 GLN N N 126.682 0.7 1 358 112 112 ALA H H 8.398 0.1 1 359 112 112 ALA C C 180.300 0.8 1 360 112 112 ALA CA C 55.265 0.8 1 361 112 112 ALA N N 125.476 0.7 1 362 118 118 LYS C C 180.320 0.8 1 363 118 118 LYS CA C 55.220 0.8 1 364 119 119 THR H H 7.960 0.1 1 365 119 119 THR CA C 62.935 0.8 1 366 119 119 THR N N 112.458 0.7 1 stop_ save_