data_27569 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Human Lineage Specific 1 domain, NBPF15 ; _BMRB_accession_number 27569 _BMRB_flat_file_name bmr27569.str _Entry_type original _Submission_date 2018-08-03 _Accession_date 2018-08-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Assignment of residues 338-412 corresponding to HLS1 domain in NBPF15 (this is equivalent to 12-86 in our numbering). ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Issaian Aaron V. . 2 Hansen Kirk . . 3 Vogeli Beat R. . 4 Sikela James . . 5 Henen Morkos A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 73 "13C chemical shifts" 216 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-23 update BMRB 'update entry citation' 2019-07-02 original author 'original release' stop_ _Original_release_date 2018-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution NMR backbone assignment reveals interaction-free tumbling of human lineage-specific Olduvai protein domains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31264103 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Issaian Aaron . . 2 Schmitt Lauren . . 3 Born Alexandra . . 4 Nichols Parker J. . 5 Sikela James . . 6 Hansen Kirk . . 7 Vogeli Beat . . 8 Henen Morkos A. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 13 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 339 _Page_last 343 _Year 2019 _Details . loop_ _Keyword 'Brain Evolution' HLS 'NBPF 15' Olduvai stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HLS1 Monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HLS1 $HLS-1 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_HLS-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HLS-1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 94 _Mol_residue_sequence ; SAAAASSASLEKEDQEATGP RLSRELLDEKEPEVLQDSLD RCYSTPSGCLELTDSCQPYR SAFYVLEQQRVGLAIDMDEI EKYQEVLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 ALA 4 ALA 5 ALA 6 SER 7 SER 8 ALA 9 SER 10 LEU 11 GLU 12 LYS 13 GLU 14 ASP 15 GLN 16 GLU 17 ALA 18 THR 19 GLY 20 PRO 21 ARG 22 LEU 23 SER 24 ARG 25 GLU 26 LEU 27 LEU 28 ASP 29 GLU 30 LYS 31 GLU 32 PRO 33 GLU 34 VAL 35 LEU 36 GLN 37 ASP 38 SER 39 LEU 40 ASP 41 ARG 42 CYS 43 TYR 44 SER 45 THR 46 PRO 47 SER 48 GLY 49 CYS 50 LEU 51 GLU 52 LEU 53 THR 54 ASP 55 SER 56 CYS 57 GLN 58 PRO 59 TYR 60 ARG 61 SER 62 ALA 63 PHE 64 TYR 65 VAL 66 LEU 67 GLU 68 GLN 69 GLN 70 ARG 71 VAL 72 GLY 73 LEU 74 ALA 75 ILE 76 ASP 77 MET 78 ASP 79 GLU 80 ILE 81 GLU 82 LYS 83 TYR 84 GLN 85 GLU 86 VAL 87 LEU 88 GLU 89 HIS 90 HIS 91 HIS 92 HIS 93 HIS 94 HIS 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 $HLS-1 Human 9606 Eukaryota Metazoa Homo sapiens 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 $HLS-1 'recombinant technology' . Escherichia coli . pET-21 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 $HLS-1 320 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' 'peak picking' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_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_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(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 pH 6.5 . pH pressure 1 . atm temperature 273 . 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 50 na indirect . . . 1.0 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 na N 15 nitrogen ppm 150 na indirect . . . 1.0 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 HNCACB' '3D HNCO' '3D HCACO' '3D CBCA(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 HLS1 _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 8 8 ALA H H 8.288 0.005 1 2 8 8 ALA C C 177.834 0.000 1 3 8 8 ALA CA C 52.797 0.000 1 4 8 8 ALA CB C 19.161 0.000 1 5 8 8 ALA N N 125.821 0.036 1 6 9 9 SER H H 8.212 0.005 1 7 9 9 SER C C 174.556 0.000 1 8 9 9 SER CA C 58.329 0.000 1 9 9 9 SER CB C 63.676 0.000 1 10 9 9 SER N N 114.919 0.019 1 11 10 10 LEU H H 8.215 0.005 1 12 10 10 LEU C C 177.444 0.000 1 13 10 10 LEU CA C 55.343 0.000 1 14 10 10 LEU CB C 42.365 0.000 1 15 10 10 LEU N N 124.093 0.043 1 16 11 11 GLU H H 8.312 0.001 1 17 11 11 GLU C C 176.383 0.000 1 18 11 11 GLU CA C 56.607 0.000 1 19 11 11 GLU CB C 30.177 0.000 1 20 11 11 GLU N N 121.652 0.026 1 21 12 12 LYS H H 8.261 0.007 1 22 12 12 LYS C C 176.587 0.000 1 23 12 12 LYS CA C 56.336 0.000 1 24 12 12 LYS CB C 33.124 0.000 1 25 12 12 LYS N N 121.785 0.003 1 26 13 13 GLU H H 8.488 0.006 1 27 13 13 GLU C C 176.266 0.000 1 28 13 13 GLU CA C 56.821 0.000 1 29 13 13 GLU CB C 30.350 0.000 1 30 13 13 GLU N N 122.167 0.015 1 31 14 14 ASP H H 8.382 0.003 1 32 14 14 ASP C C 176.317 0.000 1 33 14 14 ASP CA C 54.439 0.000 1 34 14 14 ASP CB C 41.265 0.000 1 35 14 14 ASP N N 121.517 0.008 1 36 15 15 GLN H H 8.337 0.005 1 37 15 15 GLN C C 176.196 0.000 1 38 15 15 GLN CA C 56.195 0.000 1 39 15 15 GLN CB C 29.530 0.000 1 40 15 15 GLN N N 120.772 0.001 1 41 16 16 GLU H H 8.429 0.006 1 42 16 16 GLU C C 176.449 0.000 1 43 16 16 GLU CA C 56.620 0.000 1 44 16 16 GLU CB C 30.033 0.000 1 45 16 16 GLU N N 121.509 0.006 1 46 17 17 ALA H H 8.266 0.006 1 47 17 17 ALA C C 177.907 0.000 1 48 17 17 ALA CA C 52.552 0.000 1 49 17 17 ALA CB C 19.183 0.000 1 50 17 17 ALA N N 124.972 0.022 1 51 18 18 THR H H 8.080 0.005 1 52 18 18 THR C C 174.798 0.000 1 53 18 18 THR CA C 61.755 0.000 1 54 18 18 THR CB C 69.870 0.000 1 55 18 18 THR N N 112.273 0.024 1 56 19 19 GLY H H 8.171 0.006 1 57 19 19 GLY C C 171.620 0.000 1 58 19 19 GLY CA C 44.795 0.000 1 59 19 19 GLY N N 111.057 0.012 1 60 22 22 LEU H H 8.310 0.004 1 61 22 22 LEU C C 177.263 0.000 1 62 22 22 LEU CA C 55.207 0.000 1 63 22 22 LEU CB C 42.393 0.000 1 64 22 22 LEU N N 123.602 0.054 1 65 23 23 SER H H 8.255 0.001 1 66 23 23 SER C C 174.635 0.000 1 67 23 23 SER CA C 58.264 0.000 1 68 23 23 SER CB C 63.709 0.000 1 69 23 23 SER N N 116.701 0.000 1 70 24 24 ARG H H 8.394 0.004 1 71 24 24 ARG C C 176.315 0.000 1 72 24 24 ARG CA C 56.576 0.000 1 73 24 24 ARG CB C 30.625 0.000 1 74 24 24 ARG N N 123.015 0.010 1 75 25 25 GLU H H 8.461 0.008 1 76 25 25 GLU C C 176.386 0.000 1 77 25 25 GLU CA C 56.880 0.000 1 78 25 25 GLU CB C 30.076 0.000 1 79 25 25 GLU N N 121.224 0.004 1 80 26 26 LEU H H 8.149 0.005 1 81 26 26 LEU C C 177.196 0.000 1 82 26 26 LEU CA C 55.233 0.000 1 83 26 26 LEU CB C 42.106 0.000 1 84 26 26 LEU N N 122.454 0.012 1 85 27 27 LEU H H 8.105 0.005 1 86 27 27 LEU C C 176.971 0.000 1 87 27 27 LEU CA C 55.219 0.000 1 88 27 27 LEU CB C 42.369 0.000 1 89 27 27 LEU N N 122.470 0.034 1 90 28 28 ASP H H 8.239 0.005 1 91 28 28 ASP C C 175.996 0.000 1 92 28 28 ASP CA C 54.403 0.006 1 93 28 28 ASP CB C 41.257 0.003 1 94 28 28 ASP N N 120.922 0.130 1 95 29 29 GLU H H 8.223 0.006 1 96 29 29 GLU C C 176.120 0.000 1 97 29 29 GLU CA C 56.587 0.000 1 98 29 29 GLU CB C 30.359 0.000 1 99 29 29 GLU N N 121.276 0.058 1 100 30 30 LYS H H 8.256 0.006 1 101 30 30 LYS C C 176.247 0.000 1 102 30 30 LYS CA C 56.081 0.000 1 103 30 30 LYS CB C 33.278 0.000 1 104 30 30 LYS N N 122.259 0.053 1 105 31 31 GLU H H 8.456 0.004 1 106 31 31 GLU C C 174.393 0.000 1 107 31 31 GLU CA C 54.564 0.000 1 108 31 31 GLU CB C 29.540 0.000 1 109 31 31 GLU N N 123.753 0.041 1 110 34 34 VAL H H 8.069 0.005 1 111 34 34 VAL C C 176.322 0.000 1 112 34 34 VAL CA C 62.874 0.000 1 113 34 34 VAL CB C 32.516 0.000 1 114 34 34 VAL N N 121.163 0.002 1 115 35 35 LEU H H 8.169 0.004 1 116 35 35 LEU C C 177.354 0.000 1 117 35 35 LEU CA C 55.478 0.000 1 118 35 35 LEU CB C 42.359 0.000 1 119 35 35 LEU N N 125.100 0.003 1 120 36 36 GLN H H 8.214 0.004 1 121 36 36 GLN C C 176.181 0.000 1 122 36 36 GLN CA C 56.647 0.000 1 123 36 36 GLN CB C 30.352 0.000 1 124 36 36 GLN N N 120.852 0.075 1 125 37 37 ASP H H 8.383 0.007 1 126 37 37 ASP C C 176.320 0.000 1 127 37 37 ASP CA C 54.665 0.000 1 128 37 37 ASP CB C 41.246 0.000 1 129 37 37 ASP N N 121.393 0.033 1 130 38 38 SER H H 8.201 0.006 1 131 38 38 SER C C 174.813 0.000 1 132 38 38 SER CA C 58.654 0.000 1 133 38 38 SER CB C 63.717 0.000 1 134 38 38 SER N N 115.851 0.075 1 135 39 39 LEU H H 8.253 0.005 1 136 39 39 LEU C C 177.263 0.000 1 137 39 39 LEU CA C 55.533 0.000 1 138 39 39 LEU CB C 42.153 0.000 1 139 39 39 LEU N N 123.557 0.004 1 140 40 40 ASP H H 8.242 0.005 1 141 40 40 ASP C C 176.300 0.000 1 142 40 40 ASP CA C 54.682 0.000 1 143 40 40 ASP CB C 41.064 0.000 1 144 40 40 ASP N N 120.261 0.009 1 145 41 41 ARG H H 8.082 0.008 1 146 41 41 ARG C C 176.035 0.000 1 147 41 41 ARG CA C 56.257 0.011 1 148 41 41 ARG CB C 30.630 0.000 1 149 41 41 ARG N N 120.881 0.137 1 150 42 42 CYS H H 8.267 0.005 1 151 42 42 CYS C C 174.278 0.000 1 152 42 42 CYS CA C 58.796 0.000 1 153 42 42 CYS CB C 27.864 0.000 1 154 42 42 CYS N N 119.641 0.001 1 155 43 43 TYR H H 8.220 0.004 1 156 43 43 TYR C C 175.527 0.000 1 157 43 43 TYR CA C 57.956 0.000 1 158 43 43 TYR CB C 38.907 0.000 1 159 43 43 TYR N N 122.394 0.018 1 160 44 44 SER H H 8.153 0.005 1 161 44 44 SER C C 173.789 0.000 1 162 44 44 SER CA C 57.963 0.000 1 163 44 44 SER CB C 63.987 0.000 1 164 44 44 SER N N 117.313 0.006 1 165 45 45 THR H H 8.137 0.005 1 166 45 45 THR C C 172.943 0.000 1 167 45 45 THR CA C 59.853 0.000 1 168 45 45 THR CB C 69.740 0.000 1 169 45 45 THR N N 117.990 0.001 1 170 47 47 SER H H 8.395 0.004 1 171 47 47 SER C C 175.150 0.000 1 172 47 47 SER CA C 58.756 0.000 1 173 47 47 SER CB C 63.957 0.000 1 174 47 47 SER N N 115.623 0.022 1 175 48 48 GLY H H 8.398 0.005 1 176 48 48 GLY C C 173.909 0.000 1 177 48 48 GLY CA C 45.390 0.000 1 178 48 48 GLY N N 111.008 0.000 1 179 49 49 CYS H H 8.152 0.006 1 180 49 49 CYS C C 174.496 0.000 1 181 49 49 CYS CA C 58.511 0.000 1 182 49 49 CYS CB C 28.151 0.000 1 183 49 49 CYS N N 118.778 0.012 1 184 50 50 LEU H H 8.356 0.005 1 185 50 50 LEU C C 177.046 0.000 1 186 50 50 LEU CA C 55.498 0.000 1 187 50 50 LEU CB C 42.387 0.000 1 188 50 50 LEU N N 124.731 0.017 1 189 51 51 GLU H H 8.368 0.002 1 190 51 51 GLU C C 176.142 0.000 1 191 51 51 GLU CA C 56.345 0.000 1 192 51 51 GLU CB C 30.287 0.000 1 193 51 51 GLU N N 121.514 0.000 1 194 52 52 LEU H H 8.260 0.003 1 195 52 52 LEU C C 177.483 0.000 1 196 52 52 LEU CA C 55.241 0.000 1 197 52 52 LEU CB C 42.282 0.000 1 198 52 52 LEU N N 123.312 0.004 1 199 53 53 THR H H 8.098 0.005 1 200 53 53 THR C C 174.355 0.000 1 201 53 53 THR CA C 61.835 0.000 1 202 53 53 THR CB C 69.988 0.000 1 203 53 53 THR N N 114.261 0.023 1 204 54 54 ASP H H 8.351 0.006 1 205 54 54 ASP C C 176.408 0.000 1 206 54 54 ASP CA C 54.683 0.000 1 207 54 54 ASP CB C 41.302 0.000 1 208 54 54 ASP N N 122.447 0.020 1 209 55 55 SER H H 8.254 0.006 1 210 55 55 SER C C 174.492 0.000 1 211 55 55 SER CA C 58.770 0.000 1 212 55 55 SER CB C 63.702 0.000 1 213 55 55 SER N N 115.898 0.024 1 214 56 56 CYS H H 8.337 0.006 1 215 56 56 CYS C C 174.206 0.000 1 216 56 56 CYS CA C 58.763 0.000 1 217 56 56 CYS CB C 27.881 0.000 1 218 56 56 CYS N N 120.285 0.010 1 219 57 57 GLN H H 8.239 0.006 1 220 57 57 GLN C C 173.948 0.000 1 221 57 57 GLN CA C 54.072 0.000 1 222 57 57 GLN CB C 28.809 0.000 1 223 57 57 GLN N N 122.745 0.001 1 224 59 59 TYR H H 8.058 0.003 1 225 59 59 TYR C C 175.647 0.000 1 226 59 59 TYR CA C 57.955 0.000 1 227 59 59 TYR CB C 38.328 0.000 1 228 59 59 TYR N N 119.517 0.004 1 229 60 60 ARG H H 7.997 0.007 1 230 60 60 ARG C C 175.736 0.000 1 231 60 60 ARG CA C 55.892 0.000 1 232 60 60 ARG CB C 31.015 0.000 1 233 60 60 ARG N N 122.821 0.100 1 234 61 61 SER H H 8.195 0.005 1 235 61 61 SER C C 174.453 0.000 1 236 61 61 SER CA C 58.501 0.000 1 237 61 61 SER CB C 63.922 0.000 1 238 61 61 SER N N 116.773 0.001 1 239 62 62 ALA H H 8.342 0.003 1 240 62 62 ALA C C 177.634 0.000 1 241 62 62 ALA CA C 53.312 0.000 1 242 62 62 ALA CB C 18.874 0.000 1 243 62 62 ALA N N 125.348 0.002 1 244 63 63 PHE H H 8.002 0.006 1 245 63 63 PHE C C 175.526 0.000 1 246 63 63 PHE CA C 58.249 0.000 1 247 63 63 PHE CB C 39.391 0.000 1 248 63 63 PHE N N 117.871 0.001 1 249 64 64 TYR H H 7.830 0.008 1 250 64 64 TYR C C 175.726 0.000 1 251 64 64 TYR CA C 58.619 0.000 1 252 64 64 TYR CB C 38.831 0.000 1 253 64 64 TYR N N 120.801 0.002 1 254 65 65 VAL H H 7.865 0.006 1 255 65 65 VAL C C 176.252 0.000 1 256 65 65 VAL CA C 63.183 0.000 1 257 65 65 VAL CB C 32.657 0.000 1 258 65 65 VAL N N 121.275 0.001 1 259 66 66 LEU H H 8.021 0.007 1 260 66 66 LEU C C 177.960 0.000 1 261 66 66 LEU CA C 56.042 0.000 1 262 66 66 LEU CB C 42.121 0.000 1 263 66 66 LEU N N 124.197 0.001 1 264 67 67 GLU H H 8.284 0.007 1 265 67 67 GLU C C 177.110 0.000 1 266 67 67 GLU CA C 57.429 0.000 1 267 67 67 GLU CB C 29.996 0.000 1 268 67 67 GLU N N 121.278 0.005 1 269 68 68 GLN H H 8.196 0.006 1 270 68 68 GLN C C 176.513 0.000 1 271 68 68 GLN CA C 56.599 0.000 1 272 68 68 GLN CB C 29.170 0.000 1 273 68 68 GLN N N 119.726 0.002 1 274 69 69 GLN H H 8.220 0.007 1 275 69 69 GLN C C 176.240 0.000 1 276 69 69 GLN CA C 56.575 0.000 1 277 69 69 GLN CB C 29.220 0.000 1 278 69 69 GLN N N 120.062 0.036 1 279 70 70 ARG H H 8.181 0.001 1 280 70 70 ARG C C 176.386 0.000 1 281 70 70 ARG CA C 56.594 0.000 1 282 70 70 ARG CB C 30.651 0.000 1 283 70 70 ARG N N 121.524 0.000 1 284 71 71 VAL H H 8.046 0.005 1 285 71 71 VAL C C 176.588 0.000 1 286 71 71 VAL CA C 62.618 0.000 1 287 71 71 VAL CB C 32.688 0.000 1 288 71 71 VAL N N 120.122 0.001 1 289 72 72 GLY H H 8.370 0.008 1 290 72 72 GLY C C 173.800 0.000 1 291 72 72 GLY CA C 45.406 0.000 1 292 72 72 GLY N N 111.965 0.007 1 293 73 73 LEU H H 7.985 0.006 1 294 73 73 LEU C C 176.832 0.000 1 295 73 73 LEU CA C 54.950 0.000 1 296 73 73 LEU CB C 42.894 0.000 1 297 73 73 LEU N N 121.668 0.002 1 298 74 74 ALA H H 8.265 0.005 1 299 74 74 ALA C C 177.333 0.000 1 300 74 74 ALA CA C 52.745 0.000 1 301 74 74 ALA CB C 19.257 0.000 1 302 74 74 ALA N N 124.983 0.016 1 303 75 75 ILE H H 7.977 0.004 1 304 75 75 ILE C C 175.532 0.000 1 305 75 75 ILE CA C 60.977 0.000 1 306 75 75 ILE CB C 39.103 0.000 1 307 75 75 ILE N N 119.596 0.028 1 308 76 76 ASP H H 8.341 0.006 1 309 76 76 ASP C C 176.322 0.000 1 310 76 76 ASP CA C 54.127 0.000 1 311 76 76 ASP CB C 41.265 0.000 1 312 76 76 ASP N N 124.025 0.012 1 313 77 77 MET H H 8.338 0.004 1 314 77 77 MET C C 176.314 0.058 1 315 77 77 MET CA C 56.053 0.012 1 316 77 77 MET CB C 32.794 0.005 1 317 77 77 MET N N 121.267 0.127 1 318 78 78 ASP H H 8.415 0.007 1 319 78 78 ASP C C 176.687 0.000 1 320 78 78 ASP CA C 55.246 0.000 1 321 78 78 ASP CB C 41.043 0.000 1 322 78 78 ASP N N 120.818 0.002 1 323 79 79 GLU H H 8.150 0.008 1 324 79 79 GLU C C 176.933 0.000 1 325 79 79 GLU CA C 57.065 0.000 1 326 79 79 GLU CB C 30.093 0.000 1 327 79 79 GLU N N 120.309 0.051 1 328 80 80 ILE H H 7.905 0.006 1 329 80 80 ILE C C 176.876 0.000 1 330 80 80 ILE CA C 62.314 0.000 1 331 80 80 ILE CB C 38.487 0.000 1 332 80 80 ILE N N 120.678 0.003 1 333 81 81 GLU H H 8.377 0.007 1 334 81 81 GLU C C 177.030 0.000 1 335 81 81 GLU CA C 57.551 0.000 1 336 81 81 GLU CB C 29.807 0.000 1 337 81 81 GLU N N 122.781 0.057 1 338 82 82 LYS H H 8.032 0.005 1 339 82 82 LYS C C 176.764 0.000 1 340 82 82 LYS CA C 56.944 0.000 1 341 82 82 LYS CB C 32.828 0.000 1 342 82 82 LYS N N 120.846 0.051 1 343 83 83 TYR H H 8.032 0.006 1 344 83 83 TYR C C 175.862 0.000 1 345 83 83 TYR CA C 58.497 0.000 1 346 83 83 TYR CB C 38.542 0.000 1 347 83 83 TYR N N 120.274 0.010 1 348 86 86 VAL H H 8.196 0.003 1 349 86 86 VAL C C 175.924 0.000 1 350 86 86 VAL CA C 62.312 0.000 1 351 86 86 VAL CB C 32.796 0.000 1 352 86 86 VAL N N 122.039 0.003 1 353 87 87 LEU H H 8.359 0.004 1 354 87 87 LEU C C 177.287 0.000 1 355 87 87 LEU CA C 54.988 0.000 1 356 87 87 LEU CB C 42.184 0.000 1 357 87 87 LEU N N 126.609 0.025 1 358 88 88 GLU H H 8.421 0.003 1 359 88 88 GLU C C 175.679 0.000 1 360 88 88 GLU CA C 56.065 0.000 1 361 88 88 GLU CB C 29.587 0.000 1 362 88 88 GLU N N 121.663 0.011 1 stop_ save_