data_18852 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HIV-1 Rev ARM peptide (residues T34-R50) ; _BMRB_accession_number 18852 _BMRB_flat_file_name bmr18852.str _Entry_type original _Submission_date 2012-11-21 _Accession_date 2012-11-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; The data presented are for the Rev arginine-rich motif (ARM), which comprises native residues 34-50 of the HIV-1 Rev protein and constitutes the protein RNA-binding domain and nuclear import signal. This NMR structure was solved in a 50% TFE/aqueous buffer mixture. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Casu Fabio . . 2 Duggan Brendan M. . 3 Hennig Mirko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 156 "13C chemical shifts" 100 "15N chemical shifts" 28 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-09-04 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18851 'HIV-1 Rev ARM single polypeptide chain' stop_ _Original_release_date 2013-09-04 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Arginine-Rich RNA-Binding Motif of HIV-1 Rev Is Intrinsically Disordered and Folds upon RRE Binding' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23972852 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Casu Fabio . . 2 Duggan Brendan M. . 3 Hennig Mirko . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume 105 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1004 _Page_last 1017 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HIV-1 Rev ARM peptide (residues T34-R50)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 Rev ARM peptide (residues T34-R50)' $Rev_ARM_peptide 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_Rev_ARM_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rev_ARM_peptide _Molecular_mass 3219.751 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 26 _Mol_residue_sequence ; GAMATRQARRNRRRRWRERQ RAAAAR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 THR 6 ARG 7 GLN 8 ALA 9 ARG 10 ARG 11 ASN 12 ARG 13 ARG 14 ARG 15 ARG 16 TRP 17 ARG 18 GLU 19 ARG 20 GLN 21 ARG 22 ALA 23 ALA 24 ALA 25 ALA 26 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-22 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 BMRB 18851 HIV-1_Rev_ARM 100.00 26 100.00 100.00 8.92e-05 PDB 2M1A "Hiv-1 Rev Arm Peptide (residues T34-r50)" 100.00 26 100.00 100.00 8.92e-05 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rev_ARM_peptide . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $Rev_ARM_peptide 'recombinant technology' . Escherichia coli BL21 DE3 'p(H)GB1-derived vector' 'Expression controlled with the T7 lac promoter' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Rev_ARM_15N _Saveframe_category sample _Sample_type solution _Details 'Uniformly 15N labelled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rev_ARM_peptide 1.0 mM [U-15N] 'sodium phosphate' 50 mM 'natural abundance' 'potassium chloride' 150 mM 'natural abundance' EDTA 1 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 10.0 % '[U-99% 2H]' H2O 40.0 % 'natural abundance' TFE 50.0 % 'natural abundance' stop_ save_ save_Rev_ARM_15N-13C _Saveframe_category sample _Sample_type solution _Details 'Uniformly 15N,13C labelled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Rev_ARM_peptide 1.0 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'potassium chloride' 150 mM 'natural abundance' EDTA 1 mM 'natural abundance' DTT 1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 10.0 % '[U-99% 2H]' H2O 40.0 % 'natural abundance' TFE 50.0 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . 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 800 _Details 'Equipped with a 5mm 1H[13C/15N] triple resonance probe featuring cryogenically cooled preamplifiers and r.f. coils on 1H and 13C channels and z-axis gradient' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'Equipped with a 5mm 1H[13C/15N] triple resonance probe featuring cryogenically cooled preamplifiers and r.f. coils on 1H and 13C channels and z-axis gradient' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Equipped with a conventional 5mm 1H[13C/15N] triple resonance probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Rev_ARM_15N save_ save_2D_1H-15N_HSQC_NH2_only_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $Rev_ARM_15N save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $Rev_ARM_15N-13C save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $Rev_ARM_15N-13C save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $Rev_ARM_15N-13C save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Rev_ARM_15N save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HNHA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $Rev_ARM_15N save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Experiments_at_283K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details 'External DSS referencing for proton, 15N and 13C by frequency ratio' 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 H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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' '2D 1H-15N HSQC NH2 only' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HNHA' stop_ loop_ _Sample_label $Rev_ARM_15N $Rev_ARM_15N-13C stop_ _Sample_conditions_label $Experiments_at_283K _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'HIV-1 Rev ARM peptide (residues T34-R50)' _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 HA H 4.239 0.000 1 2 2 2 ALA HB H 1.507 0.002 1 3 2 2 ALA C C 179.180 0.000 1 4 2 2 ALA CA C 54.532 0.000 1 5 2 2 ALA CB C 18.397 0.000 1 6 3 3 MET H H 8.613 0.004 1 7 3 3 MET HA H 4.354 0.008 1 8 3 3 MET HB2 H 2.146 0.015 2 9 3 3 MET HB3 H 2.156 0.015 2 10 3 3 MET HG2 H 2.620 0.005 2 11 3 3 MET HG3 H 2.691 0.003 2 12 3 3 MET HE H 2.128 0.009 1 13 3 3 MET C C 177.926 0.000 1 14 3 3 MET CA C 57.876 0.046 1 15 3 3 MET CB C 31.673 0.064 1 16 3 3 MET CG C 32.225 0.031 1 17 3 3 MET CE C 16.529 0.000 1 18 3 3 MET N N 117.814 0.040 1 19 4 4 ALA H H 8.324 0.009 1 20 4 4 ALA HA H 4.228 0.014 1 21 4 4 ALA HB H 1.537 0.006 1 22 4 4 ALA C C 179.940 0.000 1 23 4 4 ALA CA C 54.689 0.045 1 24 4 4 ALA CB C 18.025 0.066 1 25 4 4 ALA N N 122.603 0.025 1 26 5 5 THR H H 7.966 0.010 1 27 5 5 THR HA H 4.121 0.010 1 28 5 5 THR HB H 4.379 0.009 1 29 5 5 THR HG2 H 1.294 0.011 1 30 5 5 THR C C 176.085 0.000 1 31 5 5 THR CA C 65.053 0.071 1 32 5 5 THR CB C 68.989 0.034 1 33 5 5 THR CG2 C 21.462 0.018 1 34 5 5 THR N N 112.671 0.060 1 35 6 6 ARG H H 8.244 0.012 1 36 6 6 ARG HA H 4.057 0.015 1 37 6 6 ARG HB2 H 2.016 0.014 1 38 6 6 ARG HB3 H 2.016 0.014 1 39 6 6 ARG HG2 H 1.667 0.017 1 40 6 6 ARG HG3 H 1.667 0.017 1 41 6 6 ARG HD2 H 3.219 0.014 1 42 6 6 ARG HD3 H 3.219 0.014 1 43 6 6 ARG C C 178.983 0.000 1 44 6 6 ARG CA C 59.963 0.028 1 45 6 6 ARG CB C 29.853 0.000 1 46 6 6 ARG CG C 27.621 0.024 1 47 6 6 ARG N N 122.300 0.034 1 48 7 7 GLN H H 8.424 0.006 1 49 7 7 GLN HA H 4.058 0.012 1 50 7 7 GLN HB2 H 2.163 0.011 2 51 7 7 GLN HB3 H 2.186 0.020 2 52 7 7 GLN HG2 H 2.463 0.009 2 53 7 7 GLN HG3 H 2.464 0.009 2 54 7 7 GLN HE21 H 6.838 0.008 1 55 7 7 GLN HE22 H 7.391 0.009 1 56 7 7 GLN C C 177.997 0.000 1 57 7 7 GLN CA C 58.735 0.075 1 58 7 7 GLN CB C 28.188 0.063 1 59 7 7 GLN CG C 33.626 0.004 1 60 7 7 GLN N N 118.940 0.044 1 61 7 7 GLN NE2 N 111.382 0.036 1 62 8 8 ALA H H 8.306 0.011 1 63 8 8 ALA HA H 4.217 0.012 1 64 8 8 ALA HB H 1.589 0.016 1 65 8 8 ALA C C 180.837 0.000 1 66 8 8 ALA CA C 55.319 0.037 1 67 8 8 ALA CB C 17.695 0.064 1 68 8 8 ALA N N 122.920 0.047 1 69 9 9 ARG H H 8.263 0.011 1 70 9 9 ARG HA H 4.050 0.014 1 71 9 9 ARG HB2 H 1.880 0.021 2 72 9 9 ARG HB3 H 2.001 0.010 2 73 9 9 ARG HG2 H 1.644 0.010 1 74 9 9 ARG HG3 H 1.644 0.010 1 75 9 9 ARG HD2 H 3.205 0.005 2 76 9 9 ARG HD3 H 3.206 0.005 2 77 9 9 ARG C C 178.843 0.000 1 78 9 9 ARG CA C 59.721 0.045 1 79 9 9 ARG CB C 30.168 0.032 1 80 9 9 ARG CG C 30.021 0.000 1 81 9 9 ARG CD C 43.393 0.017 1 82 9 9 ARG N N 118.721 0.031 1 83 10 10 ARG H H 8.251 0.008 1 84 10 10 ARG HA H 4.074 0.014 1 85 10 10 ARG HB2 H 2.009 0.014 1 86 10 10 ARG HB3 H 2.009 0.014 1 87 10 10 ARG HG2 H 1.657 0.010 1 88 10 10 ARG HG3 H 1.657 0.010 1 89 10 10 ARG HD2 H 3.208 0.012 2 90 10 10 ARG HD3 H 3.212 0.011 2 91 10 10 ARG C C 179.024 0.000 1 92 10 10 ARG CA C 59.542 0.041 1 93 10 10 ARG CB C 29.904 0.042 1 94 10 10 ARG CG C 26.968 0.000 1 95 10 10 ARG CD C 43.379 0.063 1 96 10 10 ARG N N 120.338 0.044 1 97 11 11 ASN H H 8.551 0.006 1 98 11 11 ASN HA H 4.543 0.016 1 99 11 11 ASN HB2 H 3.022 0.013 2 100 11 11 ASN HB3 H 2.886 0.010 2 101 11 11 ASN HD21 H 6.947 0.008 1 102 11 11 ASN HD22 H 7.662 0.007 1 103 11 11 ASN C C 177.279 0.000 1 104 11 11 ASN CA C 55.979 0.048 1 105 11 11 ASN CB C 37.983 0.104 1 106 11 11 ASN N N 118.863 0.026 1 107 11 11 ASN ND2 N 111.260 0.040 1 108 12 12 ARG H H 8.253 0.008 1 109 12 12 ARG HA H 4.079 0.020 1 110 12 12 ARG HB2 H 2.018 0.015 2 111 12 12 ARG HB3 H 2.016 0.014 2 112 12 12 ARG HG2 H 1.656 0.012 1 113 12 12 ARG HG3 H 1.656 0.012 1 114 12 12 ARG HD2 H 3.212 0.011 2 115 12 12 ARG HD3 H 3.209 0.012 2 116 12 12 ARG C C 178.488 0.000 1 117 12 12 ARG CA C 59.787 0.052 1 118 12 12 ARG CB C 29.937 0.000 1 119 12 12 ARG CD C 43.215 0.000 1 120 12 12 ARG N N 120.917 0.037 1 121 13 13 ARG H H 8.167 0.006 1 122 13 13 ARG HA H 4.189 0.015 1 123 13 13 ARG HB2 H 2.035 0.019 1 124 13 13 ARG HB3 H 2.036 0.018 1 125 13 13 ARG HG2 H 1.688 0.011 2 126 13 13 ARG HG3 H 1.683 0.016 2 127 13 13 ARG HD2 H 3.227 0.016 2 128 13 13 ARG HD3 H 3.223 0.016 2 129 13 13 ARG C C 178.479 0.000 1 130 13 13 ARG CA C 59.572 0.050 1 131 13 13 ARG CB C 30.067 0.023 1 132 13 13 ARG CG C 27.631 0.023 1 133 13 13 ARG N N 119.263 0.038 1 134 14 14 ARG H H 8.285 0.010 1 135 14 14 ARG HA H 4.141 0.018 1 136 14 14 ARG HB2 H 2.047 0.018 1 137 14 14 ARG HB3 H 2.047 0.018 1 138 14 14 ARG HG2 H 1.694 0.008 1 139 14 14 ARG HG3 H 1.694 0.008 1 140 14 14 ARG HD2 H 3.246 0.008 1 141 14 14 ARG HD3 H 3.246 0.008 1 142 14 14 ARG C C 178.817 0.000 1 143 14 14 ARG CA C 59.695 0.020 1 144 14 14 ARG CB C 29.812 0.018 1 145 14 14 ARG CG C 27.631 0.019 1 146 14 14 ARG N N 119.756 0.051 1 147 15 15 ARG H H 8.278 0.006 1 148 15 15 ARG HA H 4.158 0.018 1 149 15 15 ARG HB2 H 2.009 0.010 2 150 15 15 ARG HB3 H 2.019 0.017 2 151 15 15 ARG HG2 H 1.704 0.019 1 152 15 15 ARG HG3 H 1.704 0.019 1 153 15 15 ARG HD2 H 3.232 0.017 2 154 15 15 ARG HD3 H 3.236 0.015 2 155 15 15 ARG C C 178.909 0.000 1 156 15 15 ARG CA C 59.233 0.027 1 157 15 15 ARG CB C 29.772 0.012 1 158 15 15 ARG CG C 27.631 0.023 1 159 15 15 ARG CD C 43.418 0.000 1 160 15 15 ARG N N 119.026 0.041 1 161 16 16 TRP H H 8.464 0.007 1 162 16 16 TRP HA H 4.389 0.021 1 163 16 16 TRP HB2 H 3.558 0.014 2 164 16 16 TRP HB3 H 3.441 0.013 2 165 16 16 TRP HD1 H 7.228 0.012 1 166 16 16 TRP HE1 H 9.999 0.008 1 167 16 16 TRP HE3 H 7.232 0.015 1 168 16 16 TRP HZ2 H 7.440 0.011 1 169 16 16 TRP HZ3 H 7.198 0.000 1 170 16 16 TRP C C 178.621 0.000 1 171 16 16 TRP CA C 61.013 0.041 1 172 16 16 TRP CB C 28.796 0.046 1 173 16 16 TRP CD1 C 74.463 0.000 1 174 16 16 TRP CE3 C 70.440 0.000 1 175 16 16 TRP CZ2 C 62.373 0.000 1 176 16 16 TRP CZ3 C 72.397 0.000 1 177 16 16 TRP N N 121.055 0.035 1 178 16 16 TRP NE1 N 128.133 0.000 1 179 17 17 ARG H H 8.537 0.008 1 180 17 17 ARG HA H 3.910 0.011 1 181 17 17 ARG HB2 H 1.994 0.020 2 182 17 17 ARG HB3 H 2.041 0.012 2 183 17 17 ARG HG2 H 1.719 0.013 1 184 17 17 ARG HG3 H 1.719 0.013 1 185 17 17 ARG HD2 H 3.247 0.012 2 186 17 17 ARG HD3 H 3.245 0.012 2 187 17 17 ARG C C 179.120 0.000 1 188 17 17 ARG CA C 59.627 0.070 1 189 17 17 ARG CB C 29.907 0.000 1 190 17 17 ARG CG C 27.631 0.023 1 191 17 17 ARG CD C 43.510 0.000 1 192 17 17 ARG N N 119.474 0.026 1 193 18 18 GLU H H 8.346 0.007 1 194 18 18 GLU HA H 4.061 0.017 1 195 18 18 GLU HB2 H 2.124 0.011 2 196 18 18 GLU HB3 H 2.220 0.013 2 197 18 18 GLU HG2 H 2.371 0.011 2 198 18 18 GLU HG3 H 2.488 0.009 2 199 18 18 GLU C C 179.163 0.000 1 200 18 18 GLU CA C 59.138 0.038 1 201 18 18 GLU CB C 29.135 0.084 1 202 18 18 GLU CG C 36.128 0.090 1 203 18 18 GLU N N 119.223 0.031 1 204 19 19 ARG H H 8.104 0.009 1 205 19 19 ARG HA H 4.046 0.018 1 206 19 19 ARG HB2 H 1.800 0.006 2 207 19 19 ARG HB3 H 1.923 0.008 2 208 19 19 ARG HG2 H 1.630 0.012 2 209 19 19 ARG HG3 H 1.627 0.011 2 210 19 19 ARG HD2 H 3.199 0.003 1 211 19 19 ARG HD3 H 3.199 0.003 1 212 19 19 ARG C C 178.634 0.000 1 213 19 19 ARG CA C 59.016 0.048 1 214 19 19 ARG CB C 29.371 0.108 1 215 19 19 ARG CG C 28.006 0.000 1 216 19 19 ARG N N 119.942 0.037 1 217 20 20 GLN H H 8.044 0.008 1 218 20 20 GLN HA H 3.892 0.013 1 219 20 20 GLN HB2 H 1.938 0.016 2 220 20 20 GLN HB3 H 1.917 0.017 2 221 20 20 GLN HG2 H 1.906 0.009 2 222 20 20 GLN HG3 H 1.909 0.011 2 223 20 20 GLN HE21 H 6.317 0.010 1 224 20 20 GLN HE22 H 6.469 0.006 1 225 20 20 GLN C C 178.465 0.000 1 226 20 20 GLN CA C 58.170 0.044 1 227 20 20 GLN CB C 28.113 0.075 1 228 20 20 GLN CG C 33.168 0.027 1 229 20 20 GLN N N 118.373 0.029 1 230 20 20 GLN NE2 N 109.598 0.033 1 231 21 21 ARG H H 8.079 0.011 1 232 21 21 ARG HA H 4.034 0.013 1 233 21 21 ARG HB2 H 1.797 0.011 2 234 21 21 ARG HB3 H 1.926 0.016 2 235 21 21 ARG HG2 H 1.630 0.012 2 236 21 21 ARG HG3 H 1.629 0.012 2 237 21 21 ARG HD2 H 3.199 0.007 1 238 21 21 ARG HD3 H 3.199 0.007 1 239 21 21 ARG C C 178.423 0.000 1 240 21 21 ARG CA C 58.765 0.014 1 241 21 21 ARG CB C 29.676 0.016 1 242 21 21 ARG CG C 27.041 0.000 1 243 21 21 ARG CD C 43.209 0.000 1 244 21 21 ARG N N 119.374 0.033 1 245 22 22 ALA H H 8.026 0.011 1 246 22 22 ALA HA H 4.146 0.009 1 247 22 22 ALA HB H 1.476 0.018 1 248 22 22 ALA C C 179.577 0.000 1 249 22 22 ALA CA C 54.267 0.041 1 250 22 22 ALA CB C 17.831 0.053 1 251 22 22 ALA N N 121.393 0.023 1 252 23 23 ALA H H 7.938 0.007 1 253 23 23 ALA HA H 4.158 0.011 1 254 23 23 ALA HB H 1.463 0.014 1 255 23 23 ALA C C 178.616 0.000 1 256 23 23 ALA CA C 53.714 0.035 1 257 23 23 ALA CB C 18.045 0.021 1 258 23 23 ALA N N 119.867 0.032 1 259 24 24 ALA H H 7.693 0.011 1 260 24 24 ALA HA H 4.291 0.011 1 261 24 24 ALA HB H 1.472 0.014 1 262 24 24 ALA C C 177.528 0.000 1 263 24 24 ALA CA C 52.706 0.049 1 264 24 24 ALA CB C 18.591 0.030 1 265 24 24 ALA N N 119.652 0.022 1 266 25 25 ALA H H 7.679 0.006 1 267 25 25 ALA HA H 4.329 0.014 1 268 25 25 ALA HB H 1.468 0.009 1 269 25 25 ALA C C 176.649 0.000 1 270 25 25 ALA CA C 52.566 0.046 1 271 25 25 ALA CB C 18.630 0.030 1 272 25 25 ALA N N 121.574 0.028 1 273 26 26 ARG H H 7.582 0.008 1 274 26 26 ARG HA H 4.185 0.010 1 275 26 26 ARG HB2 H 1.777 0.010 2 276 26 26 ARG HB3 H 1.895 0.011 2 277 26 26 ARG HG2 H 1.661 0.011 2 278 26 26 ARG HG3 H 1.662 0.011 2 279 26 26 ARG HD2 H 3.216 0.011 2 280 26 26 ARG HD3 H 3.212 0.006 2 281 26 26 ARG CA C 57.374 0.024 1 282 26 26 ARG CB C 31.569 0.053 1 283 26 26 ARG CG C 26.960 0.016 1 284 26 26 ARG N N 124.295 0.020 1 stop_ save_