data_11584 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for c-Myb R2R3 C130I ; _BMRB_accession_number 11584 _BMRB_flat_file_name bmr11584.str _Entry_type original _Submission_date 2014-11-28 _Accession_date 2014-11-28 _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 Inaba Satomi . . 2 Ikegami Takahisa . . 3 Oda Masayuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 90 "13C chemical shifts" 195 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-09 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 11585 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for c-Myb R2R3 V103L/C130I' stop_ _Original_release_date 2015-12-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular strategy of c-Myb DNA-binding domain for function: Low-populated unfolding species revealed from temperature-dependent (NMR) studies ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Inaba Satomi . . 2 Maeno Akihiro . . 3 Sakurai Kazumasa . . 4 Puthenpurackal Sunilkumar Narayanan . 5 Ikegami Takahisa . . 6 Akasaka Kazuyuki . . 7 Oda Masayuki . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'c-Myb R2R3 C130I' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'R2R3 C130I' $c-Myb_R2R3_C130I 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_c-Myb_R2R3_C130I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common c-Myb_R2R3_C130I _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; LIKGPWTKEEDQRVIKLVQK YGPKRWSVIAKHLKGRIGKQ IRERWHNHLNPEVKKTSWTE EEDRIIYQAHKRLGNRWAEI AKLLPGRTDNAIKNHWNSTM RRKV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 LEU 2 91 ILE 3 92 LYS 4 93 GLY 5 94 PRO 6 95 TRP 7 96 THR 8 97 LYS 9 98 GLU 10 99 GLU 11 100 ASP 12 101 GLN 13 102 ARG 14 103 VAL 15 104 ILE 16 105 LYS 17 106 LEU 18 107 VAL 19 108 GLN 20 109 LYS 21 110 TYR 22 111 GLY 23 112 PRO 24 113 LYS 25 114 ARG 26 115 TRP 27 116 SER 28 117 VAL 29 118 ILE 30 119 ALA 31 120 LYS 32 121 HIS 33 122 LEU 34 123 LYS 35 124 GLY 36 125 ARG 37 126 ILE 38 127 GLY 39 128 LYS 40 129 GLN 41 130 ILE 42 131 ARG 43 132 GLU 44 133 ARG 45 134 TRP 46 135 HIS 47 136 ASN 48 137 HIS 49 138 LEU 50 139 ASN 51 140 PRO 52 141 GLU 53 142 VAL 54 143 LYS 55 144 LYS 56 145 THR 57 146 SER 58 147 TRP 59 148 THR 60 149 GLU 61 150 GLU 62 151 GLU 63 152 ASP 64 153 ARG 65 154 ILE 66 155 ILE 67 156 TYR 68 157 GLN 69 158 ALA 70 159 HIS 71 160 LYS 72 161 ARG 73 162 LEU 74 163 GLY 75 164 ASN 76 165 ARG 77 166 TRP 78 167 ALA 79 168 GLU 80 169 ILE 81 170 ALA 82 171 LYS 83 172 LEU 84 173 LEU 85 174 PRO 86 175 GLY 87 176 ARG 88 177 THR 89 178 ASP 90 179 ASN 91 180 ALA 92 181 ILE 93 182 LYS 94 183 ASN 95 184 HIS 96 185 TRP 97 186 ASN 98 187 SER 99 188 THR 100 189 MET 101 190 ARG 102 191 ARG 103 192 LYS 104 193 VAL 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 $c-Myb_R2R3_C130I Mouse 10090 Eukaryota Metazoa Mus musculus 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 $c-Myb_R2R3_C130I 'recombinant technology' . Escherichia coli . pAR 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 $c-Myb_R2R3_C130I 0.5 mM '[U-100% 13C; U-100% 15N]' TRIS 25 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % U-2H stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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' 55 . mM pH 7.5 . pH pressure 1 . atm temperature 293 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCACO' 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 'R2R3 C130I' _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 90 1 LEU H H 8.344 0.01 1 2 90 1 LEU C C 177.038 0.25 1 3 90 1 LEU CA C 54.88 0.25 1 4 90 1 LEU N N 124.292 0.1 1 5 91 2 ILE H H 8.534 0.01 1 6 91 2 ILE C C 176.325 0.25 1 7 91 2 ILE CA C 61.14 0.25 1 8 91 2 ILE N N 123.842 0.1 1 9 92 3 LYS H H 8.562 0.01 1 10 92 3 LYS C C 176.574 0.25 1 11 92 3 LYS CA C 56.011 0.25 1 12 92 3 LYS N N 126.14 0.1 1 13 93 4 GLY H H 7.949 0.01 1 14 93 4 GLY C C 171.569 0.25 1 15 93 4 GLY CA C 44.531 0.25 1 16 93 4 GLY N N 109.112 0.1 1 17 94 5 PRO C C 176.883 0.25 1 18 94 5 PRO CA C 62.841 0.25 1 19 95 6 TRP H H 8.441 0.01 1 20 95 6 TRP C C 178.087 0.25 1 21 95 6 TRP CA C 58.106 0.25 1 22 95 6 TRP N N 123.02 0.1 1 23 96 7 THR H H 8.503 0.01 1 24 96 7 THR C C 175.104 0.25 1 25 96 7 THR CA C 59.935 0.25 1 26 96 7 THR N N 116.028 0.1 1 27 97 8 LYS H H 8.87 0.01 1 28 97 8 LYS C C 179.212 0.25 1 29 97 8 LYS CA C 59.615 0.25 1 30 97 8 LYS N N 121.656 0.1 1 31 98 9 GLU H H 8.666 0.01 1 32 98 9 GLU C C 179.561 0.25 1 33 98 9 GLU CA C 60.132 0.25 1 34 98 9 GLU N N 118.511 0.1 1 35 99 10 GLU H H 7.885 0.01 1 36 99 10 GLU C C 178.491 0.25 1 37 99 10 GLU CA C 60.351 0.25 1 38 99 10 GLU N N 121.726 0.1 1 39 100 11 ASP H H 8.547 0.01 1 40 100 11 ASP C C 178.888 0.25 1 41 100 11 ASP CA C 57.79 0.25 1 42 100 11 ASP N N 120.559 0.1 1 43 101 12 GLN H H 8.197 0.01 1 44 101 12 GLN C C 179.038 0.25 1 45 101 12 GLN CA C 58.779 0.25 1 46 101 12 GLN N N 116.231 0.1 1 47 102 13 ARG H H 7.963 0.01 1 48 102 13 ARG C C 178.795 0.25 1 49 102 13 ARG CA C 59.788 0.25 1 50 102 13 ARG N N 120.508 0.1 1 51 103 14 VAL H H 8.694 0.01 1 52 103 14 VAL C C 177.353 0.25 1 53 103 14 VAL CA C 68.459 0.25 1 54 103 14 VAL N N 119.766 0.1 1 55 104 15 ILE H H 8.239 0.01 1 56 104 15 ILE CA C 66.606 0.25 1 57 104 15 ILE N N 118.707 0.1 1 58 105 16 LYS C C 179.921 0.25 1 59 105 16 LYS CA C 59.084 0.25 1 60 106 17 LEU H H 8.601 0.01 1 61 106 17 LEU C C 178.966 0.25 1 62 106 17 LEU CA C 58.03 0.25 1 63 106 17 LEU N N 121.581 0.1 1 64 107 18 VAL H H 8.913 0.01 1 65 107 18 VAL C C 179.692 0.25 1 66 107 18 VAL CA C 65.854 0.25 1 67 107 18 VAL N N 122.368 0.1 1 68 108 19 GLN H H 7.825 0.01 1 69 108 19 GLN C C 177.201 0.25 1 70 108 19 GLN CA C 59.207 0.25 1 71 108 19 GLN N N 120.445 0.1 1 72 109 20 LYS H H 7.251 0.01 1 73 109 20 LYS C C 177.77 0.25 1 74 109 20 LYS CA C 58.883 0.25 1 75 109 20 LYS N N 117.739 0.1 1 76 110 21 TYR H H 8.563 0.01 1 77 110 21 TYR C C 177.039 0.25 1 78 110 21 TYR CA C 59.657 0.25 1 79 110 21 TYR N N 115.087 0.1 1 80 111 22 GLY H H 8.142 0.01 1 81 111 22 GLY C C 171.023 0.25 1 82 111 22 GLY CA C 44.282 0.25 1 83 111 22 GLY N N 110.728 0.1 1 84 112 23 PRO C C 174.584 0.25 1 85 112 23 PRO CA C 62.428 0.25 1 86 113 24 LYS H H 7.774 0.01 1 87 113 24 LYS C C 175.939 0.25 1 88 113 24 LYS CA C 55.647 0.25 1 89 113 24 LYS N N 118.275 0.1 1 90 114 25 ARG C C 177.155 0.25 1 91 114 25 ARG CA C 54.7 0.25 1 92 115 26 TRP H H 7.045 0.01 1 93 115 26 TRP C C 177.97 0.25 1 94 115 26 TRP CA C 59.598 0.25 1 95 115 26 TRP N N 120.674 0.1 1 96 116 27 SER C C 176.552 0.25 1 97 116 27 SER CA C 61.404 0.25 1 98 117 28 VAL H H 7.281 0.01 1 99 117 28 VAL C C 178.185 0.25 1 100 117 28 VAL CA C 65.65 0.25 1 101 117 28 VAL N N 124.093 0.1 1 102 118 29 ILE H H 7.449 0.01 1 103 118 29 ILE C C 177.984 0.25 1 104 118 29 ILE CA C 66.169 0.25 1 105 118 29 ILE N N 119.654 0.1 1 106 119 30 ALA H H 8.295 0.01 1 107 119 30 ALA C C 178.987 0.25 1 108 119 30 ALA CA C 55.14 0.25 1 109 119 30 ALA N N 118.771 0.1 1 110 120 31 LYS H H 7.257 0.01 1 111 120 31 LYS C C 177.7 0.25 1 112 120 31 LYS CA C 58.424 0.25 1 113 120 31 LYS N N 116.331 0.1 1 114 121 32 HIS H H 7.652 0.01 1 115 121 32 HIS C C 175.024 0.25 1 116 121 32 HIS CA C 57.216 0.25 1 117 121 32 HIS N N 115.549 0.1 1 118 122 33 LEU H H 7.792 0.01 1 119 122 33 LEU C C 174.529 0.25 1 120 122 33 LEU CA C 54.119 0.25 1 121 122 33 LEU N N 124.827 0.1 1 122 123 34 LYS H H 7.938 0.01 1 123 123 34 LYS C C 177.729 0.25 1 124 123 34 LYS CA C 57.739 0.25 1 125 123 34 LYS N N 118.844 0.1 1 126 124 35 GLY H H 8.698 0.01 1 127 124 35 GLY C C 173.296 0.25 1 128 124 35 GLY CA C 45.799 0.25 1 129 124 35 GLY N N 110.878 0.1 1 130 125 36 ARG H H 7.601 0.01 1 131 125 36 ARG C C 175.759 0.25 1 132 125 36 ARG CA C 52.5 0.25 1 133 125 36 ARG N N 116.536 0.1 1 134 126 37 ILE H H 8.324 0.01 1 135 126 37 ILE C C 178.106 0.25 1 136 126 37 ILE CA C 60.086 0.25 1 137 126 37 ILE N N 115.362 0.1 1 138 127 38 GLY H H 9.313 0.01 1 139 127 38 GLY C C 175.524 0.25 1 140 127 38 GLY CA C 48.865 0.25 1 141 127 38 GLY N N 112.284 0.1 1 142 128 39 LYS H H 8.683 0.01 1 143 128 39 LYS C C 178.357 0.25 1 144 128 39 LYS CA C 59.735 0.25 1 145 128 39 LYS N N 119.401 0.1 1 146 129 40 GLN H H 7.208 0.01 1 147 129 40 GLN C C 179.313 0.25 1 148 129 40 GLN CA C 58.146 0.25 1 149 129 40 GLN N N 115.892 0.1 1 150 130 41 ILE H H 7.916 0.01 1 151 130 41 ILE C C 176.022 0.25 1 152 130 41 ILE CA C 65.232 0.25 1 153 130 41 ILE N N 121.856 0.1 1 154 131 42 ARG H H 7.954 0.01 1 155 131 42 ARG C C 177.863 0.25 1 156 131 42 ARG CA C 58.725 0.25 1 157 131 42 ARG N N 120.507 0.1 1 158 132 43 GLU H H 7.38 0.01 1 159 132 43 GLU C C 177.981 0.25 1 160 132 43 GLU CA C 59.31 0.25 1 161 132 43 GLU N N 116.453 0.1 1 162 133 44 ARG H H 7.673 0.01 1 163 133 44 ARG C C 179.274 0.25 1 164 133 44 ARG CA C 57.974 0.25 1 165 133 44 ARG N N 120.709 0.1 1 166 140 51 PRO C C 177.566 0.25 1 167 140 51 PRO CA C 64.053 0.25 1 168 141 52 GLU H H 7.662 0.01 1 169 141 52 GLU C C 177.097 0.25 1 170 141 52 GLU CA C 57.127 0.25 1 171 141 52 GLU N N 117.478 0.1 1 172 142 53 VAL H H 7.623 0.01 1 173 142 53 VAL C C 176.29 0.25 1 174 142 53 VAL CA C 62.906 0.25 1 175 142 53 VAL N N 119.588 0.1 1 176 143 54 LYS H H 8.099 0.01 1 177 143 54 LYS C C 176.702 0.25 1 178 143 54 LYS CA C 56.387 0.25 1 179 143 54 LYS N N 124.274 0.1 1 180 144 55 LYS H H 8.244 0.01 1 181 144 55 LYS C C 176.813 0.25 1 182 144 55 LYS CA C 56.373 0.25 1 183 144 55 LYS N N 122.344 0.1 1 184 145 56 THR H H 7.996 0.01 1 185 145 56 THR C C 174.642 0.25 1 186 145 56 THR CA C 61.385 0.25 1 187 145 56 THR N N 113.179 0.1 1 188 146 57 SER H H 8.142 0.01 1 189 146 57 SER C C 173.577 0.25 1 190 146 57 SER CA C 58.411 0.25 1 191 146 57 SER N N 118.615 0.1 1 192 147 58 TRP H H 8.375 0.01 1 193 147 58 TRP C C 177.635 0.25 1 194 147 58 TRP CA C 56.593 0.25 1 195 147 58 TRP N N 125.066 0.1 1 196 148 59 THR H H 9.42 0.01 1 197 148 59 THR C C 174.977 0.25 1 198 148 59 THR CA C 60.572 0.25 1 199 148 59 THR N N 117.262 0.1 1 200 149 60 GLU H H 8.973 0.01 1 201 149 60 GLU C C 179.3 0.25 1 202 149 60 GLU CA C 59.764 0.25 1 203 149 60 GLU N N 120.565 0.1 1 204 150 61 GLU H H 8.397 0.01 1 205 150 61 GLU C C 178.658 0.25 1 206 150 61 GLU CA C 59.581 0.25 1 207 150 61 GLU N N 119.351 0.1 1 208 151 62 GLU H H 8.009 0.01 1 209 151 62 GLU C C 178.571 0.25 1 210 151 62 GLU CA C 60.507 0.25 1 211 151 62 GLU N N 119.779 0.1 1 212 152 63 ASP H H 8.343 0.01 1 213 152 63 ASP C C 178.739 0.25 1 214 152 63 ASP CA C 57.909 0.25 1 215 152 63 ASP N N 119.184 0.1 1 216 153 64 ARG H H 8.218 0.01 1 217 153 64 ARG C C 179.192 0.25 1 218 153 64 ARG CA C 59.581 0.25 1 219 153 64 ARG N N 120.921 0.1 1 220 154 65 ILE H H 8.225 0.01 1 221 154 65 ILE C C 179.335 0.25 1 222 154 65 ILE CA C 65.526 0.25 1 223 154 65 ILE N N 120.96 0.1 1 224 155 66 ILE H H 8.675 0.01 1 225 155 66 ILE C C 177.165 0.25 1 226 155 66 ILE CA C 66.687 0.25 1 227 155 66 ILE N N 120.137 0.1 1 228 156 67 TYR H H 8.822 0.01 1 229 156 67 TYR C C 178.98 0.25 1 230 156 67 TYR CA C 62.672 0.25 1 231 156 67 TYR N N 119.345 0.1 1 232 157 68 GLN H H 8.41 0.01 1 233 157 68 GLN C C 178.871 0.25 1 234 157 68 GLN CA C 58.709 0.25 1 235 157 68 GLN N N 116.966 0.1 1 236 158 69 ALA H H 8.686 0.01 1 237 158 69 ALA C C 179.205 0.25 1 238 158 69 ALA CA C 54.883 0.25 1 239 158 69 ALA N N 122.298 0.1 1 240 159 70 HIS H H 9.241 0.01 1 241 159 70 HIS C C 178.778 0.25 1 242 159 70 HIS CA C 60.575 0.25 1 243 159 70 HIS N N 119.863 0.1 1 244 160 71 LYS H H 7.603 0.01 1 245 160 71 LYS C C 177.421 0.25 1 246 160 71 LYS CA C 59.283 0.25 1 247 160 71 LYS N N 119.024 0.1 1 248 161 72 ARG H H 7.009 0.01 1 249 161 72 ARG C C 177.62 0.25 1 250 161 72 ARG CA C 58.002 0.25 1 251 161 72 ARG N N 115.22 0.1 1 252 162 73 LEU H H 8.664 0.01 1 253 162 73 LEU C C 177.865 0.25 1 254 162 73 LEU CA C 55.114 0.25 1 255 162 73 LEU N N 117.337 0.1 1 256 163 74 GLY H H 8.113 0.01 1 257 163 74 GLY C C 173.489 0.25 1 258 163 74 GLY CA C 44.514 0.25 1 259 163 74 GLY N N 110.389 0.1 1 260 164 75 ASN H H 7.829 0.01 1 261 164 75 ASN C C 175.617 0.25 1 262 164 75 ASN CA C 52.156 0.25 1 263 164 75 ASN N N 120.055 0.1 1 264 165 76 ARG H H 7.232 0.01 1 265 165 76 ARG C C 177.372 0.25 1 266 165 76 ARG CA C 53.795 0.25 1 267 165 76 ARG N N 123.62 0.1 1 268 166 77 TRP H H 6.99 0.01 1 269 166 77 TRP C C 177.766 0.25 1 270 166 77 TRP CA C 59.822 0.25 1 271 166 77 TRP N N 122.034 0.1 1 272 167 78 ALA H H 8.828 0.01 1 273 167 78 ALA C C 180.232 0.25 1 274 167 78 ALA CA C 55.256 0.25 1 275 167 78 ALA N N 119.353 0.1 1 276 168 79 GLU H H 7.456 0.01 1 277 168 79 GLU C C 179.56 0.25 1 278 168 79 GLU CA C 58.435 0.25 1 279 168 79 GLU N N 117.127 0.1 1 280 169 80 ILE H H 7.885 0.01 1 281 169 80 ILE C C 177.574 0.25 1 282 169 80 ILE CA C 65.838 0.25 1 283 169 80 ILE N N 121.148 0.1 1 284 170 81 ALA H H 8.329 0.01 1 285 170 81 ALA C C 179.328 0.25 1 286 170 81 ALA CA C 55.189 0.25 1 287 170 81 ALA N N 120.059 0.1 1 288 171 82 LYS H H 6.985 0.01 1 289 171 82 LYS C C 177.933 0.25 1 290 171 82 LYS CA C 58.913 0.25 1 291 171 82 LYS N N 115.151 0.1 1 292 172 83 LEU H H 7.781 0.01 1 293 172 83 LEU C C 176.187 0.25 1 294 172 83 LEU CA C 54.803 0.25 1 295 172 83 LEU N N 116.167 0.1 1 296 173 84 LEU H H 7.347 0.01 1 297 173 84 LEU C C 171.617 0.25 1 298 173 84 LEU CA C 51.758 0.25 1 299 173 84 LEU N N 120.293 0.1 1 300 174 85 PRO C C 178.432 0.25 1 301 174 85 PRO CA C 63.87 0.25 1 302 175 86 GLY H H 8.77 0.01 1 303 175 86 GLY C C 174.116 0.25 1 304 175 86 GLY CA C 45.289 0.25 1 305 175 86 GLY N N 111.513 0.1 1 306 176 87 ARG H H 8.04 0.01 1 307 176 87 ARG C C 175.776 0.25 1 308 176 87 ARG CA C 52.389 0.25 1 309 176 87 ARG N N 118.283 0.1 1 310 177 88 THR H H 7.934 0.01 1 311 177 88 THR C C 174.848 0.25 1 312 177 88 THR CA C 60.02 0.25 1 313 177 88 THR N N 110.98 0.1 1 314 178 89 ASP H H 8.996 0.01 1 315 178 89 ASP C C 178.028 0.25 1 316 178 89 ASP CA C 57.58 0.25 1 317 178 89 ASP N N 120.386 0.1 1 318 179 90 ASN H H 8.819 0.01 1 319 179 90 ASN C C 176.781 0.25 1 320 179 90 ASN CA C 56.215 0.25 1 321 179 90 ASN N N 118.833 0.1 1 322 180 91 ALA H H 8.069 0.01 1 323 180 91 ALA C C 181.501 0.25 1 324 180 91 ALA CA C 55.277 0.25 1 325 180 91 ALA N N 122.831 0.1 1 326 181 92 ILE H H 8.347 0.01 1 327 181 92 ILE C C 176.271 0.25 1 328 181 92 ILE CA C 65.68 0.25 1 329 181 92 ILE N N 119.918 0.1 1 330 182 93 LYS H H 7.895 0.01 1 331 182 93 LYS C C 178.185 0.25 1 332 182 93 LYS CA C 59.042 0.25 1 333 182 93 LYS N N 121.083 0.1 1 334 183 94 ASN H H 8.019 0.01 1 335 183 94 ASN C C 177.899 0.25 1 336 183 94 ASN CA C 55.942 0.25 1 337 183 94 ASN N N 115.45 0.1 1 338 184 95 HIS H H 8.039 0.01 1 339 184 95 HIS C C 177.483 0.25 1 340 184 95 HIS CA C 58.601 0.25 1 341 184 95 HIS N N 121.877 0.1 1 342 185 96 TRP H H 8.929 0.01 1 343 185 96 TRP C C 177.724 0.25 1 344 185 96 TRP CA C 60.672 0.25 1 345 185 96 TRP N N 122.502 0.1 1 346 186 97 ASN H H 8.178 0.01 1 347 186 97 ASN C C 176.854 0.25 1 348 186 97 ASN CA C 55.686 0.25 1 349 186 97 ASN N N 114.549 0.1 1 350 187 98 SER H H 7.893 0.01 1 351 187 98 SER C C 175.38 0.25 1 352 187 98 SER CA C 60.32 0.25 1 353 187 98 SER N N 112.42 0.1 1 354 188 99 THR C C 174.821 0.25 1 355 188 99 THR CA C 63.247 0.25 1 356 189 100 MET H H 7.569 0.01 1 357 189 100 MET C C 176.337 0.25 1 358 189 100 MET CA C 57.001 0.25 1 359 189 100 MET N N 120.455 0.1 1 360 190 101 ARG H H 7.554 0.01 1 361 190 101 ARG C C 175.962 0.25 1 362 190 101 ARG CA C 56.627 0.25 1 363 190 101 ARG N N 120.193 0.1 1 364 191 102 ARG H H 7.895 0.01 1 365 191 102 ARG C C 175.852 0.25 1 366 191 102 ARG CA C 55.932 0.25 1 367 191 102 ARG N N 120.947 0.1 1 368 192 103 LYS H H 8.103 0.01 1 369 192 103 LYS C C 175.504 0.25 1 370 192 103 LYS CA C 56.347 0.25 1 371 192 103 LYS N N 123.063 0.1 1 372 193 104 VAL H H 7.651 0.01 1 373 193 104 VAL C C 180.944 0.25 1 374 193 104 VAL CA C 63.687 0.25 1 375 193 104 VAL N N 125.669 0.1 1 stop_ save_