data_25934 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Nizp1-C2HR zinc finger structure ; _BMRB_accession_number 25934 _BMRB_flat_file_name bmr25934.str _Entry_type original _Submission_date 2015-12-22 _Accession_date 2015-12-22 _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 Berardi Andrea . . 2 Quilici Giacomo . . 3 Spiliotopoulos Dimitrios . . 4 Corral-Rodriguez 'Maria Angeles' . . 5 Martin Fernando . . 6 Degano Massimo . . 7 Tonon Giovanni . . 8 Musco Giovanna . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 241 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-21 update BMRB 'update entry citation' 2016-02-23 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25933 'NSD1-PHD_5-C5HCH tandem domain' stop_ _Original_release_date 2016-02-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for PHDVC5HCHNSD1-C2HRNizp1 interaction: implications for Sotos syndrome ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26896805 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Berardi Andrea . . 2 Quilici Giacomo . . 3 Spiliotopoulos Dimitrios . . 4 Corral-Rodriguez 'Maria Angeles' . . 5 Martin Fernando . . 6 Degano Massimo . . 7 Tonon Giovanni . . 8 Musco Giovanna . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic Acids Research' _Journal_volume 44 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3448 _Page_last 3463 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Nizp1-C2HR zinc finger' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'ZINC ION' $entity_ZN 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 4984.875 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 41 _Mol_residue_sequence ; GAMEVQTSQKSYVCPNCGKI FRWRVNFIRHLRSRREQKPH K ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 ALA 3 3 MET 4 4 GLU 5 5 VAL 6 6 GLN 7 7 THR 8 8 SER 9 9 GLN 10 10 LYS 11 11 SER 12 12 TYR 13 13 VAL 14 14 CYS 15 15 PRO 16 16 ASN 17 17 CYS 18 18 GLY 19 19 LYS 20 20 ILE 21 21 PHE 22 22 ARG 23 23 TRP 24 24 ARG 25 25 VAL 26 26 ASN 27 27 PHE 28 28 ILE 29 29 ARG 30 30 HIS 31 31 LEU 32 32 ARG 33 33 SER 34 34 ARG 35 35 ARG 36 36 GLU 37 37 GLN 38 38 LYS 39 39 PRO 40 40 HIS 41 41 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 $entity_1 'recombinant technology' . Escherichia coli . pETM41 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 'sodium phosphate' 0.8 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 0.8 mM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 0.8 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 0.8 mM 'natural abundance' H2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_2 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_4 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_8 _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' 0.150 . M pH 6.3 . pH pressure 1 . atm temperature 295 . 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-1H TOCSY' '2D 1H-1H NOESY' '3D HNCA' '3D CBCA(CO)NH' '3D HNCO' stop_ loop_ _Sample_label $sample_3 $sample_4 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 5 5 VAL H H 8.326 0.004 1 2 5 5 VAL HA H 4.134 0.001 1 3 5 5 VAL HB H 2.065 0.000 1 4 5 5 VAL HG1 H 0.953 0.003 1 5 5 5 VAL HG2 H 0.953 0.003 1 6 5 5 VAL N N 122.612 0.000 1 7 6 6 GLN H H 8.635 0.001 1 8 6 6 GLN HA H 4.454 0.000 1 9 6 6 GLN HB2 H 2.147 0.000 2 10 6 6 GLN HB3 H 2.016 0.000 2 11 6 6 GLN HG2 H 2.404 0.000 1 12 6 6 GLN HG3 H 2.404 0.000 1 13 6 6 GLN N N 125.548 0.000 1 14 7 7 THR H H 8.307 0.000 1 15 7 7 THR HA H 4.394 0.000 1 16 7 7 THR HB H 4.275 0.000 1 17 7 7 THR HG2 H 1.223 0.000 1 18 7 7 THR N N 116.430 0.000 1 19 8 8 SER H H 8.345 0.011 1 20 8 8 SER HA H 4.467 0.000 1 21 8 8 SER HB2 H 3.843 0.000 2 22 8 8 SER HB3 H 3.848 0.000 2 23 8 8 SER N N 118.551 0.000 1 24 9 9 GLN H H 8.338 0.003 1 25 9 9 GLN HA H 4.280 0.000 1 26 9 9 GLN HB2 H 1.998 0.000 2 27 9 9 GLN HB3 H 1.901 0.000 2 28 9 9 GLN HG2 H 2.255 0.000 2 29 9 9 GLN HG3 H 2.280 0.000 2 30 9 9 GLN N N 123.019 0.000 1 31 10 10 LYS H H 8.258 0.004 1 32 10 10 LYS HA H 4.199 0.000 1 33 10 10 LYS HB2 H 1.616 0.005 1 34 10 10 LYS HB3 H 1.616 0.005 1 35 10 10 LYS HG2 H 1.271 0.003 1 36 10 10 LYS HG3 H 1.271 0.003 1 37 10 10 LYS HD2 H 2.893 0.000 2 38 10 10 LYS HD3 H 1.657 0.000 2 39 10 10 LYS N N 123.679 0.000 1 40 11 11 SER H H 7.659 0.002 1 41 11 11 SER HA H 4.534 0.006 1 42 11 11 SER HB2 H 3.563 0.003 2 43 11 11 SER HB3 H 3.500 0.005 2 44 11 11 SER N N 115.557 0.000 1 45 12 12 TYR H H 8.585 0.004 1 46 12 12 TYR HA H 4.220 0.004 1 47 12 12 TYR HB2 H 1.463 0.004 2 48 12 12 TYR HB3 H 2.264 0.006 2 49 12 12 TYR HD1 H 6.668 0.017 3 50 12 12 TYR HD2 H 6.668 0.017 3 51 12 12 TYR HE1 H 6.732 0.018 3 52 12 12 TYR HE2 H 6.732 0.018 3 53 12 12 TYR N N 122.532 0.000 1 54 13 13 VAL H H 8.253 0.004 1 55 13 13 VAL HA H 4.801 0.001 1 56 13 13 VAL HB H 1.819 0.000 1 57 13 13 VAL HG1 H 0.756 0.010 2 58 13 13 VAL HG2 H 0.784 0.015 2 59 13 13 VAL N N 123.674 0.000 1 60 14 14 CYS H H 9.362 0.005 1 61 14 14 CYS HA H 5.078 0.007 1 62 14 14 CYS HB2 H 3.566 0.007 2 63 14 14 CYS HB3 H 3.093 0.007 2 64 14 14 CYS N N 131.181 0.000 1 65 15 15 PRO HA H 2.458 0.003 1 66 15 15 PRO HB2 H 4.590 0.001 2 67 15 15 PRO HB3 H 2.113 0.002 2 68 15 15 PRO HG2 H 2.264 0.004 2 69 15 15 PRO HG3 H 2.113 0.002 2 70 15 15 PRO HD2 H 4.422 0.007 2 71 15 15 PRO HD3 H 4.425 0.005 2 72 16 16 ASN H H 9.104 0.002 1 73 16 16 ASN HA H 4.889 0.001 1 74 16 16 ASN HB2 H 2.965 0.002 2 75 16 16 ASN HB3 H 2.869 0.006 2 76 16 16 ASN HD21 H 7.221 0.000 1 77 16 16 ASN HD22 H 7.220 0.001 1 78 16 16 ASN N N 119.946 0.000 1 79 17 17 CYS H H 8.202 0.003 1 80 17 17 CYS HA H 5.136 0.004 1 81 17 17 CYS HB2 H 3.090 0.007 2 82 17 17 CYS HB3 H 3.334 0.005 2 83 17 17 CYS N N 117.298 0.000 1 84 18 18 GLY H H 8.092 0.002 1 85 18 18 GLY HA2 H 3.777 0.002 2 86 18 18 GLY HA3 H 4.160 0.004 2 87 18 18 GLY N N 113.723 0.000 1 88 19 19 LYS H H 8.396 0.008 1 89 19 19 LYS HA H 3.963 0.005 1 90 19 19 LYS HB2 H 1.235 0.007 2 91 19 19 LYS HB3 H 1.681 0.015 2 92 19 19 LYS HG2 H 0.744 0.017 2 93 19 19 LYS HG3 H 0.743 0.018 2 94 19 19 LYS HD2 H 1.504 0.005 2 95 19 19 LYS HD3 H 1.321 0.007 2 96 19 19 LYS HE2 H 2.792 0.002 2 97 19 19 LYS HE3 H 2.885 0.003 2 98 19 19 LYS N N 124.529 0.000 1 99 20 20 ILE H H 7.793 0.002 1 100 20 20 ILE HA H 4.619 0.003 1 101 20 20 ILE HB H 1.500 0.005 1 102 20 20 ILE HG12 H 0.805 0.002 2 103 20 20 ILE HG13 H 0.806 0.003 2 104 20 20 ILE HG2 H 0.927 0.001 1 105 20 20 ILE HD1 H 0.730 0.005 1 106 20 20 ILE N N 122.902 0.000 1 107 21 21 PHE H H 9.361 0.006 1 108 21 21 PHE HA H 4.760 0.011 1 109 21 21 PHE HB2 H 2.820 0.005 2 110 21 21 PHE HB3 H 3.438 0.008 2 111 21 21 PHE HD1 H 7.477 0.005 3 112 21 21 PHE HD2 H 7.477 0.005 3 113 21 21 PHE HE1 H 6.972 0.005 3 114 21 21 PHE HE2 H 6.972 0.005 3 115 21 21 PHE HZ H 6.212 0.006 1 116 21 21 PHE N N 126.244 0.000 1 117 22 22 ARG H H 9.016 0.004 1 118 22 22 ARG HA H 4.407 0.005 1 119 22 22 ARG HB2 H 1.440 0.003 2 120 22 22 ARG HB3 H 1.569 0.009 2 121 22 22 ARG HG2 H 1.102 0.013 2 122 22 22 ARG HG3 H 1.103 0.014 2 123 22 22 ARG HD2 H 2.847 0.011 2 124 22 22 ARG HD3 H 2.969 0.000 2 125 22 22 ARG HE H 6.930 0.000 1 126 22 22 ARG N N 125.051 0.000 1 127 23 23 TRP H H 7.986 0.008 1 128 23 23 TRP HA H 5.328 0.003 1 129 23 23 TRP HB2 H 3.554 0.005 2 130 23 23 TRP HB3 H 3.290 0.007 2 131 23 23 TRP HD1 H 7.566 0.004 1 132 23 23 TRP HE1 H 10.266 0.002 1 133 23 23 TRP HE3 H 7.946 0.005 1 134 23 23 TRP HZ2 H 7.526 0.004 1 135 23 23 TRP HZ3 H 7.246 0.002 1 136 23 23 TRP HH2 H 7.285 0.005 1 137 23 23 TRP N N 118.871 0.000 1 138 23 23 TRP NE1 N 129.951 0.000 1 139 24 24 ARG H H 9.358 0.003 1 140 24 24 ARG HA H 3.041 0.002 1 141 24 24 ARG HB2 H 1.770 0.007 2 142 24 24 ARG HB3 H 1.770 0.007 2 143 24 24 ARG HG2 H 1.125 0.005 1 144 24 24 ARG HG3 H 1.125 0.005 1 145 24 24 ARG HD2 H 3.181 0.001 2 146 24 24 ARG HD3 H 3.181 0.001 2 147 24 24 ARG N N 130.190 0.000 1 148 25 25 VAL H H 8.598 0.004 1 149 25 25 VAL HA H 3.802 0.001 1 150 25 25 VAL HB H 1.940 0.001 1 151 25 25 VAL HG1 H 0.967 0.003 2 152 25 25 VAL HG2 H 0.943 0.017 2 153 25 25 VAL N N 115.735 0.000 1 154 26 26 ASN H H 6.907 0.003 1 155 26 26 ASN HA H 4.613 0.005 1 156 26 26 ASN HB2 H 3.516 0.005 2 157 26 26 ASN HB3 H 3.174 0.002 2 158 26 26 ASN HD21 H 7.485 0.001 1 159 26 26 ASN HD22 H 8.639 0.008 1 160 26 26 ASN N N 119.272 0.000 1 161 26 26 ASN ND2 N 116.045 0.000 1 162 27 27 PHE H H 7.487 0.002 1 163 27 27 PHE HA H 3.013 0.016 1 164 27 27 PHE HB2 H 2.877 0.009 2 165 27 27 PHE HB3 H 2.612 0.006 2 166 27 27 PHE HD1 H 6.813 0.012 3 167 27 27 PHE HD2 H 6.813 0.012 3 168 27 27 PHE HE1 H 7.482 0.004 3 169 27 27 PHE HE2 H 7.482 0.004 3 170 27 27 PHE HZ H 7.317 0.005 1 171 27 27 PHE N N 124.971 0.000 1 172 28 28 ILE H H 8.458 0.001 1 173 28 28 ILE HA H 3.277 0.004 1 174 28 28 ILE HB H 1.839 0.012 1 175 28 28 ILE HG12 H 1.356 0.002 2 176 28 28 ILE HG13 H 1.468 0.000 2 177 28 28 ILE HG2 H 0.815 0.004 1 178 28 28 ILE HD1 H 0.697 0.003 1 179 28 28 ILE N N 119.280 0.000 1 180 29 29 ARG H H 7.577 0.004 1 181 29 29 ARG HA H 3.900 0.001 1 182 29 29 ARG HB2 H 1.904 0.007 2 183 29 29 ARG HB3 H 1.825 0.007 2 184 29 29 ARG HG2 H 1.664 0.004 2 185 29 29 ARG HG3 H 1.575 0.000 2 186 29 29 ARG HD2 H 3.237 0.000 1 187 29 29 ARG HD3 H 3.237 0.000 1 188 29 29 ARG HE H 7.218 0.000 1 189 29 29 ARG N N 119.668 0.000 1 190 30 30 HIS H H 7.620 0.003 1 191 30 30 HIS HA H 4.258 0.018 1 192 30 30 HIS HB2 H 3.209 0.009 2 193 30 30 HIS HB3 H 3.024 0.006 2 194 30 30 HIS HD2 H 6.969 0.006 1 195 30 30 HIS HE1 H 8.157 0.004 1 196 30 30 HIS N N 120.050 0.000 1 197 31 31 LEU H H 8.005 0.004 1 198 31 31 LEU HA H 3.773 0.004 1 199 31 31 LEU HB2 H 1.305 0.011 2 200 31 31 LEU HB3 H 1.585 0.003 2 201 31 31 LEU HG H 1.253 0.008 1 202 31 31 LEU HD1 H 0.407 0.005 2 203 31 31 LEU HD2 H 0.792 0.007 2 204 31 31 LEU N N 120.143 0.000 1 205 32 32 ARG H H 7.975 0.003 1 206 32 32 ARG HA H 4.066 0.001 1 207 32 32 ARG HB2 H 1.809 0.004 2 208 32 32 ARG HB3 H 1.894 0.003 2 209 32 32 ARG HG2 H 1.626 0.000 2 210 32 32 ARG HG3 H 1.725 0.000 2 211 32 32 ARG HD2 H 3.109 0.000 2 212 32 32 ARG HD3 H 3.120 0.014 2 213 32 32 ARG HE H 7.204 0.000 1 214 32 32 ARG N N 118.157 0.000 1 215 33 33 SER H H 7.754 0.001 1 216 33 33 SER HA H 4.327 0.004 1 217 33 33 SER HB2 H 3.941 0.000 2 218 33 33 SER HB3 H 3.954 0.000 2 219 33 33 SER N N 115.082 0.000 1 220 34 34 ARG H H 7.558 0.004 1 221 34 34 ARG HA H 4.190 0.002 1 222 34 34 ARG HB2 H 1.808 0.003 2 223 34 34 ARG HB3 H 1.810 0.003 2 224 34 34 ARG HG2 H 1.589 0.004 2 225 34 34 ARG HG3 H 1.723 0.005 2 226 34 34 ARG HD2 H 2.912 0.000 2 227 34 34 ARG HD3 H 3.132 0.006 2 228 34 34 ARG HE H 7.155 0.000 1 229 34 34 ARG N N 121.862 0.000 1 230 35 35 ARG H H 8.030 0.002 1 231 35 35 ARG HA H 4.284 0.001 1 232 35 35 ARG HB2 H 1.803 0.000 1 233 35 35 ARG HB3 H 1.803 0.000 1 234 35 35 ARG HG2 H 1.663 0.000 2 235 35 35 ARG HG3 H 1.638 0.000 2 236 35 35 ARG HD2 H 2.999 0.000 2 237 35 35 ARG HD3 H 3.215 0.000 2 238 35 35 ARG HE H 7.227 0.000 1 239 35 35 ARG N N 121.550 0.000 1 240 36 36 GLU H H 8.274 0.001 1 241 36 36 GLU HA H 4.318 0.000 1 242 36 36 GLU HB2 H 1.980 0.000 2 243 36 36 GLU HB3 H 2.089 0.000 2 244 36 36 GLU HG2 H 2.389 0.000 2 245 36 36 GLU HG3 H 2.383 0.004 2 246 36 36 GLU N N 122.012 0.000 1 247 37 37 GLN H H 8.238 0.004 1 248 37 37 GLN HA H 4.269 0.000 1 249 37 37 GLN HB2 H 1.935 0.000 2 250 37 37 GLN HB3 H 2.040 0.009 2 251 37 37 GLN HG2 H 2.215 0.000 2 252 37 37 GLN HG3 H 2.264 0.000 2 253 37 37 GLN N N 121.601 0.000 1 254 38 38 LYS H H 8.348 0.000 1 255 38 38 LYS HA H 4.595 0.000 1 256 38 38 LYS HB2 H 1.717 0.000 2 257 38 38 LYS HB3 H 1.818 0.000 2 258 38 38 LYS HG2 H 1.452 0.000 1 259 38 38 LYS HG3 H 1.452 0.000 1 260 38 38 LYS HD2 H 1.717 0.000 2 261 38 38 LYS HD3 H 1.717 0.000 2 262 38 38 LYS N N 124.607 0.000 1 263 39 39 PRO HA H 4.416 0.000 1 264 39 39 PRO HB2 H 2.282 0.000 2 265 39 39 PRO HB3 H 1.838 0.000 2 266 39 39 PRO HG2 H 2.012 0.000 2 267 39 39 PRO HG3 H 2.012 0.000 2 268 39 39 PRO HD2 H 3.648 0.000 2 269 39 39 PRO HD3 H 3.812 0.000 2 270 40 40 HIS H H 8.565 0.000 1 271 40 40 HIS HA H 4.639 0.000 1 272 40 40 HIS HB2 H 3.184 0.000 1 273 40 40 HIS HB3 H 3.184 0.000 1 274 40 40 HIS HD2 H 7.187 0.000 1 275 40 40 HIS HE1 H 8.230 0.000 1 276 40 40 HIS N N 120.882 0.000 1 277 41 41 LYS H H 8.343 0.000 1 278 41 41 LYS N N 127.629 0.000 1 stop_ save_