data_28098 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Spindly C-terminal region of C.elegans (362-479) ; _BMRB_accession_number 28098 _BMRB_flat_file_name bmr28098.str _Entry_type original _Submission_date 2020-03-10 _Accession_date 2020-03-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR characterization of the Cargo binding part of Spindly adaptor protein' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Henen Morkos A. . 2 Vogeli Beat R. . 3 Myers Kyle . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 87 "13C chemical shifts" 172 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-09 original BMRB . stop_ _Original_release_date 2020-03-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Spindly: A dynein adaptor with a significant role in mitotic division ; _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 Henen Morkos A. . 2 Vogeli Beat R. . stop_ _Journal_abbreviation 'Not known' _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 'Spindly C-terminal' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Spindly C-terminal, Disordered part' $Spindly_Cterm 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_Spindly_Cterm _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Spindly_Cterm _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; GPLGSPVVNKDFEHPLLAAP LKTLNNGRPSFFIKPKNVEP MPQLGHSLSSIAVTPQKPAA KFTTRSSIKDDTSEWAERRM KAQAEKKLATPTPRYNYIKL SEPVPKFKPAVLQMPSTSET KEN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 PRO 7 VAL 8 VAL 9 ASN 10 LYS 11 ASP 12 PHE 13 GLU 14 HIS 15 PRO 16 LEU 17 LEU 18 ALA 19 ALA 20 PRO 21 LEU 22 LYS 23 THR 24 LEU 25 ASN 26 ASN 27 GLY 28 ARG 29 PRO 30 SER 31 PHE 32 PHE 33 ILE 34 LYS 35 PRO 36 LYS 37 ASN 38 VAL 39 GLU 40 PRO 41 MET 42 PRO 43 GLN 44 LEU 45 GLY 46 HIS 47 SER 48 LEU 49 SER 50 SER 51 ILE 52 ALA 53 VAL 54 THR 55 PRO 56 GLN 57 LYS 58 PRO 59 ALA 60 ALA 61 LYS 62 PHE 63 THR 64 THR 65 ARG 66 SER 67 SER 68 ILE 69 LYS 70 ASP 71 ASP 72 THR 73 SER 74 GLU 75 TRP 76 ALA 77 GLU 78 ARG 79 ARG 80 MET 81 LYS 82 ALA 83 GLN 84 ALA 85 GLU 86 LYS 87 LYS 88 LEU 89 ALA 90 THR 91 PRO 92 THR 93 PRO 94 ARG 95 TYR 96 ASN 97 TYR 98 ILE 99 LYS 100 LEU 101 SER 102 GLU 103 PRO 104 VAL 105 PRO 106 LYS 107 PHE 108 LYS 109 PRO 110 ALA 111 VAL 112 LEU 113 GLN 114 MET 115 PRO 116 SER 117 THR 118 SER 119 GLU 120 THR 121 LYS 122 GLU 123 ASN 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 $Spindly_Cterm 'C. elegans' 6239 Eukaryota Metazoa Caenorhabditis elegans 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 $Spindly_Cterm 'recombinant technology' . Escherichia coli . pGEX-6P stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '140uM 15N, 13C sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Spindly_Cterm 140 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name \CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . 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 na C 13 'methyl carbon' ppm 0 na direct . . . 1 water H 1 protons ppm 4.62 internal direct . . . 1 na N 15 nitrogen ppm 0 na direct . . . 1 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 HNCO' '3D HNCACB' '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 'Spindly C-terminal, Disordered part' _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 1 1 GLY CA C 45.109 0.000 1 2 1 1 GLY N N 109.791 0.178 1 3 3 3 LEU H H 8.485 0.000 1 4 3 3 LEU CA C 55.272 0.000 1 5 3 3 LEU CB C 42.312 0.000 1 6 3 3 LEU N N 122.234 0.000 1 7 4 4 GLY H H 8.374 0.019 1 8 4 4 GLY CA C 45.077 0.000 1 9 4 4 GLY N N 109.793 0.175 1 10 5 5 SER H H 8.116 0.017 1 11 5 5 SER CA C 56.415 0.000 1 12 5 5 SER CB C 63.301 0.000 1 13 5 5 SER N N 117.017 0.109 1 14 7 7 VAL H H 8.199 0.025 1 15 7 7 VAL CA C 62.274 0.000 1 16 7 7 VAL CB C 32.682 0.000 1 17 7 7 VAL N N 121.206 0.186 1 18 8 8 VAL H H 8.197 0.010 1 19 8 8 VAL CA C 61.869 0.000 1 20 8 8 VAL CB C 32.985 0.000 1 21 8 8 VAL N N 124.574 0.033 1 22 9 9 ASN H H 8.479 0.009 1 23 9 9 ASN CA C 53.049 0.000 1 24 9 9 ASN CB C 39.065 0.000 1 25 9 9 ASN N N 123.170 0.158 1 26 10 10 LYS H H 8.339 0.016 1 27 10 10 LYS CA C 56.510 0.000 1 28 10 10 LYS CB C 32.830 0.000 1 29 10 10 LYS N N 122.656 0.120 1 30 11 11 ASP H H 8.235 0.032 1 31 11 11 ASP CA C 54.619 0.000 1 32 11 11 ASP CB C 40.911 0.000 1 33 11 11 ASP N N 120.855 0.228 1 34 12 12 PHE H H 7.959 0.017 1 35 12 12 PHE CA C 57.688 0.000 1 36 12 12 PHE CB C 39.441 0.000 1 37 12 12 PHE N N 119.457 0.288 1 38 13 13 GLU H H 8.068 0.000 1 39 13 13 GLU CA C 56.365 0.000 1 40 13 13 GLU CB C 30.560 0.000 1 41 13 13 GLU N N 121.512 0.000 1 42 16 16 LEU H H 8.493 0.021 1 43 16 16 LEU CA C 55.244 0.000 1 44 16 16 LEU CB C 42.100 0.000 1 45 16 16 LEU N N 122.337 0.204 1 46 17 17 LEU H H 8.085 0.007 1 47 17 17 LEU CA C 54.896 0.000 1 48 17 17 LEU CB C 42.398 0.000 1 49 17 17 LEU N N 122.570 0.126 1 50 18 18 ALA H H 8.220 0.029 1 51 18 18 ALA CA C 52.288 0.000 1 52 18 18 ALA CB C 19.364 0.000 1 53 18 18 ALA N N 124.606 0.199 1 54 21 21 LEU H H 8.261 0.011 1 55 21 21 LEU CA C 55.247 0.000 1 56 21 21 LEU CB C 42.358 0.000 1 57 21 21 LEU N N 122.323 0.105 1 58 22 22 LYS H H 8.285 0.026 1 59 22 22 LYS CA C 56.293 0.000 1 60 22 22 LYS CB C 33.098 0.000 1 61 22 22 LYS N N 122.283 0.135 1 62 23 23 THR H H 8.041 0.002 1 63 23 23 THR CA C 61.608 0.000 1 64 23 23 THR CB C 69.762 0.000 1 65 23 23 THR N N 115.148 0.025 1 66 24 24 LEU H H 8.214 0.014 1 67 24 24 LEU CA C 55.192 0.000 1 68 24 24 LEU CB C 42.390 0.000 1 69 24 24 LEU N N 123.839 0.133 1 70 25 25 ASN H H 8.493 0.000 1 71 25 25 ASN CA C 53.297 0.000 1 72 25 25 ASN CB C 38.835 0.000 1 73 25 25 ASN N N 119.587 0.000 1 74 26 26 ASN H H 8.403 0.000 1 75 26 26 ASN CA C 53.346 0.000 1 76 26 26 ASN CB C 38.629 0.000 1 77 26 26 ASN N N 119.132 0.000 1 78 27 27 GLY H H 8.312 0.002 1 79 27 27 GLY CA C 45.360 0.000 1 80 27 27 GLY N N 108.375 0.023 1 81 28 28 ARG H H 7.971 0.016 1 82 28 28 ARG CA C 53.862 0.000 1 83 28 28 ARG CB C 30.325 0.000 1 84 28 28 ARG N N 121.542 0.237 1 85 30 30 SER H H 8.257 0.022 1 86 30 30 SER CA C 58.224 0.000 1 87 30 30 SER CB C 63.980 0.000 1 88 30 30 SER N N 116.560 0.127 1 89 31 31 PHE H H 7.971 0.016 1 90 31 31 PHE CA C 57.418 0.000 1 91 31 31 PHE CB C 39.820 0.000 1 92 31 31 PHE N N 121.564 0.212 1 93 32 32 PHE H H 8.070 0.018 1 94 32 32 PHE CA C 57.622 0.000 1 95 32 32 PHE CB C 39.898 0.000 1 96 32 32 PHE N N 121.703 0.042 1 97 33 33 ILE H H 7.926 0.006 1 98 33 33 ILE CA C 60.438 0.000 1 99 33 33 ILE CB C 38.813 0.000 1 100 33 33 ILE N N 124.063 0.027 1 101 34 34 LYS H H 8.265 0.006 1 102 34 34 LYS CA C 54.239 0.000 1 103 34 34 LYS CB C 32.533 0.000 1 104 34 34 LYS N N 127.546 0.058 1 105 36 36 LYS H H 8.367 0.014 1 106 36 36 LYS CA C 56.313 0.000 1 107 36 36 LYS CB C 33.127 0.000 1 108 36 36 LYS N N 121.670 0.155 1 109 37 37 ASN H H 8.422 0.011 1 110 37 37 ASN CA C 53.241 0.000 1 111 37 37 ASN CB C 39.044 0.000 1 112 37 37 ASN N N 119.950 0.069 1 113 38 38 VAL H H 8.097 0.021 1 114 38 38 VAL CA C 61.968 0.000 1 115 38 38 VAL CB C 32.791 0.000 1 116 38 38 VAL N N 120.201 0.216 1 117 39 39 GLU H H 8.402 0.008 1 118 39 39 GLU CA C 54.188 0.000 1 119 39 39 GLU CB C 29.757 0.000 1 120 39 39 GLU N N 126.403 0.018 1 121 43 43 GLN H H 8.511 0.000 1 122 43 43 GLN CA C 55.596 0.000 1 123 43 43 GLN CB C 29.350 0.000 1 124 43 43 GLN N N 120.844 0.000 1 125 44 44 LEU H H 8.261 0.016 1 126 44 44 LEU CA C 55.261 0.000 1 127 44 44 LEU CB C 42.364 0.000 1 128 44 44 LEU N N 123.734 0.045 1 129 45 45 GLY H H 8.397 0.004 1 130 45 45 GLY CA C 45.373 0.000 1 131 45 45 GLY N N 109.560 0.025 1 132 48 48 LEU H H 8.406 0.006 1 133 48 48 LEU CA C 55.369 0.000 1 134 48 48 LEU CB C 42.218 0.000 1 135 48 48 LEU N N 124.313 0.034 1 136 49 49 SER H H 8.240 0.003 1 137 49 49 SER CA C 58.473 0.000 1 138 49 49 SER CB C 63.691 0.000 1 139 49 49 SER N N 115.949 0.083 1 140 50 50 SER H H 8.269 0.029 1 141 50 50 SER CA C 58.359 0.000 1 142 50 50 SER CB C 63.706 0.000 1 143 50 50 SER N N 117.793 0.041 1 144 51 51 ILE H H 7.962 0.000 1 145 51 51 ILE CA C 61.044 0.000 1 146 51 51 ILE CB C 38.752 0.000 1 147 51 51 ILE N N 121.811 0.021 1 148 52 52 ALA H H 8.233 0.005 1 149 52 52 ALA CA C 52.309 0.000 1 150 52 52 ALA CB C 19.317 0.000 1 151 52 52 ALA N N 128.126 0.006 1 152 53 53 VAL H H 8.043 0.006 1 153 53 53 VAL CA C 62.070 0.000 1 154 53 53 VAL CB C 32.849 0.000 1 155 53 53 VAL N N 119.501 0.040 1 156 54 54 THR H H 7.952 0.000 1 157 54 54 THR CA C 58.520 0.000 1 158 54 54 THR CB C 70.538 0.000 1 159 54 54 THR N N 118.023 0.044 1 160 56 56 GLN H H 8.429 0.001 1 161 56 56 GLN CA C 55.585 0.000 1 162 56 56 GLN CB C 29.764 0.000 1 163 56 56 GLN N N 120.910 0.012 1 164 57 57 LYS H H 8.370 0.003 1 165 57 57 LYS CA C 54.158 0.000 1 166 57 57 LYS CB C 32.515 0.000 1 167 57 57 LYS N N 124.254 0.069 1 168 61 61 LYS H H 8.180 0.001 1 169 61 61 LYS CA C 56.233 0.000 1 170 61 61 LYS CB C 33.139 0.000 1 171 61 61 LYS N N 120.366 0.000 1 172 62 62 PHE H H 8.188 0.023 1 173 62 62 PHE CA C 57.463 0.000 1 174 62 62 PHE CB C 39.677 0.000 1 175 62 62 PHE N N 121.151 0.249 1 176 63 63 THR H H 8.093 0.020 1 177 63 63 THR CA C 61.519 0.000 1 178 63 63 THR CB C 69.904 0.000 1 179 63 63 THR N N 116.185 0.048 1 180 64 64 THR H H 8.166 0.001 1 181 64 64 THR CA C 61.751 0.000 1 182 64 64 THR CB C 69.751 0.000 1 183 64 64 THR N N 116.762 0.000 1 184 67 67 SER H H 8.362 0.000 1 185 67 67 SER CA C 58.244 0.000 1 186 67 67 SER CB C 63.741 0.000 1 187 67 67 SER N N 117.982 0.000 1 188 68 68 ILE H H 8.083 0.004 1 189 68 68 ILE CA C 61.322 0.000 1 190 68 68 ILE CB C 38.706 0.000 1 191 68 68 ILE N N 122.494 0.022 1 192 69 69 LYS H H 8.287 0.001 1 193 69 69 LYS CA C 56.283 0.000 1 194 69 69 LYS CB C 33.075 0.000 1 195 69 69 LYS N N 125.223 0.065 1 196 71 71 ASP H H 8.324 0.006 1 197 71 71 ASP CA C 54.477 0.000 1 198 71 71 ASP CB C 41.092 0.000 1 199 71 71 ASP N N 121.452 0.056 1 200 72 72 THR H H 8.189 0.004 1 201 72 72 THR CA C 62.633 0.000 1 202 72 72 THR CB C 69.465 0.000 1 203 72 72 THR N N 114.008 0.015 1 204 73 73 SER H H 8.358 0.007 1 205 73 73 SER CA C 63.454 0.000 1 206 73 73 SER CB C 59.870 0.000 1 207 73 73 SER N N 118.407 0.044 1 208 74 74 GLU H H 8.432 0.025 1 209 74 74 GLU CA C 57.990 0.000 1 210 74 74 GLU CB C 29.544 0.000 1 211 74 74 GLU N N 122.563 0.015 1 212 75 75 TRP H H 8.008 0.002 1 213 75 75 TRP CA C 58.658 0.000 1 214 75 75 TRP CB C 29.242 0.000 1 215 75 75 TRP N N 120.579 0.082 1 216 76 76 ALA H H 8.019 0.022 1 217 76 76 ALA CA C 54.357 0.000 1 218 76 76 ALA CB C 18.578 0.000 1 219 76 76 ALA N N 123.462 0.129 1 220 77 77 GLU H H 8.127 0.012 1 221 77 77 GLU CA C 58.215 0.000 1 222 77 77 GLU CB C 29.670 0.000 1 223 77 77 GLU N N 118.817 0.037 1 224 80 80 MET H H 8.145 0.025 1 225 80 80 MET CA C 56.687 0.000 1 226 80 80 MET CB C 32.778 0.000 1 227 80 80 MET N N 121.930 0.034 1 228 81 81 LYS H H 8.107 0.002 1 229 81 81 LYS CA C 57.440 0.000 1 230 81 81 LYS CB C 32.775 0.000 1 231 81 81 LYS N N 121.093 0.091 1 232 82 82 ALA H H 8.089 0.024 1 233 82 82 ALA CA C 53.318 0.000 1 234 82 82 ALA CB C 18.840 0.000 1 235 82 82 ALA N N 123.412 0.182 1 236 83 83 GLN H H 8.120 0.009 1 237 83 83 GLN CA C 56.558 0.000 1 238 83 83 GLN CB C 29.255 0.000 1 239 83 83 GLN N N 118.767 0.101 1 240 84 84 ALA H H 8.110 0.012 1 241 84 84 ALA CA C 53.067 0.000 1 242 84 84 ALA CB C 19.078 0.000 1 243 84 84 ALA N N 124.365 0.273 1 244 85 85 GLU H H 8.181 0.000 1 245 85 85 GLU CA C 56.886 0.000 1 246 85 85 GLU CB C 30.145 0.000 1 247 85 85 GLU N N 119.469 0.027 1 248 86 86 LYS H H 8.122 0.001 1 249 86 86 LYS CA C 56.606 0.000 1 250 86 86 LYS CB C 32.806 0.000 1 251 86 86 LYS N N 122.043 0.004 1 252 89 89 ALA H H 8.107 0.010 1 253 89 89 ALA CA C 52.062 0.000 1 254 89 89 ALA CB C 19.396 0.000 1 255 89 89 ALA N N 124.856 0.118 1 256 90 90 THR H H 8.090 0.018 1 257 90 90 THR CA C 59.607 0.000 1 258 90 90 THR CB C 69.716 0.000 1 259 90 90 THR N N 116.184 0.045 1 260 95 95 TYR H H 8.049 0.028 1 261 95 95 TYR CA C 57.461 0.000 1 262 95 95 TYR CB C 39.024 0.000 1 263 95 95 TYR N N 120.483 0.207 1 264 96 96 ASN H H 8.293 0.001 1 265 96 96 ASN CA C 52.923 0.000 1 266 96 96 ASN CB C 38.787 0.000 1 267 96 96 ASN N N 120.509 0.011 1 268 97 97 TYR H H 7.905 0.006 1 269 97 97 TYR CA C 57.935 0.000 1 270 97 97 TYR CB C 38.805 0.000 1 271 97 97 TYR N N 120.509 0.029 1 272 98 98 ILE H H 7.876 0.004 1 273 98 98 ILE CA C 60.906 0.000 1 274 98 98 ILE CB C 38.815 0.000 1 275 98 98 ILE N N 123.276 0.054 1 276 99 99 LYS H H 8.220 0.022 1 277 99 99 LYS CA C 56.090 0.000 1 278 99 99 LYS CB C 33.015 0.000 1 279 99 99 LYS N N 125.983 0.185 1 280 100 100 LEU H H 8.275 0.019 1 281 100 100 LEU CA C 55.138 0.000 1 282 100 100 LEU CB C 42.439 0.000 1 283 100 100 LEU N N 124.602 0.204 1 284 101 101 SER H H 8.242 0.007 1 285 101 101 SER CA C 58.225 0.000 1 286 101 101 SER CB C 63.721 0.000 1 287 101 101 SER N N 116.711 0.084 1 288 102 102 GLU H H 8.252 0.015 1 289 102 102 GLU CA C 54.331 0.000 1 290 102 102 GLU CB C 30.025 0.000 1 291 102 102 GLU N N 123.757 0.014 1 292 104 104 VAL H H 8.177 0.001 1 293 104 104 VAL CA C 59.868 0.000 1 294 104 104 VAL CB C 32.518 0.000 1 295 104 104 VAL N N 121.764 0.051 1 296 106 106 LYS H H 8.375 0.003 1 297 106 106 LYS CA C 56.318 0.000 1 298 106 106 LYS CB C 33.109 0.000 1 299 106 106 LYS N N 121.696 0.062 1 300 107 107 PHE H H 8.109 0.001 1 301 107 107 PHE CA C 57.343 0.000 1 302 107 107 PHE CB C 39.885 0.000 1 303 107 107 PHE N N 120.970 0.005 1 304 108 108 LYS H H 8.150 0.000 1 305 108 108 LYS CA C 53.615 0.000 1 306 108 108 LYS CB C 33.047 0.000 1 307 108 108 LYS N N 125.486 0.029 1 308 110 110 ALA H H 8.370 0.001 1 309 110 110 ALA CA C 52.230 0.000 1 310 110 110 ALA CB C 19.336 0.000 1 311 110 110 ALA N N 124.699 0.000 1 312 111 111 VAL H H 8.086 0.009 1 313 111 111 VAL CA C 62.039 0.000 1 314 111 111 VAL CB C 32.831 0.000 1 315 111 111 VAL N N 119.954 0.082 1 316 112 112 LEU H H 8.264 0.001 1 317 112 112 LEU CA C 54.953 0.000 1 318 112 112 LEU CB C 42.377 0.000 1 319 112 112 LEU N N 126.261 0.000 1 320 113 113 GLN H H 8.285 0.026 1 321 113 113 GLN CA C 55.254 0.000 1 322 113 113 GLN CB C 29.538 0.000 1 323 113 113 GLN N N 121.764 0.336 1 324 114 114 MET H H 8.396 0.007 1 325 114 114 MET CA C 53.181 0.000 1 326 114 114 MET CB C 32.299 0.000 1 327 114 114 MET N N 123.519 0.047 1 328 116 116 SER H H 8.487 0.004 1 329 116 116 SER CA C 58.236 0.000 1 330 116 116 SER CB C 63.768 0.000 1 331 116 116 SER N N 116.433 0.008 1 332 117 117 THR H H 8.215 0.017 1 333 117 117 THR CA C 61.700 0.000 1 334 117 117 THR CB C 69.720 0.000 1 335 117 117 THR N N 115.797 0.163 1 336 118 118 SER H H 8.275 0.028 1 337 118 118 SER CA C 58.494 0.000 1 338 118 118 SER CB C 63.815 0.000 1 339 118 118 SER N N 117.789 0.055 1 340 119 119 GLU H H 8.416 0.012 1 341 119 119 GLU CA C 56.595 0.000 1 342 119 119 GLU CB C 30.348 0.000 1 343 119 119 GLU N N 122.952 0.070 1 344 120 120 THR H H 8.200 0.004 1 345 120 120 THR CA C 61.800 0.000 1 346 120 120 THR CB C 69.714 0.000 1 347 120 120 THR N N 115.999 0.044 1 stop_ save_