data_18767 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Hug1: an intrinsically disordered protein involved in the DNA damage response. ; _BMRB_accession_number 18767 _BMRB_flat_file_name bmr18767.str _Entry_type original _Submission_date 2012-10-08 _Accession_date 2012-10-08 _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 Ochsenbein Francoise . . 2 Richet Nicolas . . 3 Meurisse Julie . . 4 Peyroche Anne . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 291 "13C chemical shifts" 211 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-05 original BMRB . stop_ _Original_release_date 2012-10-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Hug1 is an intrinsically disordered protein that inhibits ribonucleotide reductase activity by directly binding Rnr2 subunit ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25378334 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Meurisse Julie . . 2 Bacquin Agathe . . 3 Richet Nicolas . . 4 Charbonnier Jean-Baptiste B. . 5 Ochsenbein Francoise . . 6 Peyroche Anne . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 42 _Journal_issue 21 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13174 _Page_last 13185 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Hug1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Hug1 $Hug1 stop_ _System_molecular_weight 7999.1 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Hug1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Hug1 _Molecular_mass . _Mol_thiol_state unknown loop_ _Biological_function 'DNA damage response' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; GAMADPMTMDQGLNPKQFFL DDVVLQDTLCSMSNRVNKSV KTGYLFPKDHVPSANIIAVE RRGGLSDIGKNTSN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 ALA 3 -3 MET 4 -2 ALA 5 -1 ASP 6 0 PRO 7 1 MET 8 2 THR 9 3 MET 10 4 ASP 11 5 GLN 12 6 GLY 13 7 LEU 14 8 ASN 15 9 PRO 16 10 LYS 17 11 GLN 18 12 PHE 19 13 PHE 20 14 LEU 21 15 ASP 22 16 ASP 23 17 VAL 24 18 VAL 25 19 LEU 26 20 GLN 27 21 ASP 28 22 THR 29 23 LEU 30 24 CYS 31 25 SER 32 26 MET 33 27 SER 34 28 ASN 35 29 ARG 36 30 VAL 37 31 ASN 38 32 LYS 39 33 SER 40 34 VAL 41 35 LYS 42 36 THR 43 37 GLY 44 38 TYR 45 39 LEU 46 40 PHE 47 41 PRO 48 42 LYS 49 43 ASP 50 44 HIS 51 45 VAL 52 46 PRO 53 47 SER 54 48 ALA 55 49 ASN 56 50 ILE 57 51 ILE 58 52 ALA 59 53 VAL 60 54 GLU 61 55 ARG 62 56 ARG 63 57 GLY 64 58 GLY 65 59 LEU 66 60 SER 67 61 ASP 68 62 ILE 69 63 GLY 70 64 LYS 71 65 ASN 72 66 THR 73 67 SER 74 68 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 $Hug1 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Hug1 'recombinant technology' . Escherichia coli . pGSTbis 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 $Hug1 60 uM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' DSS 0.1 mM 'natural abundance' 'sodium azide' 0.1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN_3.0 _Saveframe_category software _Name TOPSPIN_3.0 _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' stop_ _Details . save_ 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 DRX _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 70 . mM pH 5 . pH pressure 1 . atm temperature 284 . 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 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNCA' '3D HBHA(CO)NH' '3D CBCA(CO)NH' '3D HNCO' 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 Hug1 _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 -5 1 GLY H H 7.163 . . 2 -5 1 GLY HA2 H 3.785 . . 3 -5 1 GLY HA3 H 3.785 . . 4 -5 1 GLY C C 169.725 . . 5 -5 1 GLY CA C 43.203 . . 6 -5 1 GLY N N 109.507 . . 7 -4 2 ALA H H 8.572 . . 8 -4 2 ALA HA H 4.287 . . 9 -4 2 ALA HB H 1.332 . . 10 -4 2 ALA C C 177.715 . . 11 -4 2 ALA CA C 52.544 . . 12 -4 2 ALA CB C 19.343 . . 13 -4 2 ALA N N 123.612 . . 14 -3 3 MET H H 8.423 . . 15 -3 3 MET HA H 4.398 . . 16 -3 3 MET HB2 H 1.968 . . 17 -3 3 MET HB3 H 1.968 . . 18 -3 3 MET HG2 H 2.531 . . 19 -3 3 MET HG3 H 2.531 . . 20 -3 3 MET C C 175.734 . . 21 -3 3 MET CA C 55.239 . . 22 -3 3 MET CB C 32.963 . . 23 -3 3 MET N N 120.000 . . 24 -2 4 ALA H H 8.308 . . 25 -2 4 ALA HA H 4.234 . . 26 -2 4 ALA HB H 1.302 . . 27 -2 4 ALA C C 176.974 . . 28 -2 4 ALA CA C 52.143 . . 29 -2 4 ALA CB C 19.198 . . 30 -2 4 ALA N N 125.670 . . 31 -1 5 ASP H H 8.286 . . 32 -1 5 ASP HA H 4.780 . . 33 -1 5 ASP HB2 H 2.491 . . 34 -1 5 ASP HB3 H 2.740 . . 35 -1 5 ASP C C 174.896 . . 36 -1 5 ASP CA C 52.891 . . 37 -1 5 ASP N N 121.571 . . 38 0 6 PRO HA H 4.309 . . 39 0 6 PRO HB2 H 2.253 . . 40 0 6 PRO HB3 H 1.878 . . 41 0 6 PRO C C 177.362 . . 42 0 6 PRO CA C 63.699 . . 43 0 6 PRO CB C 32.112 . . 44 1 7 MET H H 8.460 . . 45 1 7 MET HA H 4.407 . . 46 1 7 MET HB2 H 2.028 . . 47 1 7 MET HB3 H 2.028 . . 48 1 7 MET C C 176.864 . . 49 1 7 MET CA C 55.869 . . 50 1 7 MET CB C 32.166 . . 51 1 7 MET N N 118.592 . . 52 2 8 THR H H 7.921 . . 53 2 8 THR HA H 4.242 . . 54 2 8 THR HB H 3.928 . . 55 2 8 THR HG2 H 1.167 . . 56 2 8 THR C C 174.685 . . 57 2 8 THR CA C 62.030 . . 58 2 8 THR CB C 69.619 . . 59 2 8 THR N N 113.865 . . 60 3 9 MET H H 8.177 . . 61 3 9 MET HA H 4.388 . . 62 3 9 MET HB2 H 1.977 . . 63 3 9 MET HB3 H 1.977 . . 64 3 9 MET HG2 H 2.498 . . 65 3 9 MET HG3 H 2.498 . . 66 3 9 MET C C 175.935 . . 67 3 9 MET CA C 55.662 . . 68 3 9 MET CB C 32.809 . . 69 3 9 MET N N 122.317 . . 70 4 10 ASP H H 8.321 . . 71 4 10 ASP HA H 4.487 . . 72 4 10 ASP HB2 H 2.539 . . 73 4 10 ASP HB3 H 2.539 . . 74 4 10 ASP C C 176.451 . . 75 4 10 ASP CA C 54.510 . . 76 4 10 ASP CB C 40.879 . . 77 4 10 ASP N N 121.417 . . 78 5 11 GLN H H 8.396 . . 79 5 11 GLN HA H 4.203 . . 80 5 11 GLN HB2 H 2.137 . . 81 5 11 GLN HB3 H 1.926 . . 82 5 11 GLN HG2 H 2.328 . . 83 5 11 GLN HG3 H 2.328 . . 84 5 11 GLN C C 176.641 . . 85 5 11 GLN CA C 56.308 . . 86 5 11 GLN CB C 29.118 . . 87 5 11 GLN N N 121.271 . . 88 6 12 GLY H H 8.422 . . 89 6 12 GLY HA2 H 3.858 . . 90 6 12 GLY HA3 H 3.858 . . 91 6 12 GLY C C 174.099 . . 92 6 12 GLY CA C 45.414 . . 93 6 12 GLY N N 109.009 . . 94 7 13 LEU H H 7.942 . . 95 7 13 LEU HA H 4.249 . . 96 7 13 LEU HB2 H 1.517 . . 97 7 13 LEU HB3 H 1.517 . . 98 7 13 LEU C C 176.923 . . 99 7 13 LEU CA C 55.014 . . 100 7 13 LEU CB C 42.355 . . 101 7 13 LEU N N 120.700 . . 102 8 14 ASN H H 8.376 . . 103 8 14 ASN HA H 4.883 . . 104 8 14 ASN HB2 H 2.627 . . 105 8 14 ASN HB3 H 2.627 . . 106 8 14 ASN C C 173.213 . . 107 8 14 ASN CA C 51.298 . . 108 8 14 ASN N N 119.936 . . 109 9 15 PRO HA H 4.310 . . 110 9 15 PRO HB2 H 2.205 . . 111 9 15 PRO HB3 H 1.852 . . 112 9 15 PRO C C 177.105 . . 113 9 15 PRO CA C 63.434 . . 114 9 15 PRO CB C 32.078 . . 115 10 16 LYS H H 8.236 . . 116 10 16 LYS HA H 4.141 . . 117 10 16 LYS HB2 H 1.643 . . 118 10 16 LYS HB3 H 1.643 . . 119 10 16 LYS C C 176.561 . . 120 10 16 LYS CA C 56.464 . . 121 10 16 LYS CB C 32.644 . . 122 10 16 LYS N N 120.367 . . 123 11 17 GLN H H 8.047 . . 124 11 17 GLN HA H 4.108 . . 125 11 17 GLN HB2 H 2.060 . . 126 11 17 GLN HB3 H 2.060 . . 127 11 17 GLN C C 175.162 . . 128 11 17 GLN CA C 55.867 . . 129 11 17 GLN CB C 29.619 . . 130 11 17 GLN N N 120.424 . . 131 12 18 PHE H H 8.044 . . 132 12 18 PHE HA H 4.497 . . 133 12 18 PHE HB2 H 2.901 . . 134 12 18 PHE HB3 H 2.901 . . 135 12 18 PHE C C 174.928 . . 136 12 18 PHE CA C 57.586 . . 137 12 18 PHE CB C 39.762 . . 138 12 18 PHE N N 120.674 . . 139 13 19 PHE H H 8.102 . . 140 13 19 PHE HA H 4.566 . . 141 13 19 PHE HB2 H 2.941 . . 142 13 19 PHE HB3 H 2.941 . . 143 13 19 PHE C C 175.240 . . 144 13 19 PHE CA C 57.407 . . 145 13 19 PHE CB C 39.681 . . 146 13 19 PHE N N 121.442 . . 147 14 20 LEU H H 8.111 . . 148 14 20 LEU HA H 4.230 . . 149 14 20 LEU HB2 H 1.508 . . 150 14 20 LEU HB3 H 1.508 . . 151 14 20 LEU C C 176.738 . . 152 14 20 LEU CA C 55.137 . . 153 14 20 LEU CB C 42.392 . . 154 14 20 LEU N N 123.562 . . 155 15 21 ASP H H 8.155 . . 156 15 21 ASP HA H 4.485 . . 157 15 21 ASP HB2 H 2.575 . . 158 15 21 ASP HB3 H 2.575 . . 159 15 21 ASP C C 175.789 . . 160 15 21 ASP CA C 54.383 . . 161 15 21 ASP CB C 40.893 . . 162 15 21 ASP N N 120.559 . . 163 16 22 ASP H H 8.159 . . 164 16 22 ASP HA H 4.545 . . 165 16 22 ASP HB2 H 2.613 . . 166 16 22 ASP HB3 H 2.613 . . 167 16 22 ASP C C 176.166 . . 168 16 22 ASP CA C 54.437 . . 169 16 22 ASP CB C 41.045 . . 170 16 22 ASP N N 120.104 . . 171 17 23 VAL H H 7.959 . . 172 17 23 VAL HA H 4.077 . . 173 17 23 VAL HB H 1.991 . . 174 17 23 VAL C C 176.275 . . 175 17 23 VAL CA C 62.937 . . 176 17 23 VAL CB C 32.504 . . 177 17 23 VAL N N 120.570 . . 178 18 24 VAL H H 8.105 . . 179 18 24 VAL HA H 3.977 . . 180 18 24 VAL HB H 1.991 . . 181 18 24 VAL HG1 H 0.866 . . 182 18 24 VAL HG2 H 0.866 . . 183 18 24 VAL C C 176.530 . . 184 18 24 VAL CA C 62.816 . . 185 18 24 VAL CB C 32.363 . . 186 18 24 VAL N N 124.104 . . 187 19 25 LEU H H 8.230 . . 188 19 25 LEU HA H 4.268 . . 189 19 25 LEU HB2 H 1.553 . . 190 19 25 LEU HB3 H 1.553 . . 191 19 25 LEU C C 177.519 . . 192 19 25 LEU CA C 55.291 . . 193 19 25 LEU CB C 42.077 . . 194 19 25 LEU N N 125.876 . . 195 20 26 GLN H H 8.293 . . 196 20 26 GLN HA H 4.176 . . 197 20 26 GLN HB2 H 1.976 . . 198 20 26 GLN HB3 H 1.976 . . 199 20 26 GLN HG2 H 2.314 . . 200 20 26 GLN HG3 H 2.314 . . 201 20 26 GLN C C 176.009 . . 202 20 26 GLN CA C 56.339 . . 203 20 26 GLN CB C 29.414 . . 204 20 26 GLN N N 120.790 . . 205 21 27 ASP H H 8.329 . . 206 21 27 ASP HA H 4.572 . . 207 21 27 ASP HB2 H 2.652 . . 208 21 27 ASP HB3 H 2.652 . . 209 21 27 ASP C C 176.810 . . 210 21 27 ASP CA C 54.760 . . 211 21 27 ASP CB C 40.885 . . 212 21 27 ASP N N 121.011 . . 213 22 28 THR H H 8.064 . . 214 22 28 THR HA H 4.257 . . 215 22 28 THR HB H 4.199 . . 216 22 28 THR HG2 H 1.168 . . 217 22 28 THR C C 175.133 . . 218 22 28 THR CA C 62.594 . . 219 22 28 THR CB C 69.605 . . 220 22 28 THR N N 114.334 . . 221 23 29 LEU H H 8.208 . . 222 23 29 LEU HA H 4.271 . . 223 23 29 LEU HB2 H 1.602 . . 224 23 29 LEU HB3 H 1.602 . . 225 23 29 LEU C C 178.049 . . 226 23 29 LEU CA C 56.128 . . 227 23 29 LEU CB C 42.042 . . 228 23 29 LEU N N 123.256 . . 229 24 30 CYS H H 8.329 . . 230 24 30 CYS HA H 4.588 . . 231 24 30 CYS HB2 H 2.969 . . 232 24 30 CYS HB3 H 3.189 . . 233 24 30 CYS C C 175.204 . . 234 24 30 CYS CA C 55.762 . . 235 24 30 CYS CB C 40.031 . . 236 24 30 CYS N N 118.222 . . 237 25 31 SER H H 8.289 . . 238 25 31 SER HA H 4.353 . . 239 25 31 SER HB2 H 3.860 . . 240 25 31 SER HB3 H 3.860 . . 241 25 31 SER C C 175.098 . . 242 25 31 SER CA C 59.037 . . 243 25 31 SER CB C 63.528 . . 244 25 31 SER N N 117.375 . . 245 26 32 MET H H 8.324 . . 246 26 32 MET HA H 4.431 . . 247 26 32 MET HB2 H 2.035 . . 248 26 32 MET HB3 H 2.035 . . 249 26 32 MET HG2 H 2.576 . . 250 26 32 MET HG3 H 2.576 . . 251 26 32 MET C C 176.837 . . 252 26 32 MET CA C 56.100 . . 253 26 32 MET CB C 32.353 . . 254 26 32 MET N N 121.770 . . 255 27 33 SER H H 8.158 . . 256 27 33 SER HA H 4.320 . . 257 27 33 SER HB2 H 3.840 . . 258 27 33 SER HB3 H 3.840 . . 259 27 33 SER C C 174.560 . . 260 27 33 SER CA C 59.090 . . 261 27 33 SER CB C 63.501 . . 262 27 33 SER N N 115.656 . . 263 28 34 ASN H H 8.263 . . 264 28 34 ASN HA H 4.641 . . 265 28 34 ASN HB2 H 2.769 . . 266 28 34 ASN HB3 H 2.769 . . 267 28 34 ASN C C 175.231 . . 268 28 34 ASN CA C 53.477 . . 269 28 34 ASN CB C 38.548 . . 270 28 34 ASN N N 120.009 . . 271 29 35 ARG H H 8.048 . . 272 29 35 ARG HA H 4.263 . . 273 29 35 ARG HB2 H 1.796 . . 274 29 35 ARG HB3 H 1.796 . . 275 29 35 ARG C C 176.395 . . 276 29 35 ARG CA C 56.494 . . 277 29 35 ARG CB C 30.719 . . 278 29 35 ARG N N 120.555 . . 279 30 36 VAL H H 8.021 . . 280 30 36 VAL HA H 4.007 . . 281 30 36 VAL HB H 1.999 . . 282 30 36 VAL C C 175.896 . . 283 30 36 VAL CA C 62.569 . . 284 30 36 VAL CB C 32.654 . . 285 30 36 VAL N N 120.370 . . 286 31 37 ASN H H 8.431 . . 287 31 37 ASN HA H 4.644 . . 288 31 37 ASN HB2 H 2.733 . . 289 31 37 ASN HB3 H 2.733 . . 290 31 37 ASN C C 175.230 . . 291 31 37 ASN CA C 53.186 . . 292 31 37 ASN CB C 38.808 . . 293 31 37 ASN N N 122.398 . . 294 32 38 LYS H H 8.315 . . 295 32 38 LYS HA H 4.251 . . 296 32 38 LYS HB2 H 1.693 . . 297 32 38 LYS HB3 H 1.693 . . 298 32 38 LYS C C 176.493 . . 299 32 38 LYS CA C 56.452 . . 300 32 38 LYS CB C 32.945 . . 301 32 38 LYS N N 122.338 . . 302 33 39 SER H H 8.266 . . 303 33 39 SER HA H 4.399 . . 304 33 39 SER HB2 H 3.813 . . 305 33 39 SER HB3 H 3.813 . . 306 33 39 SER C C 174.468 . . 307 33 39 SER CA C 58.461 . . 308 33 39 SER CB C 63.735 . . 309 33 39 SER N N 116.705 . . 310 34 40 VAL H H 8.055 . . 311 34 40 VAL HA H 4.082 . . 312 34 40 VAL HB H 2.019 . . 313 34 40 VAL C C 176.178 . . 314 34 40 VAL CA C 62.281 . . 315 34 40 VAL CB C 32.656 . . 316 34 40 VAL N N 121.779 . . 317 35 41 LYS H H 8.370 . . 318 35 41 LYS HA H 4.319 . . 319 35 41 LYS HB2 H 1.712 . . 320 35 41 LYS HB3 H 1.712 . . 321 35 41 LYS C C 176.648 . . 322 35 41 LYS CA C 56.318 . . 323 35 41 LYS CB C 32.934 . . 324 35 41 LYS N N 124.917 . . 325 36 42 THR H H 8.059 . . 326 36 42 THR HA H 4.215 . . 327 36 42 THR HB H 4.158 . . 328 36 42 THR HG2 H 1.126 . . 329 36 42 THR C C 174.895 . . 330 36 42 THR CA C 61.977 . . 331 36 42 THR CB C 69.772 . . 332 36 42 THR N N 115.038 . . 333 37 43 GLY H H 8.331 . . 334 37 43 GLY HA2 H 3.827 . . 335 37 43 GLY HA3 H 3.827 . . 336 37 43 GLY C C 173.624 . . 337 37 43 GLY CA C 45.193 . . 338 37 43 GLY N N 110.961 . . 339 38 44 TYR H H 7.951 . . 340 38 44 TYR HA H 4.399 . . 341 38 44 TYR HB2 H 2.796 . . 342 38 44 TYR HB3 H 2.796 . . 343 38 44 TYR C C 175.232 . . 344 38 44 TYR CA C 57.945 . . 345 38 44 TYR CB C 38.833 . . 346 38 44 TYR N N 120.163 . . 347 39 45 LEU H H 7.906 . . 348 39 45 LEU HA H 4.194 . . 349 39 45 LEU HB2 H 1.335 . . 350 39 45 LEU HB3 H 1.335 . . 351 39 45 LEU C C 175.969 . . 352 39 45 LEU CA C 54.584 . . 353 39 45 LEU CB C 42.472 . . 354 39 45 LEU N N 124.272 . . 355 40 46 PHE H H 8.043 . . 356 40 46 PHE HA H 4.732 . . 357 40 46 PHE HB2 H 3.066 . . 358 40 46 PHE HB3 H 2.826 . . 359 40 46 PHE C C 173.900 . . 360 40 46 PHE CA C 55.753 . . 361 40 46 PHE N N 121.623 . . 362 41 47 PRO HA H 4.339 . . 363 41 47 PRO HB2 H 2.214 . . 364 41 47 PRO HB3 H 1.904 . . 365 41 47 PRO C C 177.077 . . 366 41 47 PRO CA C 63.156 . . 367 41 47 PRO CB C 32.063 . . 368 42 48 LYS H H 8.379 . . 369 42 48 LYS HA H 4.185 . . 370 42 48 LYS HB2 H 1.721 . . 371 42 48 LYS HB3 H 1.721 . . 372 42 48 LYS C C 176.475 . . 373 42 48 LYS CA C 56.750 . . 374 42 48 LYS CB C 32.811 . . 375 42 48 LYS N N 121.049 . . 376 43 49 ASP H H 8.231 . . 377 43 49 ASP HA H 4.490 . . 378 43 49 ASP HB2 H 2.582 . . 379 43 49 ASP HB3 H 2.582 . . 380 43 49 ASP C C 175.719 . . 381 43 49 ASP CA C 54.204 . . 382 43 49 ASP CB C 40.900 . . 383 43 49 ASP N N 119.566 . . 384 44 50 HIS H H 8.251 . . 385 44 50 HIS HA H 4.574 . . 386 44 50 HIS HB2 H 3.125 . . 387 44 50 HIS HB3 H 3.125 . . 388 44 50 HIS C C 173.988 . . 389 44 50 HIS CA C 55.321 . . 390 44 50 HIS CB C 29.105 . . 391 44 50 HIS N N 118.241 . . 392 45 51 VAL H H 8.151 . . 393 45 51 VAL HA H 4.310 . . 394 45 51 VAL HB H 2.020 . . 395 45 51 VAL C C 174.390 . . 396 45 51 VAL CA C 59.989 . . 397 45 51 VAL N N 123.516 . . 398 46 52 PRO HA H 4.333 . . 399 46 52 PRO HB2 H 2.209 . . 400 46 52 PRO HB3 H 1.852 . . 401 46 52 PRO C C 176.844 . . 402 46 52 PRO CA C 63.161 . . 403 46 52 PRO CB C 32.031 . . 404 47 53 SER H H 8.327 . . 405 47 53 SER HA H 4.316 . . 406 47 53 SER HB2 H 3.821 . . 407 47 53 SER HB3 H 3.821 . . 408 47 53 SER C C 174.438 . . 409 47 53 SER CA C 58.413 . . 410 47 53 SER CB C 63.748 . . 411 47 53 SER N N 116.299 . . 412 48 54 ALA H H 8.349 . . 413 48 54 ALA HA H 4.245 . . 414 48 54 ALA HB H 1.320 . . 415 48 54 ALA C C 177.389 . . 416 48 54 ALA CA C 52.657 . . 417 48 54 ALA CB C 19.192 . . 418 48 54 ALA N N 125.732 . . 419 49 55 ASN H H 8.317 . . 420 49 55 ASN HA H 4.599 . . 421 49 55 ASN HB2 H 2.687 . . 422 49 55 ASN HB3 H 2.687 . . 423 49 55 ASN C C 174.928 . . 424 49 55 ASN CA C 53.323 . . 425 49 55 ASN CB C 38.679 . . 426 49 55 ASN N N 117.725 . . 427 50 56 ILE H H 7.973 . . 428 50 56 ILE HA H 4.074 . . 429 50 56 ILE HB H 1.816 . . 430 50 56 ILE C C 176.149 . . 431 50 56 ILE CA C 61.174 . . 432 50 56 ILE CB C 38.473 . . 433 50 56 ILE N N 121.453 . . 434 51 57 ILE H H 8.150 . . 435 51 57 ILE HA H 4.057 . . 436 51 57 ILE HB H 1.790 . . 437 51 57 ILE C C 175.827 . . 438 51 57 ILE CA C 61.052 . . 439 51 57 ILE CB C 38.292 . . 440 51 57 ILE N N 125.466 . . 441 52 58 ALA H H 8.287 . . 442 52 58 ALA HA H 4.270 . . 443 52 58 ALA HB H 1.321 . . 444 52 58 ALA C C 177.638 . . 445 52 58 ALA CA C 52.475 . . 446 52 58 ALA CB C 19.197 . . 447 52 58 ALA N N 128.524 . . 448 53 59 VAL H H 8.057 . . 449 53 59 VAL HA H 3.974 . . 450 53 59 VAL HB H 1.995 . . 451 53 59 VAL HG1 H 0.889 . . 452 53 59 VAL HG2 H 0.889 . . 453 53 59 VAL C C 176.330 . . 454 53 59 VAL CA C 62.603 . . 455 53 59 VAL CB C 32.772 . . 456 53 59 VAL N N 119.916 . . 457 54 60 GLU H H 8.463 . . 458 54 60 GLU HA H 4.207 . . 459 54 60 GLU HB2 H 1.937 . . 460 54 60 GLU HB3 H 1.901 . . 461 54 60 GLU C C 176.536 . . 462 54 60 GLU CA C 56.642 . . 463 54 60 GLU CB C 30.000 . . 464 54 60 GLU N N 124.336 . . 465 55 61 ARG H H 8.366 . . 466 55 61 ARG HA H 4.232 . . 467 55 61 ARG HB2 H 1.647 . . 468 55 61 ARG HB3 H 1.647 . . 469 55 61 ARG C C 176.238 . . 470 55 61 ARG CA C 55.926 . . 471 55 61 ARG CB C 30.608 . . 472 55 61 ARG N N 122.810 . . 473 56 62 ARG H H 8.388 . . 474 56 62 ARG HA H 4.303 . . 475 56 62 ARG HB2 H 1.787 . . 476 56 62 ARG HB3 H 1.787 . . 477 56 62 ARG HD2 H 3.141 . . 478 56 62 ARG HD3 H 3.141 . . 479 56 62 ARG C C 176.855 . . 480 56 62 ARG CA C 56.183 . . 481 56 62 ARG CB C 30.770 . . 482 56 62 ARG N N 122.850 . . 483 57 63 GLY H H 8.490 . . 484 57 63 GLY HA2 H 3.927 . . 485 57 63 GLY HA3 H 3.927 . . 486 57 63 GLY C C 174.604 . . 487 57 63 GLY CA C 45.268 . . 488 57 63 GLY N N 110.262 . . 489 58 64 GLY H H 8.305 . . 490 58 64 GLY HA2 H 3.921 . . 491 58 64 GLY HA3 H 3.921 . . 492 58 64 GLY C C 174.393 . . 493 58 64 GLY CA C 45.222 . . 494 58 64 GLY N N 108.744 . . 495 59 65 LEU H H 8.186 . . 496 59 65 LEU HA H 4.304 . . 497 59 65 LEU HB2 H 1.568 . . 498 59 65 LEU HB3 H 1.568 . . 499 59 65 LEU C C 177.796 . . 500 59 65 LEU CA C 55.452 . . 501 59 65 LEU CB C 42.368 . . 502 59 65 LEU N N 121.579 . . 503 60 66 SER H H 8.279 . . 504 60 66 SER HA H 4.364 . . 505 60 66 SER HB2 H 3.810 . . 506 60 66 SER HB3 H 3.810 . . 507 60 66 SER C C 174.243 . . 508 60 66 SER CA C 58.486 . . 509 60 66 SER CB C 63.742 . . 510 60 66 SER N N 115.710 . . 511 61 67 ASP H H 8.247 . . 512 61 67 ASP HA H 4.590 . . 513 61 67 ASP HB2 H 2.632 . . 514 61 67 ASP HB3 H 2.632 . . 515 61 67 ASP C C 176.326 . . 516 61 67 ASP CA C 54.260 . . 517 61 67 ASP CB C 40.873 . . 518 61 67 ASP N N 122.349 . . 519 62 68 ILE H H 7.959 . . 520 62 68 ILE HA H 4.079 . . 521 62 68 ILE HB H 1.873 . . 522 62 68 ILE HG2 H 0.863 . . 523 62 68 ILE C C 177.041 . . 524 62 68 ILE CA C 61.698 . . 525 62 68 ILE CB C 38.379 . . 526 62 68 ILE N N 120.422 . . 527 63 69 GLY H H 8.472 . . 528 63 69 GLY HA2 H 3.883 . . 529 63 69 GLY HA3 H 3.883 . . 530 63 69 GLY C C 174.176 . . 531 63 69 GLY CA C 45.374 . . 532 63 69 GLY N N 112.456 . . 533 64 70 LYS H H 8.008 . . 534 64 70 LYS HA H 4.253 . . 535 64 70 LYS HB2 H 1.752 . . 536 64 70 LYS HB3 H 1.752 . . 537 64 70 LYS HG2 H 1.357 . . 538 64 70 LYS HG3 H 1.357 . . 539 64 70 LYS C C 176.361 . . 540 64 70 LYS CA C 56.164 . . 541 64 70 LYS CB C 33.081 . . 542 64 70 LYS N N 120.500 . . 543 65 71 ASN H H 8.512 . . 544 65 71 ASN HA H 4.722 . . 545 65 71 ASN HB2 H 2.760 . . 546 65 71 ASN HB3 H 2.760 . . 547 65 71 ASN C C 175.427 . . 548 65 71 ASN CA C 53.338 . . 549 65 71 ASN CB C 38.806 . . 550 65 71 ASN N N 119.955 . . 551 66 72 THR H H 8.098 . . 552 66 72 THR HA H 4.314 . . 553 66 72 THR HG2 H 1.228 . . 554 66 72 THR C C 174.519 . . 555 66 72 THR CA C 61.680 . . 556 66 72 THR CB C 69.775 . . 557 66 72 THR N N 113.924 . . 558 67 73 SER H H 8.314 . . 559 67 73 SER HA H 4.429 . . 560 67 73 SER HB2 H 3.823 . . 561 67 73 SER HB3 H 3.823 . . 562 67 73 SER C C 173.348 . . 563 67 73 SER CA C 58.339 . . 564 67 73 SER CB C 63.996 . . 565 67 73 SER N N 118.118 . . 566 68 74 ASN H H 8.064 . . 567 68 74 ASN HA H 4.453 . . 568 68 74 ASN HB2 H 2.680 . . 569 68 74 ASN HB3 H 2.680 . . 570 68 74 ASN C C 179.479 . . 571 68 74 ASN CA C 54.823 . . 572 68 74 ASN N N 125.906 . . stop_ save_