data_30652 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human CstF-64 RRM ; _BMRB_accession_number 30652 _BMRB_flat_file_name bmr30652.str _Entry_type original _Submission_date 2019-08-08 _Accession_date 2019-08-08 _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 Latham M. P. . 2 Masoumzadeh E. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 101 "13C chemical shifts" 241 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-03 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 30653 'Human CstF-64 RRM mutant - D50A' stop_ _Original_release_date 2019-08-30 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Point Mutation in the RNA-Binding Domain of CSTF2 Results in Severe Intellectual Deficiency ; _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 Grozdanov P. N. . 2 Masoumzadeh E. . . 3 Chelly J. . . 4 Kalscheuer V. M. . 5 Latham M. P. . 6 MacDonald C. C. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'Cleavage stimulation factor subunit 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 11965.345 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MAGLTVRDPAVDRSLRSVFV GNIPYEATEEQLKDIFSEVG PVVSFRLVYDRETGKPKGYG FCEYQDQETALSAMRNLNGR EFSGRALRVDNAASEKNKEE LKSLGTGA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLY 4 LEU 5 THR 6 VAL 7 ARG 8 ASP 9 PRO 10 ALA 11 VAL 12 ASP 13 ARG 14 SER 15 LEU 16 ARG 17 SER 18 VAL 19 PHE 20 VAL 21 GLY 22 ASN 23 ILE 24 PRO 25 TYR 26 GLU 27 ALA 28 THR 29 GLU 30 GLU 31 GLN 32 LEU 33 LYS 34 ASP 35 ILE 36 PHE 37 SER 38 GLU 39 VAL 40 GLY 41 PRO 42 VAL 43 VAL 44 SER 45 PHE 46 ARG 47 LEU 48 VAL 49 TYR 50 ASP 51 ARG 52 GLU 53 THR 54 GLY 55 LYS 56 PRO 57 LYS 58 GLY 59 TYR 60 GLY 61 PHE 62 CYS 63 GLU 64 TYR 65 GLN 66 ASP 67 GLN 68 GLU 69 THR 70 ALA 71 LEU 72 SER 73 ALA 74 MET 75 ARG 76 ASN 77 LEU 78 ASN 79 GLY 80 ARG 81 GLU 82 PHE 83 SER 84 GLY 85 ARG 86 ALA 87 LEU 88 ARG 89 VAL 90 ASP 91 ASN 92 ALA 93 ALA 94 SER 95 GLU 96 LYS 97 ASN 98 LYS 99 GLU 100 GLU 101 LEU 102 LYS 103 SER 104 LEU 105 GLY 106 THR 107 GLY 108 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens CSTF2 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET22 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '980 uM [U-100% 13C; U-100% 15N] RNA Recognition Motif, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 980 uM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'CcpNmr Analysis' _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRDraw _Version 9.6 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CS-ROSETTA _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Vernon, Baker and Bax' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model DD2 _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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' 10 . mM pH 6 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 46.29 internal indirect . . . 0.251449530 water H 1 protons ppm 4.754 internal direct . . . 0 water N 15 protons ppm 118.976 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 1 1 MET C C 176.012 0.004 1 2 1 1 MET CA C 55.453 0.003 1 3 1 1 MET CB C 32.655 0.088 1 4 1 1 MET N N 122.629 0.000 1 5 2 2 ALA H H 8.261 0.004 1 6 2 2 ALA C C 178.096 0.039 1 7 2 2 ALA CA C 52.908 0.040 1 8 2 2 ALA CB C 19.113 0.056 1 9 2 2 ALA N N 125.227 0.000 1 10 3 3 GLY H H 8.333 0.003 1 11 3 3 GLY C C 174.049 0.004 1 12 3 3 GLY N N 108.089 0.030 1 13 4 4 LEU H H 8.006 0.002 1 14 4 4 LEU C C 177.523 0.004 1 15 4 4 LEU CA C 55.248 0.020 1 16 4 4 LEU CB C 42.614 0.027 1 17 4 4 LEU N N 121.493 0.000 1 18 5 5 THR H H 8.181 0.003 1 19 5 5 THR C C 174.335 0.019 1 20 5 5 THR CA C 61.937 0.077 1 21 5 5 THR CB C 69.810 0.041 1 22 5 5 THR N N 115.733 0.000 1 23 6 6 VAL H H 8.129 0.002 1 24 6 6 VAL C C 175.701 0.006 1 25 6 6 VAL CB C 32.856 0.040 1 26 6 6 VAL N N 123.063 0.000 1 27 7 7 ARG H H 8.375 0.002 1 28 7 7 ARG CA C 55.827 0.011 1 29 7 7 ARG CB C 31.082 0.068 1 30 7 7 ARG N N 125.203 0.000 1 31 8 8 ASP H H 8.350 0.003 1 32 8 8 ASP N N 123.334 0.000 1 33 9 9 PRO C C 177.383 0.000 1 34 10 10 ALA H H 8.372 0.004 1 35 10 10 ALA C C 179.154 0.004 1 36 10 10 ALA CA C 53.505 0.004 1 37 10 10 ALA CB C 18.884 0.031 1 38 10 10 ALA N N 121.989 0.000 1 39 11 11 VAL H H 7.727 0.007 1 40 11 11 VAL C C 176.888 0.004 1 41 11 11 VAL CA C 63.621 0.027 1 42 11 11 VAL N N 118.879 0.000 1 43 12 12 ASP H H 8.185 0.009 1 44 12 12 ASP CB C 41.912 0.022 1 45 12 12 ASP N N 122.960 0.024 1 46 13 13 ARG H H 8.259 0.006 1 47 13 13 ARG C C 178.918 0.002 1 48 13 13 ARG CA C 59.385 0.035 1 49 13 13 ARG CB C 30.269 0.029 1 50 13 13 ARG N N 121.291 0.058 1 51 14 14 SER H H 8.434 0.009 1 52 14 14 SER C C 175.541 0.037 1 53 14 14 SER N N 117.165 0.000 1 54 15 15 LEU H H 7.470 0.008 1 55 15 15 LEU C C 177.159 0.013 1 56 15 15 LEU CA C 56.513 0.061 1 57 15 15 LEU CB C 42.135 0.025 1 58 15 15 LEU N N 120.170 0.000 1 59 16 16 ARG H H 7.181 0.006 1 60 16 16 ARG C C 173.601 0.021 1 61 16 16 ARG CA C 55.089 0.031 1 62 16 16 ARG N N 113.505 0.051 1 63 17 17 SER H H 7.162 0.007 1 64 17 17 SER C C 172.364 0.023 1 65 17 17 SER CA C 57.077 0.031 1 66 17 17 SER CB C 66.306 0.049 1 67 17 17 SER N N 113.397 0.000 1 68 18 18 VAL H H 9.066 0.003 1 69 18 18 VAL C C 175.322 0.010 1 70 18 18 VAL CA C 59.081 0.007 1 71 18 18 VAL CB C 33.849 0.024 1 72 18 18 VAL N N 111.212 0.039 1 73 19 19 PHE H H 8.763 0.003 1 74 19 19 PHE C C 173.293 0.002 1 75 19 19 PHE CA C 57.059 0.005 1 76 19 19 PHE CB C 41.381 0.028 1 77 19 19 PHE N N 124.678 0.000 1 78 20 20 VAL H H 7.860 0.002 1 79 20 20 VAL C C 173.667 0.001 1 80 20 20 VAL CA C 60.008 0.026 1 81 20 20 VAL CB C 33.638 0.025 1 82 20 20 VAL N N 127.787 0.000 1 83 21 21 GLY H H 9.440 0.005 1 84 21 21 GLY CA C 43.074 0.020 1 85 21 21 GLY N N 111.800 0.021 1 86 22 22 ASN H H 8.570 0.005 1 87 22 22 ASN C C 173.769 0.025 1 88 22 22 ASN CA C 53.317 0.006 1 89 22 22 ASN CB C 38.335 0.019 1 90 22 22 ASN N N 116.087 0.000 1 91 23 23 ILE H H 7.669 0.006 1 92 23 23 ILE N N 115.270 0.019 1 93 24 24 PRO C C 177.423 0.000 1 94 25 25 TYR H H 8.343 0.003 1 95 25 25 TYR CA C 60.048 0.039 1 96 25 25 TYR CB C 38.024 0.003 1 97 25 25 TYR N N 122.907 0.000 1 98 26 26 GLU H H 9.153 0.007 1 99 26 26 GLU C C 176.523 0.003 1 100 26 26 GLU CA C 57.182 0.004 1 101 26 26 GLU CB C 28.818 0.027 1 102 26 26 GLU N N 116.277 0.000 1 103 27 27 ALA H H 7.432 0.005 1 104 27 27 ALA C C 177.008 0.011 1 105 27 27 ALA N N 122.692 0.000 1 106 28 28 THR H H 7.917 0.003 1 107 28 28 THR CA C 58.701 0.052 1 108 28 28 THR CB C 71.653 0.032 1 109 28 28 THR N N 109.778 0.000 1 110 29 29 GLU H H 9.198 0.010 1 111 29 29 GLU C C 178.154 0.000 1 112 29 29 GLU CA C 60.414 0.082 1 113 29 29 GLU CB C 29.496 0.039 1 114 29 29 GLU N N 120.792 0.000 1 115 30 30 GLU H H 8.501 0.001 1 116 30 30 GLU C C 178.686 0.012 1 117 30 30 GLU CB C 29.358 0.099 1 118 30 30 GLU N N 117.527 0.000 1 119 31 31 GLN H H 7.545 0.003 1 120 31 31 GLN C C 179.800 0.009 1 121 31 31 GLN CA C 58.322 0.010 1 122 31 31 GLN CB C 29.204 0.054 1 123 31 31 GLN N N 118.011 0.000 1 124 32 32 LEU H H 7.491 0.006 1 125 32 32 LEU C C 178.494 0.025 1 126 32 32 LEU CA C 57.046 0.017 1 127 32 32 LEU CB C 39.385 0.076 1 128 32 32 LEU N N 119.532 0.000 1 129 33 33 LYS H H 8.538 0.005 1 130 33 33 LYS CA C 61.187 0.018 1 131 33 33 LYS CB C 31.874 0.018 1 132 33 33 LYS N N 121.046 0.000 1 133 34 34 ASP H H 7.477 0.009 1 134 34 34 ASP C C 178.846 0.002 1 135 34 34 ASP CA C 57.817 0.022 1 136 34 34 ASP CB C 40.406 0.010 1 137 34 34 ASP N N 118.795 0.000 1 138 35 35 ILE H H 7.319 0.003 1 139 35 35 ILE C C 178.122 0.001 1 140 35 35 ILE CA C 64.216 0.014 1 141 35 35 ILE CB C 38.422 0.025 1 142 35 35 ILE N N 119.634 0.019 1 143 36 36 PHE H H 8.567 0.003 1 144 36 36 PHE C C 178.138 0.000 1 145 36 36 PHE CA C 61.912 0.000 1 146 36 36 PHE CB C 37.754 0.000 1 147 36 36 PHE N N 117.104 0.012 1 148 37 37 SER H H 8.130 0.003 1 149 37 37 SER CA C 59.548 0.000 1 150 37 37 SER CB C 63.492 0.000 1 151 37 37 SER N N 116.845 0.020 1 152 38 38 GLU H H 7.694 0.002 1 153 38 38 GLU C C 178.046 0.012 1 154 38 38 GLU CA C 59.505 0.043 1 155 38 38 GLU CB C 30.599 0.043 1 156 38 38 GLU N N 121.365 0.000 1 157 39 39 VAL H H 6.506 0.002 1 158 39 39 VAL C C 174.872 0.004 1 159 39 39 VAL CA C 61.387 0.001 1 160 39 39 VAL CB C 31.540 0.004 1 161 39 39 VAL N N 104.406 0.040 1 162 40 40 GLY H H 7.235 0.003 1 163 40 40 GLY N N 110.487 0.000 1 164 42 42 VAL H H 8.389 0.005 1 165 42 42 VAL C C 176.884 0.009 1 166 42 42 VAL CA C 62.189 0.008 1 167 42 42 VAL CB C 33.815 0.014 1 168 42 42 VAL N N 124.534 0.049 1 169 43 43 VAL H H 9.105 0.005 1 170 43 43 VAL CA C 64.990 0.001 1 171 43 43 VAL CB C 32.294 0.053 1 172 43 43 VAL N N 129.959 0.000 1 173 44 44 SER H H 7.327 0.010 1 174 44 44 SER CA C 57.701 0.024 1 175 44 44 SER CB C 65.582 0.004 1 176 44 44 SER N N 110.641 0.000 1 177 45 45 PHE H H 8.856 0.004 1 178 45 45 PHE CB C 42.723 0.016 1 179 45 45 PHE N N 125.905 0.000 1 180 46 46 ARG H H 8.121 0.006 1 181 46 46 ARG C C 175.222 0.001 1 182 46 46 ARG CA C 53.426 0.030 1 183 46 46 ARG CB C 32.994 0.015 1 184 46 46 ARG N N 126.350 0.000 1 185 47 47 LEU H H 9.203 0.007 1 186 47 47 LEU CA C 54.430 0.010 1 187 47 47 LEU CB C 43.021 0.017 1 188 47 47 LEU N N 124.967 0.000 1 189 48 48 VAL H H 7.444 0.002 1 190 48 48 VAL C C 174.855 0.000 1 191 48 48 VAL CA C 62.532 0.023 1 192 48 48 VAL CB C 31.618 0.049 1 193 48 48 VAL N N 119.248 0.000 1 194 49 49 TYR H H 8.682 0.002 1 195 49 49 TYR C C 175.411 0.007 1 196 49 49 TYR CA C 56.752 0.004 1 197 49 49 TYR CB C 40.904 0.049 1 198 49 49 TYR N N 126.596 0.000 1 199 50 50 ASP H H 9.010 0.002 1 200 50 50 ASP C C 177.737 0.008 1 201 50 50 ASP CA C 54.436 0.005 1 202 50 50 ASP CB C 43.311 0.009 1 203 50 50 ASP N N 122.796 0.000 1 204 51 51 ARG H H 9.035 0.005 1 205 51 51 ARG C C 177.312 0.008 1 206 51 51 ARG CA C 58.744 0.047 1 207 51 51 ARG CB C 30.228 0.042 1 208 51 51 ARG N N 128.392 0.000 1 209 52 52 GLU H H 8.575 0.002 1 210 52 52 GLU C C 178.473 0.010 1 211 52 52 GLU CB C 30.380 0.050 1 212 52 52 GLU N N 117.447 0.007 1 213 53 53 THR H H 8.243 0.011 1 214 53 53 THR C C 176.748 0.013 1 215 53 53 THR CA C 61.844 0.005 1 216 53 53 THR CB C 71.275 0.036 1 217 53 53 THR N N 106.665 0.020 1 218 54 54 GLY H H 8.292 0.003 1 219 54 54 GLY C C 173.879 0.009 1 220 54 54 GLY CA C 45.745 0.011 1 221 54 54 GLY N N 110.979 0.040 1 222 55 55 LYS H H 7.748 0.003 1 223 55 55 LYS N N 119.995 0.000 1 224 56 56 PRO C C 177.444 0.000 1 225 57 57 LYS H H 8.244 0.003 1 226 57 57 LYS CA C 56.722 0.030 1 227 57 57 LYS CB C 33.302 0.077 1 228 57 57 LYS N N 118.670 0.000 1 229 58 58 GLY H H 7.996 0.000 1 230 58 58 GLY N N 107.717 0.000 1 231 59 59 TYR H H 6.943 0.003 1 232 59 59 TYR C C 173.748 0.002 1 233 59 59 TYR CA C 54.983 0.002 1 234 59 59 TYR CB C 41.259 0.055 1 235 59 59 TYR N N 113.130 0.043 1 236 60 60 GLY H H 8.781 0.003 1 237 60 60 GLY C C 168.943 0.014 1 238 60 60 GLY N N 107.075 0.021 1 239 61 61 PHE H H 8.282 0.003 1 240 61 61 PHE C C 174.069 0.011 1 241 61 61 PHE CA C 56.139 0.006 1 242 61 61 PHE CB C 44.042 0.003 1 243 61 61 PHE N N 113.499 0.045 1 244 62 62 CYS H H 8.624 0.004 1 245 62 62 CYS C C 171.495 0.010 1 246 62 62 CYS CA C 56.990 0.026 1 247 62 62 CYS CB C 27.952 0.001 1 248 62 62 CYS N N 123.791 0.000 1 249 63 63 GLU H H 8.917 0.003 1 250 63 63 GLU C C 174.445 0.006 1 251 63 63 GLU CA C 55.363 0.033 1 252 63 63 GLU CB C 32.537 0.006 1 253 63 63 GLU N N 131.968 0.000 1 254 64 64 TYR H H 8.940 0.002 1 255 64 64 TYR C C 175.086 0.013 1 256 64 64 TYR CA C 58.407 0.030 1 257 64 64 TYR CB C 40.739 0.005 1 258 64 64 TYR N N 126.315 0.000 1 259 65 65 GLN H H 9.986 0.002 1 260 65 65 GLN C C 176.243 0.010 1 261 65 65 GLN CA C 57.921 0.018 1 262 65 65 GLN CB C 29.582 0.005 1 263 65 65 GLN N N 115.701 0.000 1 264 66 66 ASP H H 7.501 0.003 1 265 66 66 ASP C C 174.413 0.020 1 266 66 66 ASP CA C 52.637 0.072 1 267 66 66 ASP CB C 43.011 0.006 1 268 66 66 ASP N N 110.929 0.022 1 269 67 67 GLN H H 8.870 0.002 1 270 67 67 GLN C C 177.763 0.014 1 271 67 67 GLN CA C 58.600 0.026 1 272 67 67 GLN CB C 29.070 0.095 1 273 67 67 GLN N N 119.677 0.016 1 274 68 68 GLU H H 9.051 0.005 1 275 68 68 GLU C C 179.551 0.003 1 276 68 68 GLU CA C 60.381 0.011 1 277 68 68 GLU N N 120.669 0.000 1 278 69 69 THR H H 8.537 0.004 1 279 69 69 THR C C 175.306 0.003 1 280 69 69 THR N N 118.200 0.000 1 281 70 70 ALA H H 7.027 0.005 1 282 70 70 ALA C C 179.184 0.009 1 283 70 70 ALA CA C 55.780 0.023 1 284 70 70 ALA CB C 17.103 0.020 1 285 70 70 ALA N N 124.434 0.000 1 286 71 71 LEU H H 8.233 0.004 1 287 71 71 LEU C C 180.086 0.002 1 288 71 71 LEU CA C 58.137 0.008 1 289 71 71 LEU CB C 41.312 0.039 1 290 71 71 LEU N N 117.725 0.000 1 291 72 72 SER H H 7.843 0.003 1 292 72 72 SER C C 177.527 0.001 1 293 72 72 SER CA C 62.874 0.091 1 294 72 72 SER CB C 60.958 0.020 1 295 72 72 SER N N 115.499 0.039 1 296 73 73 ALA H H 8.394 0.004 1 297 73 73 ALA C C 179.769 0.000 1 298 73 73 ALA CA C 56.027 0.002 1 299 73 73 ALA CB C 19.238 0.058 1 300 73 73 ALA N N 124.380 0.002 1 301 74 74 MET H H 7.937 0.003 1 302 74 74 MET C C 177.785 0.005 1 303 74 74 MET CA C 60.107 0.003 1 304 74 74 MET CB C 33.532 0.020 1 305 74 74 MET N N 117.007 0.000 1 306 75 75 ARG H H 7.880 0.004 1 307 75 75 ARG C C 178.416 0.008 1 308 75 75 ARG N N 116.004 0.039 1 309 76 76 ASN H H 8.533 0.002 1 310 76 76 ASN C C 176.481 0.001 1 311 76 76 ASN CA C 55.424 0.007 1 312 76 76 ASN CB C 40.179 0.017 1 313 76 76 ASN N N 113.717 0.019 1 314 77 77 LEU H H 8.610 0.005 1 315 77 77 LEU C C 176.750 0.007 1 316 77 77 LEU CA C 54.922 0.024 1 317 77 77 LEU CB C 42.509 0.003 1 318 77 77 LEU N N 117.212 0.016 1 319 78 78 ASN H H 6.813 0.003 1 320 78 78 ASN C C 176.405 0.007 1 321 78 78 ASN N N 115.419 0.000 1 322 79 79 GLY H H 9.071 0.005 1 323 79 79 GLY C C 173.411 0.020 1 324 79 79 GLY CA C 45.503 0.005 1 325 79 79 GLY N N 117.627 0.000 1 326 80 80 ARG H H 7.753 0.002 1 327 80 80 ARG C C 175.476 0.009 1 328 80 80 ARG CA C 55.421 0.037 1 329 80 80 ARG CB C 30.164 0.011 1 330 80 80 ARG N N 122.067 0.000 1 331 81 81 GLU H H 8.584 0.003 1 332 81 81 GLU C C 176.524 0.002 1 333 81 81 GLU CA C 56.608 0.015 1 334 81 81 GLU CB C 30.177 0.002 1 335 81 81 GLU N N 126.787 0.000 1 336 82 82 PHE H H 9.361 0.004 1 337 82 82 PHE CB C 41.502 0.022 1 338 82 82 PHE N N 126.952 0.000 1 339 83 83 SER H H 8.874 0.002 1 340 83 83 SER C C 175.018 0.030 1 341 83 83 SER CA C 57.894 0.001 1 342 83 83 SER CB C 62.543 0.047 1 343 83 83 SER N N 122.999 0.000 1 344 84 84 GLY H H 8.599 0.005 1 345 84 84 GLY C C 173.972 0.003 1 346 84 84 GLY N N 103.936 0.032 1 347 85 85 ARG H H 7.825 0.001 1 348 85 85 ARG CA C 53.764 0.006 1 349 85 85 ARG CB C 32.785 0.003 1 350 85 85 ARG N N 120.286 0.000 1 351 86 86 ALA H H 8.307 0.005 1 352 86 86 ALA C C 177.252 0.002 1 353 86 86 ALA CA C 51.025 0.036 1 354 86 86 ALA CB C 18.547 0.062 1 355 86 86 ALA N N 124.100 0.016 1 356 87 87 LEU H H 8.969 0.003 1 357 87 87 LEU C C 176.658 0.011 1 358 87 87 LEU CA C 55.702 0.019 1 359 87 87 LEU CB C 42.508 0.002 1 360 87 87 LEU N N 127.190 0.000 1 361 88 88 ARG H H 8.050 0.003 1 362 88 88 ARG CA C 54.021 0.001 1 363 88 88 ARG CB C 32.047 0.004 1 364 88 88 ARG N N 123.449 0.000 1 365 89 89 VAL H H 8.864 0.004 1 366 89 89 VAL C C 174.226 0.043 1 367 89 89 VAL CA C 61.214 0.039 1 368 89 89 VAL CB C 34.205 0.005 1 369 89 89 VAL N N 126.041 0.075 1 370 90 90 ASP H H 9.353 0.002 1 371 90 90 ASP C C 175.080 0.023 1 372 90 90 ASP CA C 51.964 0.030 1 373 90 90 ASP CB C 45.853 0.030 1 374 90 90 ASP N N 126.819 0.000 1 375 91 91 ASN H H 9.267 0.011 1 376 91 91 ASN C C 175.501 0.016 1 377 91 91 ASN CA C 54.696 0.041 1 378 91 91 ASN CB C 39.346 0.027 1 379 91 91 ASN N N 120.480 0.000 1 380 92 92 ALA H H 8.553 0.003 1 381 92 92 ALA C C 175.973 0.003 1 382 92 92 ALA CA C 53.265 0.062 1 383 92 92 ALA CB C 18.974 0.017 1 384 92 92 ALA N N 125.846 0.000 1 385 93 93 ALA H H 8.094 0.002 1 386 93 93 ALA C C 177.850 0.016 1 387 93 93 ALA CA C 52.281 0.018 1 388 93 93 ALA CB C 19.048 0.058 1 389 93 93 ALA N N 118.296 0.000 1 390 94 94 SER H H 7.700 0.009 1 391 94 94 SER C C 174.950 0.012 1 392 94 94 SER CA C 58.072 0.015 1 393 94 94 SER CB C 64.010 0.033 1 394 94 94 SER N N 114.338 0.000 1 395 95 95 GLU H H 8.669 0.008 1 396 95 95 GLU C C 178.012 0.013 1 397 95 95 GLU CA C 58.997 0.008 1 398 95 95 GLU CB C 29.462 0.006 1 399 95 95 GLU N N 123.185 0.000 1 400 96 96 LYS H H 8.128 0.005 1 401 96 96 LYS C C 177.795 0.021 1 402 96 96 LYS N N 118.234 0.000 1 403 97 97 ASN H H 7.748 0.013 1 404 97 97 ASN C C 176.198 0.001 1 405 97 97 ASN CA C 54.399 0.014 1 406 97 97 ASN CB C 38.355 0.000 1 407 97 97 ASN N N 117.554 0.000 1 408 98 98 LYS H H 8.218 0.009 1 409 98 98 LYS C C 178.603 0.019 1 410 98 98 LYS CA C 59.220 0.034 1 411 98 98 LYS CB C 32.393 0.026 1 412 98 98 LYS N N 121.110 0.000 1 413 99 99 GLU H H 8.073 0.003 1 414 99 99 GLU CA C 58.480 0.022 1 415 99 99 GLU CB C 29.441 0.012 1 416 99 99 GLU N N 119.759 0.000 1 417 100 100 GLU H H 8.179 0.010 1 418 100 100 GLU N N 120.995 0.000 1 419 101 101 LEU H H 8.170 0.000 1 420 101 101 LEU C C 178.821 0.016 1 421 101 101 LEU CA C 56.917 0.027 1 422 101 101 LEU CB C 41.641 0.008 1 423 101 101 LEU N N 121.004 0.000 1 424 102 102 LYS H H 7.831 0.007 1 425 102 102 LYS C C 178.152 0.001 1 426 102 102 LYS CA C 58.319 0.013 1 427 102 102 LYS CB C 32.489 0.012 1 428 102 102 LYS N N 119.884 0.000 1 429 103 103 SER H H 7.876 0.006 1 430 103 103 SER C C 174.869 0.007 1 431 103 103 SER CA C 59.535 0.016 1 432 103 103 SER CB C 63.551 0.042 1 433 103 103 SER N N 114.806 0.000 1 434 104 104 LEU H H 7.718 0.011 1 435 104 104 LEU C C 177.956 0.004 1 436 104 104 LEU CA C 55.870 0.032 1 437 104 104 LEU CB C 42.333 0.016 1 438 104 104 LEU N N 122.569 0.000 1 439 105 105 GLY H H 8.011 0.011 1 440 105 105 GLY C C 174.361 0.001 1 441 105 105 GLY CA C 45.433 0.037 1 442 105 105 GLY N N 107.697 0.000 1 443 106 106 THR H H 8.045 0.002 1 444 106 106 THR N N 112.646 0.022 1 stop_ save_