data_25044 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Hug1 is an Intrinsically Disordered Protein that inhibits RNR activity. ; _BMRB_accession_number 25044 _BMRB_flat_file_name bmr25044.str _Entry_type original _Submission_date 2014-06-24 _Accession_date 2014-06-24 _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 Meurisse Julie . . 2 Dagnelie-Bacqin Agathe . . 3 Richet Nicolas . . 4 Charbonnier Jean-Baptiste . . 5 Ochsenbein Francoise . . 6 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" 288 "13C chemical shifts" 209 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-11 original BMRB . stop_ _Original_release_date 2014-06-24 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 . _System_physical_state native _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 _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; AMADPMTMDQGLNPKQFFLD DVVLQDTLCSMSNRVNKSVK TGYLFPKDHVPSANIIAVER RGGLSDIGKNTSN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 ALA 2 -3 MET 3 -2 ALA 4 -1 ASP 5 0 PRO 6 1 MET 7 2 THR 8 3 MET 9 4 ASP 10 5 GLN 11 6 GLY 12 7 LEU 13 8 ASN 14 9 PRO 15 10 LYS 16 11 GLN 17 12 PHE 18 13 PHE 19 14 LEU 20 15 ASP 21 16 ASP 22 17 VAL 23 18 VAL 24 19 LEU 25 20 GLN 26 21 ASP 27 22 THR 28 23 LEU 29 24 CYS 30 25 SER 31 26 MET 32 27 SER 33 28 ASN 34 29 ARG 35 30 VAL 36 31 ASN 37 32 LYS 38 33 SER 39 34 VAL 40 35 LYS 41 36 THR 42 37 GLY 43 38 TYR 44 39 LEU 45 40 PHE 46 41 PRO 47 42 LYS 48 43 ASP 49 44 HIS 50 45 VAL 51 46 PRO 52 47 SER 53 48 ALA 54 49 ASN 55 50 ILE 56 51 ILE 57 52 ALA 58 53 VAL 59 54 GLU 60 55 ARG 61 56 ARG 62 57 GLY 63 58 GLY 64 59 LEU 65 60 SER 66 61 ASP 67 62 ILE 68 63 GLY 69 64 LYS 70 65 ASN 71 66 THR 72 67 SER 73 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 'bakers 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 . pGST 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-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' DSS 0.1 mM 'natural abundance' 'sodium azide' 0.1 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _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' 0.07 . M pH 5 . pH pressure 1 . atm temperature 288 . 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 carbons' ppm 0 na indirect . . . 0.25 DSS H 1 protons ppm 0 na indirect . . . 1 DSS N 15 nitrogen ppm 0 na indirect . . . 0.1 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 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 -4 1 ALA H H 8.572 . . 2 -4 1 ALA HA H 4.287 . . 3 -4 1 ALA HB H 1.332 . . 4 -4 1 ALA C C 177.715 . . 5 -4 1 ALA CA C 52.544 . . 6 -4 1 ALA CB C 19.343 . . 7 -4 1 ALA N N 123.612 . . 8 -3 2 MET H H 8.423 . . 9 -3 2 MET HA H 4.398 . . 10 -3 2 MET HB2 H 1.968 . . 11 -3 2 MET HB3 H 1.968 . . 12 -3 2 MET HG2 H 2.531 . . 13 -3 2 MET HG3 H 2.531 . . 14 -3 2 MET C C 175.734 . . 15 -3 2 MET CA C 55.239 . . 16 -3 2 MET CB C 32.963 . . 17 -3 2 MET N N 120.000 . . 18 -2 3 ALA H H 8.308 . . 19 -2 3 ALA HA H 4.234 . . 20 -2 3 ALA HB H 1.302 . . 21 -2 3 ALA C C 176.974 . . 22 -2 3 ALA CA C 52.143 . . 23 -2 3 ALA CB C 19.198 . . 24 -2 3 ALA N N 125.670 . . 25 -1 4 ASP H H 8.286 . . 26 -1 4 ASP HA H 4.780 . . 27 -1 4 ASP HB2 H 2.740 . . 28 -1 4 ASP HB3 H 2.491 . . 29 -1 4 ASP C C 174.896 . . 30 -1 4 ASP CA C 52.891 . . 31 -1 4 ASP N N 121.571 . . 32 0 5 PRO HA H 4.309 . . 33 0 5 PRO HB2 H 1.878 . . 34 0 5 PRO HB3 H 2.253 . . 35 0 5 PRO C C 177.362 . . 36 0 5 PRO CA C 63.699 . . 37 0 5 PRO CB C 32.112 . . 38 1 6 MET H H 8.460 . . 39 1 6 MET HA H 4.407 . . 40 1 6 MET HB2 H 2.028 . . 41 1 6 MET HB3 H 2.028 . . 42 1 6 MET C C 176.864 . . 43 1 6 MET CA C 55.869 . . 44 1 6 MET CB C 32.166 . . 45 1 6 MET N N 118.592 . . 46 2 7 THR H H 7.921 . . 47 2 7 THR HA H 4.242 . . 48 2 7 THR HB H 3.928 . . 49 2 7 THR HG2 H 1.167 . . 50 2 7 THR C C 174.685 . . 51 2 7 THR CA C 62.030 . . 52 2 7 THR CB C 69.619 . . 53 2 7 THR N N 113.865 . . 54 3 8 MET H H 8.177 . . 55 3 8 MET HA H 4.388 . . 56 3 8 MET HB2 H 1.977 . . 57 3 8 MET HB3 H 1.977 . . 58 3 8 MET HG2 H 2.498 . . 59 3 8 MET HG3 H 2.498 . . 60 3 8 MET C C 175.935 . . 61 3 8 MET CA C 55.662 . . 62 3 8 MET CB C 32.809 . . 63 3 8 MET N N 122.317 . . 64 4 9 ASP H H 8.321 . . 65 4 9 ASP HA H 4.487 . . 66 4 9 ASP HB2 H 2.539 . . 67 4 9 ASP HB3 H 2.539 . . 68 4 9 ASP C C 176.451 . . 69 4 9 ASP CA C 54.510 . . 70 4 9 ASP CB C 40.879 . . 71 4 9 ASP N N 121.417 . . 72 5 10 GLN H H 8.396 . . 73 5 10 GLN HA H 4.203 . . 74 5 10 GLN HB2 H 1.926 . . 75 5 10 GLN HB3 H 2.028 . . 76 5 10 GLN HG2 H 2.328 . . 77 5 10 GLN HG3 H 2.328 . . 78 5 10 GLN C C 176.641 . . 79 5 10 GLN CA C 56.308 . . 80 5 10 GLN CB C 29.118 . . 81 5 10 GLN N N 121.271 . . 82 6 11 GLY H H 8.422 . . 83 6 11 GLY HA2 H 3.858 . . 84 6 11 GLY HA3 H 3.858 . . 85 6 11 GLY C C 174.099 . . 86 6 11 GLY CA C 45.414 . . 87 6 11 GLY N N 109.009 . . 88 7 12 LEU H H 7.942 . . 89 7 12 LEU HA H 4.249 . . 90 7 12 LEU HB2 H 1.517 . . 91 7 12 LEU HB3 H 1.517 . . 92 7 12 LEU C C 176.923 . . 93 7 12 LEU CA C 55.014 . . 94 7 12 LEU CB C 42.355 . . 95 7 12 LEU N N 120.700 . . 96 8 13 ASN H H 8.376 . . 97 8 13 ASN HA H 4.883 . . 98 8 13 ASN HB2 H 2.627 . . 99 8 13 ASN HB3 H 2.627 . . 100 8 13 ASN C C 173.213 . . 101 8 13 ASN CA C 51.298 . . 102 8 13 ASN N N 119.936 . . 103 9 14 PRO HA H 4.310 . . 104 9 14 PRO HB2 H 1.852 . . 105 9 14 PRO HB3 H 2.205 . . 106 9 14 PRO C C 177.105 . . 107 9 14 PRO CA C 63.434 . . 108 9 14 PRO CB C 32.078 . . 109 10 15 LYS H H 8.236 . . 110 10 15 LYS HA H 4.141 . . 111 10 15 LYS HB2 H 1.643 . . 112 10 15 LYS HB3 H 1.643 . . 113 10 15 LYS C C 176.561 . . 114 10 15 LYS CA C 56.464 . . 115 10 15 LYS CB C 32.644 . . 116 10 15 LYS N N 120.367 . . 117 11 16 GLN H H 8.047 . . 118 11 16 GLN HA H 4.108 . . 119 11 16 GLN HB2 H 2.060 . . 120 11 16 GLN HB3 H 2.060 . . 121 11 16 GLN C C 175.162 . . 122 11 16 GLN CA C 55.867 . . 123 11 16 GLN CB C 29.619 . . 124 11 16 GLN N N 120.424 . . 125 12 17 PHE H H 8.044 . . 126 12 17 PHE HA H 4.497 . . 127 12 17 PHE HB2 H 2.901 . . 128 12 17 PHE HB3 H 2.901 . . 129 12 17 PHE C C 174.928 . . 130 12 17 PHE CA C 57.586 . . 131 12 17 PHE CB C 39.762 . . 132 12 17 PHE N N 120.674 . . 133 13 18 PHE H H 8.102 . . 134 13 18 PHE HA H 4.566 . . 135 13 18 PHE HB2 H 2.941 . . 136 13 18 PHE HB3 H 2.941 . . 137 13 18 PHE C C 175.240 . . 138 13 18 PHE CA C 57.407 . . 139 13 18 PHE CB C 39.681 . . 140 13 18 PHE N N 121.442 . . 141 14 19 LEU H H 8.111 . . 142 14 19 LEU HA H 4.230 . . 143 14 19 LEU HB2 H 1.508 . . 144 14 19 LEU HB3 H 1.508 . . 145 14 19 LEU C C 176.738 . . 146 14 19 LEU CA C 55.137 . . 147 14 19 LEU CB C 42.392 . . 148 14 19 LEU N N 123.562 . . 149 15 20 ASP H H 8.155 . . 150 15 20 ASP HA H 4.485 . . 151 15 20 ASP HB2 H 2.575 . . 152 15 20 ASP HB3 H 2.575 . . 153 15 20 ASP C C 175.789 . . 154 15 20 ASP CA C 54.383 . . 155 15 20 ASP CB C 40.893 . . 156 15 20 ASP N N 120.559 . . 157 16 21 ASP H H 8.159 . . 158 16 21 ASP HA H 4.545 . . 159 16 21 ASP HB2 H 2.613 . . 160 16 21 ASP HB3 H 2.613 . . 161 16 21 ASP C C 176.166 . . 162 16 21 ASP CA C 54.437 . . 163 16 21 ASP CB C 41.045 . . 164 16 21 ASP N N 120.104 . . 165 17 22 VAL H H 7.959 . . 166 17 22 VAL HA H 4.077 . . 167 17 22 VAL HB H 1.991 . . 168 17 22 VAL C C 176.275 . . 169 17 22 VAL CA C 62.937 . . 170 17 22 VAL CB C 32.504 . . 171 17 22 VAL N N 120.570 . . 172 18 23 VAL H H 8.105 . . 173 18 23 VAL HA H 3.977 . . 174 18 23 VAL HB H 1.991 . . 175 18 23 VAL HG1 H 0.866 . . 176 18 23 VAL HG2 H 0.866 . . 177 18 23 VAL C C 176.530 . . 178 18 23 VAL CA C 62.816 . . 179 18 23 VAL CB C 32.363 . . 180 18 23 VAL N N 124.104 . . 181 19 24 LEU H H 8.230 . . 182 19 24 LEU HA H 4.268 . . 183 19 24 LEU HB2 H 1.553 . . 184 19 24 LEU HB3 H 1.553 . . 185 19 24 LEU C C 177.519 . . 186 19 24 LEU CA C 55.291 . . 187 19 24 LEU CB C 42.077 . . 188 19 24 LEU N N 125.876 . . 189 20 25 GLN H H 8.293 . . 190 20 25 GLN HA H 4.176 . . 191 20 25 GLN HB2 H 1.976 . . 192 20 25 GLN HB3 H 1.976 . . 193 20 25 GLN HG2 H 2.314 . . 194 20 25 GLN HG3 H 2.314 . . 195 20 25 GLN C C 176.009 . . 196 20 25 GLN CA C 56.339 . . 197 20 25 GLN CB C 29.414 . . 198 20 25 GLN N N 120.790 . . 199 21 26 ASP H H 8.329 . . 200 21 26 ASP HA H 4.572 . . 201 21 26 ASP HB2 H 2.652 . . 202 21 26 ASP HB3 H 2.652 . . 203 21 26 ASP C C 176.810 . . 204 21 26 ASP CA C 54.760 . . 205 21 26 ASP CB C 40.885 . . 206 21 26 ASP N N 121.011 . . 207 22 27 THR H H 8.064 . . 208 22 27 THR HA H 4.257 . . 209 22 27 THR HB H 4.199 . . 210 22 27 THR HG2 H 1.168 . . 211 22 27 THR C C 175.133 . . 212 22 27 THR CA C 62.594 . . 213 22 27 THR CB C 69.605 . . 214 22 27 THR N N 114.334 . . 215 23 28 LEU H H 8.208 . . 216 23 28 LEU HA H 4.271 . . 217 23 28 LEU HB2 H 1.602 . . 218 23 28 LEU HB3 H 1.602 . . 219 23 28 LEU C C 178.049 . . 220 23 28 LEU CA C 56.128 . . 221 23 28 LEU CB C 42.042 . . 222 23 28 LEU N N 123.256 . . 223 24 29 CYS H H 8.329 . . 224 24 29 CYS HA H 4.588 . . 225 24 29 CYS HB2 H 3.189 . . 226 24 29 CYS HB3 H 3.063 . . 227 24 29 CYS C C 175.204 . . 228 24 29 CYS CA C 55.762 . . 229 24 29 CYS CB C 40.031 . . 230 24 29 CYS N N 118.222 . . 231 25 30 SER H H 8.289 . . 232 25 30 SER HA H 4.353 . . 233 25 30 SER HB2 H 3.860 . . 234 25 30 SER HB3 H 3.860 . . 235 25 30 SER C C 175.098 . . 236 25 30 SER CA C 59.037 . . 237 25 30 SER CB C 63.528 . . 238 25 30 SER N N 117.375 . . 239 26 31 MET H H 8.324 . . 240 26 31 MET HA H 4.431 . . 241 26 31 MET HB2 H 2.035 . . 242 26 31 MET HB3 H 2.035 . . 243 26 31 MET HG2 H 2.576 . . 244 26 31 MET HG3 H 2.576 . . 245 26 31 MET C C 176.837 . . 246 26 31 MET CA C 56.100 . . 247 26 31 MET CB C 32.353 . . 248 26 31 MET N N 121.770 . . 249 27 32 SER H H 8.158 . . 250 27 32 SER HA H 4.320 . . 251 27 32 SER HB2 H 3.840 . . 252 27 32 SER HB3 H 3.840 . . 253 27 32 SER C C 174.560 . . 254 27 32 SER CA C 59.090 . . 255 27 32 SER CB C 63.501 . . 256 27 32 SER N N 115.656 . . 257 28 33 ASN H H 8.263 . . 258 28 33 ASN HA H 4.641 . . 259 28 33 ASN HB2 H 2.769 . . 260 28 33 ASN HB3 H 2.769 . . 261 28 33 ASN C C 175.231 . . 262 28 33 ASN CA C 53.477 . . 263 28 33 ASN CB C 38.548 . . 264 28 33 ASN N N 120.009 . . 265 29 34 ARG H H 8.048 . . 266 29 34 ARG HA H 4.263 . . 267 29 34 ARG HB2 H 1.796 . . 268 29 34 ARG HB3 H 1.796 . . 269 29 34 ARG C C 176.395 . . 270 29 34 ARG CA C 56.494 . . 271 29 34 ARG CB C 30.719 . . 272 29 34 ARG N N 120.555 . . 273 30 35 VAL H H 8.021 . . 274 30 35 VAL HA H 4.007 . . 275 30 35 VAL HB H 1.999 . . 276 30 35 VAL C C 175.896 . . 277 30 35 VAL CA C 62.569 . . 278 30 35 VAL CB C 32.654 . . 279 30 35 VAL N N 120.370 . . 280 31 36 ASN H H 8.431 . . 281 31 36 ASN HA H 4.644 . . 282 31 36 ASN HB2 H 2.733 . . 283 31 36 ASN HB3 H 2.733 . . 284 31 36 ASN C C 175.230 . . 285 31 36 ASN CA C 53.186 . . 286 31 36 ASN CB C 38.808 . . 287 31 36 ASN N N 122.398 . . 288 32 37 LYS H H 8.315 . . 289 32 37 LYS HA H 4.251 . . 290 32 37 LYS HB2 H 1.693 . . 291 32 37 LYS HB3 H 1.693 . . 292 32 37 LYS C C 176.493 . . 293 32 37 LYS CA C 56.452 . . 294 32 37 LYS CB C 32.945 . . 295 32 37 LYS N N 122.338 . . 296 33 38 SER H H 8.266 . . 297 33 38 SER HA H 4.399 . . 298 33 38 SER HB2 H 3.813 . . 299 33 38 SER HB3 H 3.813 . . 300 33 38 SER C C 174.468 . . 301 33 38 SER CA C 58.461 . . 302 33 38 SER CB C 63.735 . . 303 33 38 SER N N 116.705 . . 304 34 39 VAL H H 8.055 . . 305 34 39 VAL HA H 4.082 . . 306 34 39 VAL HB H 2.019 . . 307 34 39 VAL C C 176.178 . . 308 34 39 VAL CA C 62.281 . . 309 34 39 VAL CB C 32.656 . . 310 34 39 VAL N N 121.779 . . 311 35 40 LYS H H 8.370 . . 312 35 40 LYS HA H 4.319 . . 313 35 40 LYS HB2 H 1.712 . . 314 35 40 LYS HB3 H 1.712 . . 315 35 40 LYS C C 176.648 . . 316 35 40 LYS CA C 56.318 . . 317 35 40 LYS CB C 32.934 . . 318 35 40 LYS N N 124.917 . . 319 36 41 THR H H 8.059 . . 320 36 41 THR HA H 4.215 . . 321 36 41 THR HB H 4.158 . . 322 36 41 THR HG2 H 1.126 . . 323 36 41 THR C C 174.895 . . 324 36 41 THR CA C 61.977 . . 325 36 41 THR CB C 69.772 . . 326 36 41 THR N N 115.038 . . 327 37 42 GLY H H 8.331 . . 328 37 42 GLY HA2 H 3.827 . . 329 37 42 GLY HA3 H 3.827 . . 330 37 42 GLY C C 173.624 . . 331 37 42 GLY CA C 45.193 . . 332 37 42 GLY N N 110.961 . . 333 38 43 TYR H H 7.951 . . 334 38 43 TYR HA H 4.399 . . 335 38 43 TYR HB2 H 2.796 . . 336 38 43 TYR HB3 H 2.796 . . 337 38 43 TYR C C 175.232 . . 338 38 43 TYR CA C 57.945 . . 339 38 43 TYR CB C 38.833 . . 340 38 43 TYR N N 120.163 . . 341 39 44 LEU H H 7.906 . . 342 39 44 LEU HA H 4.194 . . 343 39 44 LEU HB2 H 1.335 . . 344 39 44 LEU HB3 H 1.335 . . 345 39 44 LEU C C 175.969 . . 346 39 44 LEU CA C 54.584 . . 347 39 44 LEU CB C 42.472 . . 348 39 44 LEU N N 124.272 . . 349 40 45 PHE H H 8.043 . . 350 40 45 PHE HA H 4.732 . . 351 40 45 PHE HB2 H 2.826 . . 352 40 45 PHE HB3 H 3.066 . . 353 40 45 PHE C C 173.900 . . 354 40 45 PHE CA C 55.753 . . 355 40 45 PHE N N 121.623 . . 356 41 46 PRO HA H 4.339 . . 357 41 46 PRO HB2 H 1.904 . . 358 41 46 PRO HB3 H 2.214 . . 359 41 46 PRO C C 177.077 . . 360 41 46 PRO CA C 63.156 . . 361 41 46 PRO CB C 32.063 . . 362 42 47 LYS H H 8.379 . . 363 42 47 LYS HA H 4.185 . . 364 42 47 LYS HB2 H 1.721 . . 365 42 47 LYS HB3 H 1.721 . . 366 42 47 LYS C C 176.475 . . 367 42 47 LYS CA C 56.750 . . 368 42 47 LYS CB C 32.811 . . 369 42 47 LYS N N 121.049 . . 370 43 48 ASP H H 8.231 . . 371 43 48 ASP HA H 4.490 . . 372 43 48 ASP HB2 H 2.582 . . 373 43 48 ASP HB3 H 2.582 . . 374 43 48 ASP C C 175.719 . . 375 43 48 ASP CA C 54.204 . . 376 43 48 ASP CB C 40.900 . . 377 43 48 ASP N N 119.566 . . 378 44 49 HIS H H 8.251 . . 379 44 49 HIS HA H 4.574 . . 380 44 49 HIS HB2 H 3.125 . . 381 44 49 HIS HB3 H 3.125 . . 382 44 49 HIS C C 173.988 . . 383 44 49 HIS CA C 55.321 . . 384 44 49 HIS CB C 29.105 . . 385 44 49 HIS N N 118.241 . . 386 45 50 VAL H H 8.151 . . 387 45 50 VAL HA H 4.310 . . 388 45 50 VAL HB H 2.020 . . 389 45 50 VAL C C 174.390 . . 390 45 50 VAL CA C 59.989 . . 391 45 50 VAL N N 123.516 . . 392 46 51 PRO HA H 4.333 . . 393 46 51 PRO HB2 H 1.852 . . 394 46 51 PRO HB3 H 2.209 . . 395 46 51 PRO C C 176.844 . . 396 46 51 PRO CA C 63.161 . . 397 46 51 PRO CB C 32.031 . . 398 47 52 SER H H 8.327 . . 399 47 52 SER HA H 4.316 . . 400 47 52 SER HB2 H 3.821 . . 401 47 52 SER HB3 H 3.821 . . 402 47 52 SER C C 174.438 . . 403 47 52 SER CA C 58.413 . . 404 47 52 SER CB C 63.748 . . 405 47 52 SER N N 116.299 . . 406 48 53 ALA H H 8.349 . . 407 48 53 ALA HA H 4.245 . . 408 48 53 ALA HB H 1.320 . . 409 48 53 ALA C C 177.389 . . 410 48 53 ALA CA C 52.657 . . 411 48 53 ALA CB C 19.192 . . 412 48 53 ALA N N 125.732 . . 413 49 54 ASN H H 8.317 . . 414 49 54 ASN HA H 4.599 . . 415 49 54 ASN HB2 H 2.687 . . 416 49 54 ASN HB3 H 2.687 . . 417 49 54 ASN C C 174.928 . . 418 49 54 ASN CA C 53.323 . . 419 49 54 ASN CB C 38.679 . . 420 49 54 ASN N N 117.725 . . 421 50 55 ILE H H 7.973 . . 422 50 55 ILE HA H 4.074 . . 423 50 55 ILE HB H 1.816 . . 424 50 55 ILE C C 176.149 . . 425 50 55 ILE CA C 61.174 . . 426 50 55 ILE CB C 38.473 . . 427 50 55 ILE N N 121.453 . . 428 51 56 ILE H H 8.150 . . 429 51 56 ILE HA H 4.057 . . 430 51 56 ILE HB H 1.790 . . 431 51 56 ILE C C 175.827 . . 432 51 56 ILE CA C 61.052 . . 433 51 56 ILE CB C 38.292 . . 434 51 56 ILE N N 125.466 . . 435 52 57 ALA H H 8.287 . . 436 52 57 ALA HA H 4.270 . . 437 52 57 ALA HB H 1.321 . . 438 52 57 ALA C C 177.638 . . 439 52 57 ALA CA C 52.475 . . 440 52 57 ALA CB C 19.197 . . 441 52 57 ALA N N 128.524 . . 442 53 58 VAL H H 8.057 . . 443 53 58 VAL HA H 3.974 . . 444 53 58 VAL HB H 1.995 . . 445 53 58 VAL HG1 H 0.889 . . 446 53 58 VAL HG2 H 0.889 . . 447 53 58 VAL C C 176.330 . . 448 53 58 VAL CA C 62.603 . . 449 53 58 VAL CB C 32.772 . . 450 53 58 VAL N N 119.916 . . 451 54 59 GLU H H 8.463 . . 452 54 59 GLU HA H 4.207 . . 453 54 59 GLU HB2 H 1.901 . . 454 54 59 GLU HB3 H 1.937 . . 455 54 59 GLU C C 176.536 . . 456 54 59 GLU CA C 56.642 . . 457 54 59 GLU CB C 30.000 . . 458 54 59 GLU N N 124.336 . . 459 55 60 ARG H H 8.366 . . 460 55 60 ARG HA H 4.232 . . 461 55 60 ARG HB2 H 1.647 . . 462 55 60 ARG HB3 H 1.647 . . 463 55 60 ARG C C 176.238 . . 464 55 60 ARG CA C 55.926 . . 465 55 60 ARG CB C 30.608 . . 466 55 60 ARG N N 122.810 . . 467 56 61 ARG H H 8.388 . . 468 56 61 ARG HA H 4.303 . . 469 56 61 ARG HB2 H 1.787 . . 470 56 61 ARG HB3 H 1.787 . . 471 56 61 ARG HD2 H 3.141 . . 472 56 61 ARG HD3 H 3.141 . . 473 56 61 ARG C C 176.855 . . 474 56 61 ARG CA C 56.183 . . 475 56 61 ARG CB C 30.770 . . 476 56 61 ARG N N 122.850 . . 477 57 62 GLY H H 8.490 . . 478 57 62 GLY HA2 H 3.927 . . 479 57 62 GLY HA3 H 3.927 . . 480 57 62 GLY C C 174.604 . . 481 57 62 GLY CA C 45.268 . . 482 57 62 GLY N N 110.262 . . 483 58 63 GLY H H 8.305 . . 484 58 63 GLY HA2 H 3.921 . . 485 58 63 GLY HA3 H 3.921 . . 486 58 63 GLY C C 174.393 . . 487 58 63 GLY CA C 45.222 . . 488 58 63 GLY N N 108.744 . . 489 59 64 LEU H H 8.186 . . 490 59 64 LEU HA H 4.304 . . 491 59 64 LEU HB2 H 1.568 . . 492 59 64 LEU HB3 H 1.568 . . 493 59 64 LEU C C 177.796 . . 494 59 64 LEU CA C 55.452 . . 495 59 64 LEU CB C 42.368 . . 496 59 64 LEU N N 121.579 . . 497 60 65 SER H H 8.279 . . 498 60 65 SER HA H 4.364 . . 499 60 65 SER HB2 H 3.810 . . 500 60 65 SER HB3 H 3.810 . . 501 60 65 SER C C 174.243 . . 502 60 65 SER CA C 58.486 . . 503 60 65 SER CB C 63.742 . . 504 60 65 SER N N 115.710 . . 505 61 66 ASP H H 8.247 . . 506 61 66 ASP HA H 4.590 . . 507 61 66 ASP HB2 H 2.632 . . 508 61 66 ASP HB3 H 2.632 . . 509 61 66 ASP C C 176.326 . . 510 61 66 ASP CA C 54.260 . . 511 61 66 ASP CB C 40.873 . . 512 61 66 ASP N N 122.349 . . 513 62 67 ILE H H 7.959 . . 514 62 67 ILE HA H 4.079 . . 515 62 67 ILE HB H 1.873 . . 516 62 67 ILE HG2 H 0.863 . . 517 62 67 ILE C C 177.041 . . 518 62 67 ILE CA C 61.698 . . 519 62 67 ILE CB C 38.379 . . 520 62 67 ILE N N 120.422 . . 521 63 68 GLY H H 8.472 . . 522 63 68 GLY HA2 H 3.883 . . 523 63 68 GLY HA3 H 3.883 . . 524 63 68 GLY C C 174.176 . . 525 63 68 GLY CA C 45.374 . . 526 63 68 GLY N N 112.456 . . 527 64 69 LYS H H 8.008 . . 528 64 69 LYS HA H 4.253 . . 529 64 69 LYS HB2 H 1.752 . . 530 64 69 LYS HB3 H 1.752 . . 531 64 69 LYS HG2 H 1.357 . . 532 64 69 LYS HG3 H 1.357 . . 533 64 69 LYS C C 176.361 . . 534 64 69 LYS CA C 56.164 . . 535 64 69 LYS CB C 33.081 . . 536 64 69 LYS N N 120.500 . . 537 65 70 ASN H H 8.512 . . 538 65 70 ASN HA H 4.722 . . 539 65 70 ASN HB2 H 2.760 . . 540 65 70 ASN HB3 H 2.760 . . 541 65 70 ASN C C 175.427 . . 542 65 70 ASN CA C 53.338 . . 543 65 70 ASN CB C 38.806 . . 544 65 70 ASN N N 119.955 . . 545 66 71 THR H H 8.098 . . 546 66 71 THR HA H 4.314 . . 547 66 71 THR HG2 H 1.228 . . 548 66 71 THR C C 174.519 . . 549 66 71 THR CA C 61.680 . . 550 66 71 THR CB C 69.775 . . 551 66 71 THR N N 113.924 . . 552 67 72 SER H H 8.314 . . 553 67 72 SER HA H 4.429 . . 554 67 72 SER HB2 H 3.823 . . 555 67 72 SER HB3 H 3.823 . . 556 67 72 SER C C 173.348 . . 557 67 72 SER CA C 58.339 . . 558 67 72 SER CB C 63.996 . . 559 67 72 SER N N 118.118 . . 560 68 73 ASN H H 8.064 . . 561 68 73 ASN HA H 4.453 . . 562 68 73 ASN HB2 H 2.680 . . 563 68 73 ASN HB3 H 2.680 . . 564 68 73 ASN C C 179.479 . . 565 68 73 ASN CA C 54.823 . . 566 68 73 ASN N N 125.906 . . stop_ save_