data_50168 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; J-domain region of DnaJA2 ; _BMRB_accession_number 50168 _BMRB_flat_file_name bmr50168.str _Entry_type original _Submission_date 2020-01-26 _Accession_date 2020-01-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details '15N,1H(N), C, CA, CB chemical shifts of DnaJA2 J-domain region' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rosenzweig Rina . . 2 Abayev-Avraham Meital . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 68 "13C chemical shifts" 204 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-11-17 update author 'update entry citation' 2020-11-11 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 50167 'DnaJB1 J-domain+G/F rich region' 50169 'DnaJB1 J-domain' stop_ _Original_release_date 2020-01-27 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Hsp40s employ class-specific regulation to drive Hsp70 functional diversity ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 33177718 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rosenzweig Rina . . 2 Abayev-Avraham Maital . . 3 Faust Ofrah . . 4 Maurer Michael . . 5 Wentink Anne . . 6 Bukau Bernd . . 7 Nillegoda Nadinath B. . 8 London Nir . . stop_ _Journal_abbreviation Nature _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'J-domain region of DnaJA2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'J-domain region of DnaJA2' $entity_1_J-domain_of_DnaJA2 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_entity_1_J-domain_of_DnaJA2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'J-domain of DnaJA2' _Molecular_mass 8777 _Mol_thiol_state 'all free' loop_ _Biological_function 'Heat Shock Protein from the J-domain family (Hsp40). Chaperone' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; MANVADTKLYDILGVPPGAS ENELKKAYRKLAKEYHPDKN PNAGDKFKEISFAYEVLSNP EKRELYDRYGEQGLREG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ASN 4 VAL 5 ALA 6 ASP 7 THR 8 LYS 9 LEU 10 TYR 11 ASP 12 ILE 13 LEU 14 GLY 15 VAL 16 PRO 17 PRO 18 GLY 19 ALA 20 SER 21 GLU 22 ASN 23 GLU 24 LEU 25 LYS 26 LYS 27 ALA 28 TYR 29 ARG 30 LYS 31 LEU 32 ALA 33 LYS 34 GLU 35 TYR 36 HIS 37 PRO 38 ASP 39 LYS 40 ASN 41 PRO 42 ASN 43 ALA 44 GLY 45 ASP 46 LYS 47 PHE 48 LYS 49 GLU 50 ILE 51 SER 52 PHE 53 ALA 54 TYR 55 GLU 56 VAL 57 LEU 58 SER 59 ASN 60 PRO 61 GLU 62 LYS 63 ARG 64 GLU 65 LEU 66 TYR 67 ASP 68 ARG 69 TYR 70 GLY 71 GLU 72 GLN 73 GLY 74 LEU 75 ARG 76 GLU 77 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1_J-domain_of_DnaJA2 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1_J-domain_of_DnaJA2 'recombinant technology' . . . . plasmid pET29b 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 HEPES 50 mM 'natural abundance' KCl 50 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 4.0.6 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_2_CcpNMR _Saveframe_category software _Name CcpNMR _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1_18.8T _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details '800 MHz Bruker spectrometers equipped with triple resonance single (z) gradient cryoprobes.' 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_HCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details '1H(N), 15N(H), 13C: CO,CA, CB' 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 2.7 internal direct . . . 1 DSS H 1 'methyl protons' ppm 0.08 internal direct . . . 1 na N 15 nitrogen na 0 external indirect . . . 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_chemical_shifts_1_A2JD _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HCACO' 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 'J-domain region of DnaJA2' _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 2 2 ALA H H 8.275 0.024 1 2 2 2 ALA C C 176.801 0.000 1 3 2 2 ALA CA C 50.713 0.006 1 4 2 2 ALA CB C 17.509 0.000 1 5 2 2 ALA N N 126.455 1.025 1 6 3 3 ASN H H 8.216 0.025 1 7 3 3 ASN C C 174.665 0.000 1 8 3 3 ASN CA C 51.173 0.075 1 9 3 3 ASN CB C 37.385 0.000 1 10 3 3 ASN N N 119.667 1.185 1 11 4 4 VAL H H 7.755 0.020 1 12 4 4 VAL C C 175.490 0.000 1 13 4 4 VAL CA C 58.761 0.036 1 14 4 4 VAL CB C 31.275 0.000 1 15 4 4 VAL N N 117.314 0.924 1 16 5 5 ALA H H 8.248 0.019 1 17 5 5 ALA C C 178.093 0.000 1 18 5 5 ALA CA C 52.878 0.012 1 19 5 5 ALA CB C 16.745 0.000 1 20 5 5 ALA N N 128.176 0.990 1 21 6 6 ASP H H 9.032 0.022 1 22 6 6 ASP C C 176.014 0.000 1 23 6 6 ASP CA C 51.911 0.039 1 24 6 6 ASP CB C 42.410 0.000 1 25 6 6 ASP N N 119.630 1.119 1 26 7 7 THR H H 8.579 0.026 1 27 7 7 THR C C 176.062 0.000 1 28 7 7 THR CA C 61.317 0.098 1 29 7 7 THR CB C 67.026 0.000 1 30 7 7 THR N N 115.365 1.232 1 31 8 8 LYS H H 8.400 0.020 1 32 8 8 LYS C C 178.316 0.000 1 33 8 8 LYS CA C 59.637 0.055 1 34 8 8 LYS CB C 31.108 0.000 1 35 8 8 LYS N N 126.051 1.065 1 36 9 9 LEU H H 8.287 0.019 1 37 9 9 LEU C C 177.787 0.000 1 38 9 9 LEU CA C 56.518 0.000 1 39 9 9 LEU CB C 38.538 0.000 1 40 9 9 LEU N N 115.347 1.025 1 41 10 10 TYR H H 6.756 0.011 1 42 10 10 TYR C C 178.180 0.000 1 43 10 10 TYR CA C 60.355 0.000 1 44 10 10 TYR CB C 34.821 0.000 1 45 10 10 TYR N N 114.615 0.092 1 46 11 11 ASP H H 8.679 0.022 1 47 11 11 ASP C C 180.189 0.000 1 48 11 11 ASP CA C 55.536 0.032 1 49 11 11 ASP CB C 38.139 0.000 1 50 11 11 ASP N N 121.475 1.133 1 51 12 12 ILE H H 8.061 0.026 1 52 12 12 ILE C C 177.011 0.000 1 53 12 12 ILE CA C 63.089 0.000 1 54 12 12 ILE CB C 36.190 0.000 1 55 12 12 ILE N N 122.993 1.120 1 56 13 13 LEU H H 6.731 0.018 1 57 13 13 LEU C C 175.703 0.000 1 58 13 13 LEU CA C 53.086 0.000 1 59 13 13 LEU CB C 41.290 0.000 1 60 13 13 LEU N N 117.606 1.082 1 61 14 14 GLY H H 7.960 0.020 1 62 14 14 GLY C C 175.175 0.000 1 63 14 14 GLY CA C 44.822 0.019 1 64 14 14 GLY N N 109.630 1.082 1 65 15 15 VAL H H 7.676 0.018 1 66 15 15 VAL C C 172.392 0.000 1 67 15 15 VAL CA C 55.198 0.000 1 68 15 15 VAL CB C 31.149 0.000 1 69 15 15 VAL N N 113.302 0.966 1 70 18 18 GLY H H 7.273 0.029 1 71 18 18 GLY C C 174.378 0.000 1 72 18 18 GLY CA C 42.840 0.025 1 73 18 18 GLY N N 106.488 1.214 1 74 19 19 ALA H H 7.384 0.023 1 75 19 19 ALA C C 177.373 0.000 1 76 19 19 ALA CA C 50.975 0.004 1 77 19 19 ALA CB C 17.702 0.000 1 78 19 19 ALA N N 123.875 0.950 1 79 20 20 SER H H 8.890 0.029 1 80 20 20 SER C C 174.735 0.000 1 81 20 20 SER CA C 55.444 0.035 1 82 20 20 SER CB C 63.913 0.000 1 83 20 20 SER N N 120.005 0.912 1 84 21 21 GLU H H 9.129 0.002 1 85 21 21 GLU C C 179.053 0.000 1 86 21 21 GLU CA C 58.926 0.000 1 87 21 21 GLU CB C 27.708 0.000 1 88 21 21 GLU N N 119.660 0.030 1 89 22 22 ASN C C 177.955 0.000 1 90 22 22 ASN CA C 54.813 0.000 1 91 22 22 ASN CB C 36.729 0.000 1 92 23 23 GLU H H 7.875 0.000 1 93 23 23 GLU C C 179.945 0.000 1 94 23 23 GLU CB C 28.048 0.000 1 95 23 23 GLU N N 122.982 0.888 1 96 24 24 LEU H H 8.373 0.027 1 97 24 24 LEU C C 177.927 0.000 1 98 24 24 LEU CA C 57.020 0.000 1 99 24 24 LEU CB C 40.937 0.000 1 100 24 24 LEU N N 121.880 1.143 1 101 25 25 LYS H H 8.028 0.000 1 102 25 25 LYS C C 178.492 0.000 1 103 25 25 LYS N N 117.657 0.018 1 104 26 26 LYS H H 7.971 0.034 1 105 26 26 LYS C C 179.217 0.000 1 106 26 26 LYS CA C 58.234 0.000 1 107 26 26 LYS CB C 30.979 0.000 1 108 26 26 LYS N N 120.397 0.727 1 109 27 27 ALA H H 7.806 0.019 1 110 27 27 ALA C C 179.750 0.000 1 111 27 27 ALA CA C 53.484 0.013 1 112 27 27 ALA CB C 17.239 0.019 1 113 27 27 ALA N N 123.595 1.245 1 114 28 28 TYR H H 8.308 0.023 1 115 28 28 TYR C C 176.243 0.000 1 116 28 28 TYR CA C 59.939 0.049 1 117 28 28 TYR CB C 37.265 0.000 1 118 28 28 TYR N N 119.240 0.982 1 119 29 29 ARG H H 8.283 0.019 1 120 29 29 ARG C C 179.157 0.000 1 121 29 29 ARG CA C 57.778 0.032 1 122 29 29 ARG CB C 28.020 0.025 1 123 29 29 ARG N N 118.738 0.852 1 124 30 30 LYS H H 7.463 0.018 1 125 30 30 LYS C C 179.149 0.000 1 126 30 30 LYS CA C 57.859 0.000 1 127 30 30 LYS CB C 31.070 0.000 1 128 30 30 LYS N N 120.778 0.784 1 129 31 31 LEU H H 7.870 0.018 1 130 31 31 LEU C C 178.870 0.000 1 131 31 31 LEU CA C 55.970 0.030 1 132 31 31 LEU CB C 40.888 0.000 1 133 31 31 LEU N N 121.998 0.971 1 134 32 32 ALA H H 8.985 0.025 1 135 32 32 ALA C C 179.376 0.000 1 136 32 32 ALA CA C 53.402 0.008 1 137 32 32 ALA CB C 15.313 0.000 1 138 32 32 ALA N N 123.677 0.943 1 139 33 33 LYS H H 7.100 0.003 1 140 33 33 LYS C C 177.957 0.000 1 141 33 33 LYS CA C 57.178 0.000 1 142 33 33 LYS CB C 30.716 0.000 1 143 33 33 LYS N N 114.259 0.079 1 144 34 34 GLU H H 7.189 0.018 1 145 34 34 GLU C C 177.846 0.000 1 146 34 34 GLU CA C 56.235 0.029 1 147 34 34 GLU CB C 28.486 0.000 1 148 34 34 GLU N N 118.726 0.927 1 149 35 35 TYR H H 7.916 0.022 1 150 35 35 TYR C C 173.323 0.000 1 151 35 35 TYR CA C 55.538 0.084 1 152 35 35 TYR CB C 36.939 0.000 1 153 35 35 TYR N N 116.118 0.794 1 154 36 36 HIS H H 7.245 0.026 1 155 36 36 HIS C C 175.402 0.000 1 156 36 36 HIS CA C 55.057 0.000 1 157 36 36 HIS CB C 29.639 0.000 1 158 36 36 HIS N N 123.787 0.686 1 159 37 37 PRO CA C 63.060 0.000 1 160 37 37 PRO CB C 30.283 0.000 1 161 38 38 ASP H H 10.269 0.022 1 162 38 38 ASP C C 177.361 0.000 1 163 38 38 ASP CA C 54.635 0.000 1 164 38 38 ASP CB C 38.672 0.000 1 165 38 38 ASP N N 119.276 0.000 1 166 39 39 LYS H H 7.827 0.024 1 167 39 39 LYS C C 176.196 0.000 1 168 39 39 LYS CA C 54.286 0.009 1 169 39 39 LYS CB C 32.059 0.031 1 170 39 39 LYS N N 119.298 1.116 1 171 40 40 ASN H H 8.820 0.000 1 172 40 40 ASN CA C 48.398 0.003 1 173 40 40 ASN CB C 37.620 0.000 1 174 40 40 ASN N N 117.924 0.000 1 175 41 41 PRO C C 177.532 0.000 1 176 42 42 ASN H H 8.265 0.017 1 177 42 42 ASN C C 175.380 0.000 1 178 42 42 ASN CA C 51.971 0.055 1 179 42 42 ASN CB C 37.107 0.000 1 180 42 42 ASN N N 117.498 0.978 1 181 43 43 ALA H H 7.528 0.014 1 182 43 43 ALA C C 177.613 0.000 1 183 43 43 ALA CA C 50.668 0.004 1 184 43 43 ALA CB C 18.004 0.000 1 185 43 43 ALA N N 115.048 0.099 1 186 44 44 GLY H H 8.235 0.021 1 187 44 44 GLY C C 176.266 0.000 1 188 44 44 GLY CA C 46.114 0.008 1 189 44 44 GLY N N 109.204 1.074 1 190 45 45 ASP C C 178.304 0.000 1 191 45 45 ASP CA C 54.874 0.000 1 192 45 45 ASP CB C 38.183 0.000 1 193 46 46 LYS H H 7.755 0.032 1 194 46 46 LYS C C 178.895 0.000 1 195 46 46 LYS CA C 56.951 0.034 1 196 46 46 LYS CB C 29.938 0.040 1 197 46 46 LYS N N 123.908 0.782 1 198 47 47 PHE H H 8.765 0.022 1 199 47 47 PHE C C 178.043 0.000 1 200 47 47 PHE CA C 60.117 0.043 1 201 47 47 PHE CB C 36.838 0.000 1 202 47 47 PHE N N 120.457 1.064 1 203 48 48 LYS H H 8.021 0.016 1 204 48 48 LYS C C 179.102 0.000 1 205 48 48 LYS CA C 58.448 0.000 1 206 48 48 LYS CB C 30.460 0.000 1 207 48 48 LYS N N 122.351 1.157 1 208 49 49 GLU H H 7.547 0.019 1 209 49 49 GLU C C 178.996 0.000 1 210 49 49 GLU CA C 57.534 0.000 1 211 49 49 GLU CB C 28.140 0.000 1 212 49 49 GLU N N 118.885 0.054 1 213 50 50 ILE H H 7.952 0.007 1 214 50 50 ILE C C 177.290 0.000 1 215 50 50 ILE CA C 63.568 0.000 1 216 50 50 ILE CB C 36.852 0.000 1 217 50 50 ILE N N 117.657 0.029 1 218 51 51 SER H H 8.123 0.000 1 219 51 51 SER CA C 60.841 0.000 1 220 51 51 SER N N 117.014 1.113 1 221 52 52 PHE H H 7.912 0.016 1 222 52 52 PHE C C 175.908 0.000 1 223 52 52 PHE CA C 59.319 0.030 1 224 52 52 PHE N N 124.692 1.250 1 225 53 53 ALA H H 7.879 0.018 1 226 53 53 ALA C C 178.542 0.000 1 227 53 53 ALA CA C 53.598 0.000 1 228 53 53 ALA CB C 17.009 0.000 1 229 53 53 ALA N N 120.750 1.021 1 230 54 54 TYR H H 8.101 0.025 1 231 54 54 TYR C C 177.450 0.000 1 232 54 54 TYR CA C 60.258 0.031 1 233 54 54 TYR CB C 37.483 0.000 1 234 54 54 TYR N N 116.425 0.970 1 235 55 55 GLU H H 8.301 0.023 1 236 55 55 GLU C C 177.946 0.000 1 237 55 55 GLU CA C 57.940 0.000 1 238 55 55 GLU CB C 27.098 0.000 1 239 55 55 GLU N N 123.154 1.388 1 240 56 56 VAL H H 7.219 0.025 1 241 56 56 VAL C C 176.296 0.000 1 242 56 56 VAL CA C 64.304 0.097 1 243 56 56 VAL CB C 30.250 0.000 1 244 56 56 VAL N N 118.005 1.039 1 245 57 57 LEU C C 177.134 0.000 1 246 57 57 LEU CA C 55.064 0.057 1 247 57 57 LEU CB C 40.469 0.000 1 248 58 58 SER H H 7.757 0.023 1 249 58 58 SER C C 172.956 0.000 1 250 58 58 SER CA C 57.372 0.049 1 251 58 58 SER CB C 61.569 0.000 1 252 58 58 SER N N 110.699 1.171 1 253 59 59 ASN H H 6.984 0.020 1 254 59 59 ASN C C 172.661 0.000 1 255 59 59 ASN CA C 48.120 0.014 1 256 59 59 ASN CB C 38.165 0.000 1 257 59 59 ASN N N 126.091 1.026 1 258 60 60 PRO C C 179.015 0.000 1 259 60 60 PRO CA C 64.039 0.000 1 260 60 60 PRO CB C 30.503 0.000 1 261 61 61 GLU H H 7.782 0.022 1 262 61 61 GLU C C 179.293 0.000 1 263 61 61 GLU CA C 57.910 0.005 1 264 61 61 GLU CB C 28.115 0.000 1 265 61 61 GLU N N 118.648 0.855 1 266 62 62 LYS H H 7.579 0.032 1 267 62 62 LYS C C 178.332 0.000 1 268 62 62 LYS CA C 57.455 0.000 1 269 62 62 LYS CB C 31.044 0.000 1 270 62 62 LYS N N 121.801 1.015 1 271 63 63 ARG H H 9.153 0.019 1 272 63 63 ARG C C 177.466 0.000 1 273 63 63 ARG CA C 58.759 0.045 1 274 63 63 ARG CB C 28.045 0.000 1 275 63 63 ARG N N 123.381 1.090 1 276 64 64 GLU H H 7.579 0.000 1 277 64 64 GLU C C 178.883 0.000 1 278 64 64 GLU CA C 58.035 0.000 1 279 64 64 GLU CB C 27.680 0.000 1 280 64 64 GLU N N 116.180 0.000 1 281 65 65 LEU H H 7.141 0.020 1 282 65 65 LEU C C 179.172 0.000 1 283 65 65 LEU CA C 56.314 0.000 1 284 65 65 LEU CB C 40.903 0.000 1 285 65 65 LEU N N 119.865 1.106 1 286 66 66 TYR H H 8.667 0.023 1 287 66 66 TYR C C 179.614 0.000 1 288 66 66 TYR CA C 59.057 0.030 1 289 66 66 TYR CB C 36.857 0.000 1 290 66 66 TYR N N 122.394 1.167 1 291 67 67 ASP H H 9.468 0.020 1 292 67 67 ASP C C 178.185 0.000 1 293 67 67 ASP CA C 55.432 0.029 1 294 67 67 ASP CB C 38.369 0.000 1 295 67 67 ASP N N 126.168 1.172 1 296 68 68 ARG H H 7.499 0.021 1 297 68 68 ARG C C 178.065 0.000 1 298 68 68 ARG CA C 56.699 0.037 1 299 68 68 ARG CB C 29.609 0.000 1 300 68 68 ARG N N 117.893 0.829 1 301 69 69 TYR H H 8.186 0.022 1 302 69 69 TYR C C 176.805 0.000 1 303 69 69 TYR CA C 55.710 0.040 1 304 69 69 TYR CB C 38.902 0.000 1 305 69 69 TYR N N 115.922 0.940 1 306 70 70 GLY H H 8.782 0.020 1 307 70 70 GLY C C 175.104 0.000 1 308 70 70 GLY CA C 43.171 0.014 1 309 70 70 GLY N N 113.954 1.093 1 310 71 71 GLU H H 9.338 0.025 1 311 71 71 GLU C C 178.924 0.000 1 312 71 71 GLU CA C 58.495 0.051 1 313 71 71 GLU CB C 28.302 0.000 1 314 71 71 GLU N N 124.135 1.163 1 315 72 72 GLN H H 8.584 0.021 1 316 72 72 GLN C C 177.618 0.000 1 317 72 72 GLN CA C 56.539 0.029 1 318 72 72 GLN CB C 26.434 0.000 1 319 72 72 GLN N N 119.740 1.054 1 320 73 73 GLY H H 7.977 0.002 1 321 73 73 GLY C C 173.661 0.000 1 322 73 73 GLY CA C 44.128 0.024 1 323 73 73 GLY N N 105.298 0.030 1 324 74 74 LEU H H 7.512 0.001 1 325 74 74 LEU C C 177.072 0.000 1 326 74 74 LEU CA C 53.122 0.060 1 327 74 74 LEU CB C 40.285 0.000 1 328 74 74 LEU N N 120.282 0.188 1 329 75 75 ARG H H 7.561 0.027 1 330 75 75 ARG C C 176.041 0.000 1 331 75 75 ARG CA C 54.583 0.000 1 332 75 75 ARG CB C 29.303 0.000 1 333 75 75 ARG N N 121.459 0.695 1 334 76 76 GLU H H 8.270 0.018 1 335 76 76 GLU C C 175.848 0.000 1 336 76 76 GLU N N 123.998 0.677 1 337 77 77 GLY H H 7.917 0.018 1 338 77 77 GLY C C 178.897 0.000 1 339 77 77 GLY CA C 44.543 0.000 1 340 77 77 GLY N N 118.058 0.635 1 stop_ save_