data_17091 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Zinc to cadmium replacement in the A. thaliana SUPERMAN Cys2His2 zinc finger induces structural rearrangements of typical DNA base determinant positions ; _BMRB_accession_number 17091 _BMRB_flat_file_name bmr17091.str _Entry_type original _Submission_date 2010-07-31 _Accession_date 2010-07-31 _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 Malgieri Gaetano . . 2 Zaccaro Laura . . 3 Leone Marilisa . . 4 Bucci Enrico . . 5 Esposito Sabrina . . 6 Baglivo Ilaria . . 7 'Del Gatto' Annarita . . 8 Scandurra Roberto . . 9 Pedone Paolo V. . 10 Fattorusso Roberto . . 11 Isernia Carla . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 228 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-13 update BMRB 'update entry citation' 2011-06-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Zinc to cadmium replacement in the A. thaliana SUPERMAN Cys-2 His-2 zinc finger induces structural rearrangements of typical DNA base determinant positions.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21618209 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Malgieri Gaetano . . 2 Zaccaro Laura . . 3 Leone Marilisa . . 4 Bucci Enrico . . 5 Esposito Sabrina . . 6 Baglivo Ilaria . . 7 'Del Gatto' Annarita . . 8 Russo Luigi . . 9 Scandurra Roberto . . 10 Pedone Paolo V. . 11 Fattorusso Roberto . . 12 Isernia Carla . . stop_ _Journal_abbreviation Biopolymers _Journal_name_full Biopolymers _Journal_volume 95 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 801 _Page_last 810 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PROTEIN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SUPERMAN $SUPERMAN 'CADMIUM ION' $CD 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_SUPERMAN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SUPERMAN _Molecular_mass 4469.228 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 37 _Mol_residue_sequence ; WPPRSYTCSFCKREFRSAQA LGGHMNVHRRDRARLRL ; loop_ _Residue_seq_code _Residue_label 1 TRP 2 PRO 3 PRO 4 ARG 5 SER 6 TYR 7 THR 8 CYS 9 SER 10 PHE 11 CYS 12 LYS 13 ARG 14 GLU 15 PHE 16 ARG 17 SER 18 ALA 19 GLN 20 ALA 21 LEU 22 GLY 23 GLY 24 HIS 25 MET 26 ASN 27 VAL 28 HIS 29 ARG 30 ARG 31 ASP 32 ARG 33 ALA 34 ARG 35 LEU 36 ARG 37 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-21 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1NJQ "Nmr Structure Of The Single Qalggh Zinc Finger Domain From Arabidopsis Thaliana Superman Protein" 100.00 39 100.00 100.00 5.96e-18 PDB 2L1O "Zinc To Cadmium Replacement In The A. Thaliana Superman Cys2his2 Zinc Finger Induces Structural Rearrangements Of Typical Dna B" 100.00 39 100.00 100.00 5.96e-18 DBJ BAA95724 "SUPERMAN-like protein [Arabidopsis thaliana]" 100.00 204 100.00 100.00 1.07e-17 DBJ BAD11142 "hypothetical protein [Petunia x hybrida]" 100.00 224 100.00 100.00 7.19e-18 DBJ BAD31832 "C2H2-type zinc finger protein-like protein [Oryza sativa Japonica Group]" 97.30 287 97.22 100.00 2.00e-16 DBJ BAH30467 "hypothetical protein [Arabidopsis thaliana]" 100.00 204 100.00 100.00 1.07e-17 DBJ BAS99682 "Os07g0101800 [Oryza sativa Japonica Group]" 97.30 282 97.22 100.00 2.03e-16 EMBL CBI23578 "unnamed protein product [Vitis vinifera]" 97.30 205 100.00 100.00 4.97e-17 EMBL CBI23579 "unnamed protein product [Vitis vinifera]" 97.30 202 100.00 100.00 5.00e-17 EMBL CDO99187 "unnamed protein product [Coffea canephora]" 97.30 196 97.22 100.00 1.68e-16 GB AAC49116 "SUPERMAN [Arabidopsis thaliana]" 100.00 204 100.00 100.00 1.07e-17 GB AAY78753 "superman protein [Arabidopsis thaliana]" 100.00 204 100.00 100.00 1.07e-17 GB ACU27362 "superman [Nicotiana tabacum]" 100.00 234 100.00 100.00 9.26e-18 GB AEE76721 "transcriptional regulator protein SUPERMAN [Arabidopsis thaliana]" 100.00 204 100.00 100.00 1.07e-17 GB AEI17369 "superman [Arabidopsis lyrata]" 100.00 204 100.00 100.00 9.22e-18 PRF 2124420A "SUPERMAN gene" 100.00 204 100.00 100.00 1.07e-17 REF NP_188954 "transcriptional regulator protein SUPERMAN [Arabidopsis thaliana]" 100.00 204 100.00 100.00 1.07e-17 REF XP_002280764 "PREDICTED: transcriptional regulator SUPERMAN-like [Vitis vinifera]" 97.30 228 100.00 100.00 6.06e-17 REF XP_002280772 "PREDICTED: transcriptional regulator SUPERMAN-like [Vitis vinifera]" 97.30 207 100.00 100.00 5.57e-17 REF XP_002453114 "hypothetical protein SORBIDRAFT_04g000270 [Sorghum bicolor]" 97.30 247 97.22 97.22 3.44e-16 REF XP_002529318 "Transcriptional regulator SUPERMAN, putative [Ricinus communis]" 97.30 230 100.00 100.00 2.92e-17 SP Q38895 "RecName: Full=Transcriptional regulator SUPERMAN" 100.00 204 100.00 100.00 1.07e-17 stop_ save_ ############# # Ligands # ############# save_CD _Saveframe_category ligand _Mol_type non-polymer _Name_common "CD (CADMIUM ION)" _BMRB_code . _PDB_code CD _Molecular_mass 112.411 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:24:26 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CD CD CD . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SUPERMAN 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $SUPERMAN 'chemical synthesis' . . . . . $CD 'chemical synthesis' . . . . . 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 $SUPERMAN 1 mM 'natural abundance' 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 $SUPERMAN 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_GROMOS _Saveframe_category software _Name GROMOS _Version . loop_ _Vendor _Address _Electronic_address 'van Gunsteren and Berendsen' . . stop_ loop_ _Task minimizatin stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 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 . M pH 6.8 . pH pressure 1 . atm temperature 301 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation 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 NOESY' '2D 1H-1H TOCSY' '2D DQF-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SUPERMAN _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 1 1 TRP H H 8.12 0.01 1 2 1 1 TRP HA H 4.48 0.01 1 3 1 1 TRP HB2 H 2.99 0.01 2 4 1 1 TRP HB3 H 3.16 0.01 2 5 1 1 TRP HD1 H 7.25 0.01 1 6 1 1 TRP HE1 H 7.49 0.01 1 7 1 1 TRP HE3 H 7.65 0.01 1 8 1 1 TRP HH2 H 10.07 0.01 1 9 1 1 TRP HZ2 H 7.23 0.01 1 10 1 1 TRP HZ3 H 7.21 0.01 1 11 2 2 PRO HA H 4.45 0.01 1 12 2 2 PRO HB2 H 1.87 0.01 2 13 2 2 PRO HB3 H 2.28 0.01 2 14 2 2 PRO HD2 H 3.60 0.01 2 15 2 2 PRO HD3 H 3.79 0.01 2 16 2 2 PRO HG2 H 1.86 0.01 2 17 2 2 PRO HG3 H 1.86 0.01 2 18 3 3 PRO HA H 4.43 0.01 1 19 3 3 PRO HB2 H 1.89 0.01 2 20 3 3 PRO HB3 H 2.32 0.01 2 21 3 3 PRO HD2 H 3.60 0.01 2 22 3 3 PRO HD3 H 3.88 0.01 2 23 3 3 PRO HG2 H 1.99 0.01 2 24 3 3 PRO HG3 H 1.99 0.01 2 25 4 4 ARG H H 8.33 0.01 1 26 4 4 ARG HA H 4.27 0.01 1 27 4 4 ARG HB2 H 1.76 0.01 2 28 4 4 ARG HB3 H 1.76 0.01 2 29 4 4 ARG HD2 H 3.13 0.01 2 30 4 4 ARG HD3 H 3.13 0.01 2 31 4 4 ARG HG2 H 1.54 0.01 2 32 4 4 ARG HG3 H 1.54 0.01 2 33 5 5 SER H H 7.95 0.01 1 34 5 5 SER HA H 4.56 0.01 1 35 5 5 SER HB2 H 3.60 0.01 2 36 5 5 SER HB3 H 3.60 0.01 2 37 6 6 TYR H H 8.75 0.01 1 38 6 6 TYR HA H 4.61 0.01 1 39 6 6 TYR HB2 H 2.71 0.01 2 40 6 6 TYR HB3 H 2.85 0.01 2 41 6 6 TYR HD1 H 6.93 0.01 3 42 6 6 TYR HD2 H 6.93 0.01 3 43 6 6 TYR HE1 H 6.73 0.01 3 44 6 6 TYR HE2 H 6.73 0.01 3 45 7 7 THR H H 8.52 0.01 1 46 7 7 THR HA H 4.93 0.01 1 47 7 7 THR HB H 3.77 0.01 1 48 7 7 THR HG2 H 0.97 0.01 1 49 8 8 CYS H H 9.14 0.01 1 50 8 8 CYS HA H 4.56 0.01 1 51 8 8 CYS HB2 H 2.93 0.01 2 52 8 8 CYS HB3 H 3.41 0.01 2 53 9 9 SER H H 8.99 0.01 1 54 9 9 SER HA H 4.14 0.01 1 55 9 9 SER HB2 H 3.68 0.01 2 56 9 9 SER HB3 H 3.76 0.01 2 57 10 10 PHE H H 8.98 0.01 1 58 10 10 PHE HA H 4.38 0.01 1 59 10 10 PHE HB2 H 2.03 0.01 2 60 10 10 PHE HB3 H 2.46 0.01 2 61 10 10 PHE HD1 H 6.81 0.01 3 62 10 10 PHE HD2 H 6.81 0.01 3 63 10 10 PHE HE1 H 7.29 0.01 3 64 10 10 PHE HE2 H 7.29 0.01 3 65 10 10 PHE HZ H 7.33 0.01 1 66 11 11 CYS H H 8.41 0.01 1 67 11 11 CYS HA H 5.12 0.01 1 68 11 11 CYS HB2 H 2.99 0.01 2 69 11 11 CYS HB3 H 3.48 0.01 2 70 12 12 LYS H H 8.05 0.01 1 71 12 12 LYS HA H 4.09 0.01 1 72 12 12 LYS HB2 H 1.99 0.01 2 73 12 12 LYS HB3 H 2.16 0.01 2 74 12 12 LYS HD2 H 1.58 0.01 2 75 12 12 LYS HD3 H 1.69 0.01 2 76 12 12 LYS HE2 H 2.94 0.01 2 77 12 12 LYS HE3 H 2.94 0.01 2 78 12 12 LYS HG2 H 1.25 0.01 2 79 12 12 LYS HG3 H 1.37 0.01 2 80 13 13 ARG H H 7.89 0.01 1 81 13 13 ARG HA H 4.10 0.01 1 82 13 13 ARG HB2 H 1.36 0.01 2 83 13 13 ARG HB3 H 1.85 0.01 2 84 13 13 ARG HD2 H 3.18 0.01 2 85 13 13 ARG HD3 H 3.18 0.01 2 86 13 13 ARG HG2 H 1.51 0.01 2 87 13 13 ARG HG3 H 1.61 0.01 2 88 14 14 GLU H H 8.04 0.01 1 89 14 14 GLU HA H 4.84 0.01 1 90 14 14 GLU HB2 H 1.73 0.01 2 91 14 14 GLU HB3 H 1.79 0.01 2 92 14 14 GLU HG2 H 2.19 0.01 2 93 14 14 GLU HG3 H 2.19 0.01 2 94 15 15 PHE H H 8.94 0.01 1 95 15 15 PHE HA H 4.66 0.01 1 96 15 15 PHE HB2 H 2.85 0.01 2 97 15 15 PHE HB3 H 3.24 0.01 2 98 15 15 PHE HD1 H 7.22 0.01 3 99 15 15 PHE HD2 H 7.22 0.01 3 100 15 15 PHE HE1 H 6.77 0.01 3 101 15 15 PHE HE2 H 6.77 0.01 3 102 15 15 PHE HZ H 5.98 0.01 1 103 16 16 ARG H H 7.43 0.01 1 104 16 16 ARG HA H 4.55 0.01 1 105 16 16 ARG HB2 H 1.84 0.01 2 106 16 16 ARG HB3 H 1.84 0.01 2 107 16 16 ARG HD2 H 3.14 0.01 2 108 16 16 ARG HD3 H 3.14 0.01 2 109 16 16 ARG HG2 H 1.64 0.01 2 110 16 16 ARG HG3 H 1.64 0.01 2 111 17 17 SER H H 7.37 0.01 1 112 17 17 SER HA H 4.21 0.01 1 113 17 17 SER HB2 H 3.83 0.01 2 114 17 17 SER HB3 H 4.09 0.01 2 115 18 18 ALA H H 8.34 0.01 1 116 18 18 ALA HA H 3.38 0.01 1 117 18 18 ALA HB H 1.17 0.01 1 118 19 19 GLN H H 7.92 0.01 1 119 19 19 GLN HA H 3.97 0.01 1 120 19 19 GLN HB2 H 1.90 0.01 2 121 19 19 GLN HB3 H 2.04 0.01 2 122 19 19 GLN HG2 H 2.38 0.01 2 123 19 19 GLN HG3 H 2.38 0.01 2 124 20 20 ALA H H 7.92 0.01 1 125 20 20 ALA HA H 4.09 0.01 1 126 20 20 ALA HB H 1.57 0.01 1 127 21 21 LEU H H 7.40 0.01 1 128 21 21 LEU HA H 3.12 0.01 1 129 21 21 LEU HB2 H 1.31 0.01 2 130 21 21 LEU HB3 H 1.80 0.01 2 131 21 21 LEU HD1 H 0.98 0.01 2 132 21 21 LEU HD2 H 1.00 0.01 2 133 21 21 LEU HG H 1.56 0.01 1 134 22 22 GLY H H 8.34 0.01 1 135 22 22 GLY HA2 H 3.67 0.01 2 136 22 22 GLY HA3 H 3.83 0.01 2 137 23 23 GLY H H 8.05 0.01 1 138 23 23 GLY HA2 H 3.83 0.01 2 139 23 23 GLY HA3 H 4.13 0.01 2 140 24 24 HIS H H 7.39 0.01 1 141 24 24 HIS HA H 4.29 0.01 1 142 24 24 HIS HB2 H 2.68 0.01 2 143 24 24 HIS HB3 H 2.82 0.01 2 144 24 24 HIS HD2 H 7.03 0.01 1 145 24 24 HIS HE1 H 8.00 0.01 1 146 25 25 MET H H 7.49 0.01 1 147 25 25 MET HA H 4.08 0.01 1 148 25 25 MET HB2 H 1.59 0.01 2 149 25 25 MET HB3 H 1.85 0.01 2 150 25 25 MET HE H 2.31 0.01 1 151 25 25 MET HG2 H 2.18 0.01 2 152 25 25 MET HG3 H 2.18 0.01 2 153 26 26 ASN H H 7.39 0.01 1 154 26 26 ASN HA H 4.34 0.01 1 155 26 26 ASN HB2 H 2.72 0.01 2 156 26 26 ASN HB3 H 2.77 0.01 2 157 27 27 VAL H H 7.90 0.01 1 158 27 27 VAL HA H 3.79 0.01 1 159 27 27 VAL HB H 1.85 0.01 1 160 27 27 VAL HG1 H 0.48 0.01 2 161 27 27 VAL HG2 H 0.59 0.01 2 162 28 28 HIS H H 6.99 0.01 1 163 28 28 HIS HA H 4.59 0.01 1 164 28 28 HIS HB2 H 2.45 0.01 2 165 28 28 HIS HB3 H 2.61 0.01 2 166 28 28 HIS HD2 H 6.80 0.01 1 167 28 28 HIS HE1 H 7.98 0.01 1 168 29 29 ARG H H 7.40 0.01 1 169 29 29 ARG HA H 4.75 0.01 1 170 29 29 ARG HB2 H 1.64 0.01 2 171 29 29 ARG HB3 H 1.64 0.01 2 172 29 29 ARG HD2 H 3.17 0.01 2 173 29 29 ARG HD3 H 3.17 0.01 2 174 29 29 ARG HG2 H 1.55 0.01 2 175 29 29 ARG HG3 H 1.55 0.01 2 176 30 30 ARG H H 8.33 0.01 1 177 30 30 ARG HA H 4.15 0.01 1 178 30 30 ARG HB2 H 1.65 0.01 2 179 30 30 ARG HB3 H 1.65 0.01 2 180 30 30 ARG HD2 H 3.17 0.01 2 181 30 30 ARG HD3 H 3.17 0.01 2 182 30 30 ARG HG2 H 1.55 0.01 2 183 30 30 ARG HG3 H 1.55 0.01 2 184 31 31 ASP H H 7.87 0.01 1 185 31 31 ASP HA H 4.64 0.01 1 186 31 31 ASP HB2 H 3.59 0.01 2 187 31 31 ASP HB3 H 3.59 0.01 2 188 32 32 ARG H H 8.14 0.01 1 189 32 32 ARG HA H 4.29 0.01 1 190 32 32 ARG HB2 H 1.81 0.01 2 191 32 32 ARG HB3 H 1.81 0.01 2 192 32 32 ARG HD2 H 3.14 0.01 2 193 32 32 ARG HD3 H 3.14 0.01 2 194 32 32 ARG HG2 H 1.60 0.01 2 195 32 32 ARG HG3 H 1.60 0.01 2 196 33 33 ALA H H 8.08 0.01 1 197 33 33 ALA HA H 4.27 0.01 1 198 33 33 ALA HB H 1.40 0.01 1 199 34 34 ARG H H 7.93 0.01 1 200 34 34 ARG HA H 4.18 0.01 1 201 34 34 ARG HB2 H 1.78 0.01 2 202 34 34 ARG HB3 H 1.83 0.01 2 203 34 34 ARG HD2 H 3.21 0.01 2 204 34 34 ARG HD3 H 3.21 0.01 2 205 34 34 ARG HG2 H 1.57 0.01 2 206 34 34 ARG HG3 H 1.57 0.01 2 207 35 35 LEU H H 7.96 0.01 1 208 35 35 LEU HA H 4.28 0.01 1 209 35 35 LEU HB2 H 1.66 0.01 2 210 35 35 LEU HB3 H 1.66 0.01 2 211 35 35 LEU HD1 H 0.84 0.01 2 212 35 35 LEU HD2 H 0.86 0.01 2 213 35 35 LEU HG H 1.68 0.01 1 214 36 36 ARG H H 8.05 0.01 1 215 36 36 ARG HA H 4.19 0.01 1 216 36 36 ARG HB2 H 1.64 0.01 2 217 36 36 ARG HB3 H 1.64 0.01 2 218 36 36 ARG HD2 H 3.14 0.01 2 219 36 36 ARG HD3 H 3.14 0.01 2 220 36 36 ARG HG2 H 1.57 0.01 2 221 36 36 ARG HG3 H 1.57 0.01 2 222 37 37 LEU H H 7.89 0.01 1 223 37 37 LEU HA H 4.23 0.01 1 224 37 37 LEU HB2 H 1.64 0.01 2 225 37 37 LEU HB3 H 1.64 0.01 2 226 37 37 LEU HD1 H 0.81 0.01 2 227 37 37 LEU HD2 H 0.88 0.01 2 228 37 37 LEU HG H 1.57 0.01 1 stop_ save_