data_18851 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HIV-1 Rev ARM peptide (residues T34-R50) ; _BMRB_accession_number 18851 _BMRB_flat_file_name bmr18851.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 ; Chemical shift assignments for HIV-1 Rev ARM peptide, which comprises native residues 34-50 of the HIV-1 Rev protein and constitutes the protein RNA-binding domain and nuclear export signal ; 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" 149 "13C chemical shifts" 103 "15N chemical shifts" 27 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-09-04 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18852 'HIV-1 Rev ARM peptide (residues T34-R50)' 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 single polypeptide chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HIV-1 Rev ARM peptide' $HIV-1_Rev_ARM 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_HIV-1_Rev_ARM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HIV-1_Rev_ARM _Molecular_mass . _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 2014-05-12 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 18852 Rev_ARM_peptide 100.00 26 100.00 100.00 5.78e-05 PDB 2M1A "Hiv-1 Rev Arm Peptide (residues T34-r50)" 100.00 26 100.00 100.00 5.78e-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 $HIV-1_Rev_ARM HIV-1 11676 Viruses . Lentivirus HIV-1 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 $HIV-1_Rev_ARM '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-labeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_Rev_ARM 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 90.0 % 'natural abundance' stop_ save_ save_Rev_ARM_15N-13C _Saveframe_category sample _Sample_type solution _Details 'Uniformly 15N,13C-labeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HIV-1_Rev_ARM 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 90.0 % '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_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNmr _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' 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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $Rev_ARM_15N-13C save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $Rev_ARM_15N-13C save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $Rev_ARM_15N-13C save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Rev_ARM_15N save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $Rev_ARM_15N-13C save_ save_3D_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $Rev_ARM_15N 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 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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-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' _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 C C 178.406 0.000 1 2 2 2 ALA CA C 52.904 0.049 1 3 2 2 ALA CB C 18.973 0.151 1 4 3 3 MET H H 8.671 0.003 1 5 3 3 MET HA H 4.392 0.026 1 6 3 3 MET HB2 H 1.886 0.094 1 7 3 3 MET HB3 H 1.886 0.094 1 8 3 3 MET HG2 H 2.493 0.113 1 9 3 3 MET HG3 H 2.541 0.078 1 10 3 3 MET C C 176.744 0.000 1 11 3 3 MET CA C 55.966 0.103 1 12 3 3 MET CB C 32.621 0.093 1 13 3 3 MET CG C 32.243 0.093 1 14 3 3 MET N N 120.101 0.047 1 15 4 4 ALA H H 8.528 0.002 1 16 4 4 ALA HA H 4.349 0.019 1 17 4 4 ALA HB H 1.299 0.147 1 18 4 4 ALA C C 178.759 0.000 1 19 4 4 ALA CA C 53.049 0.086 1 20 4 4 ALA CB C 18.667 0.106 1 21 4 4 ALA N N 125.504 0.033 1 22 5 5 THR H H 8.205 0.003 1 23 5 5 THR HA H 4.243 0.023 1 24 5 5 THR HB H 4.265 0.017 1 25 5 5 THR HG2 H 1.025 0.121 1 26 5 5 THR C C 175.294 0.000 1 27 5 5 THR CA C 62.663 0.088 1 28 5 5 THR CB C 69.660 0.109 1 29 5 5 THR CG2 C 21.692 0.203 1 30 5 5 THR N N 113.960 0.039 1 31 6 6 ARG H H 8.490 0.002 1 32 6 6 ARG HA H 4.168 0.023 1 33 6 6 ARG HB2 H 1.664 0.099 1 34 6 6 ARG HB3 H 1.664 0.099 1 35 6 6 ARG HG2 H 1.467 0.117 1 36 6 6 ARG HG3 H 1.448 0.130 1 37 6 6 ARG HD2 H 3.081 0.067 1 38 6 6 ARG HD3 H 3.081 0.067 1 39 6 6 ARG C C 177.537 0.000 1 40 6 6 ARG CA C 57.661 0.063 1 41 6 6 ARG CB C 30.322 0.103 1 42 6 6 ARG CG C 26.708 0.000 1 43 6 6 ARG CD C 43.327 0.119 1 44 6 6 ARG N N 123.265 0.037 1 45 7 7 GLN H H 8.513 0.002 1 46 7 7 GLN HA H 4.141 0.029 1 47 7 7 GLN HB2 H 1.892 0.091 1 48 7 7 GLN HB3 H 1.892 0.091 1 49 7 7 GLN HG2 H 2.250 0.089 1 50 7 7 GLN HG3 H 2.250 0.089 1 51 7 7 GLN HE21 H 7.644 0.009 1 52 7 7 GLN HE22 H 7.020 0.008 1 53 7 7 GLN C C 176.695 0.000 1 54 7 7 GLN CA C 56.963 0.104 1 55 7 7 GLN CB C 28.863 0.121 1 56 7 7 GLN CG C 33.684 0.183 1 57 7 7 GLN N N 120.921 0.028 1 58 7 7 GLN NE2 N 111.382 0.036 1 59 8 8 ALA H H 8.344 0.002 1 60 8 8 ALA HA H 4.234 0.028 1 61 8 8 ALA HB H 1.272 0.134 1 62 8 8 ALA C C 179.237 0.000 1 63 8 8 ALA CA C 53.610 0.058 1 64 8 8 ALA CB C 18.443 0.122 1 65 8 8 ALA N N 124.478 0.035 1 66 9 9 ARG H H 8.339 0.001 1 67 9 9 ARG HA H 4.159 0.019 1 68 9 9 ARG HB2 H 1.731 0.140 1 69 9 9 ARG HB3 H 1.731 0.140 1 70 9 9 ARG HG2 H 1.503 0.131 1 71 9 9 ARG HG3 H 1.503 0.131 1 72 9 9 ARG HD2 H 3.106 0.089 1 73 9 9 ARG HD3 H 3.106 0.089 1 74 9 9 ARG C C 177.663 0.000 1 75 9 9 ARG CA C 57.586 0.082 1 76 9 9 ARG CB C 30.247 0.072 1 77 9 9 ARG CG C 26.739 0.000 1 78 9 9 ARG CD C 43.077 0.000 1 79 9 9 ARG N N 120.066 0.048 1 80 10 10 ARG H H 8.377 0.000 1 81 10 10 ARG HA H 4.204 0.000 1 82 10 10 ARG HB2 H 1.865 0.000 1 83 10 10 ARG HB3 H 1.865 0.000 1 84 10 10 ARG HG2 H 1.640 0.000 1 85 10 10 ARG HG3 H 1.640 0.000 1 86 10 10 ARG HD2 H 3.163 0.000 1 87 10 10 ARG HD3 H 3.163 0.000 1 88 10 10 ARG C C 177.502 0.000 1 89 10 10 ARG CA C 57.438 0.058 1 90 10 10 ARG CB C 30.311 0.122 1 91 10 10 ARG CG C 26.772 0.000 1 92 10 10 ARG CD C 43.085 0.000 1 93 10 10 ARG N N 121.650 0.040 1 94 11 11 ASN H H 8.553 0.002 1 95 11 11 ASN HA H 4.633 0.034 1 96 11 11 ASN HB2 H 2.762 0.072 1 97 11 11 ASN HB3 H 2.762 0.072 1 98 11 11 ASN HD21 H 7.775 0.000 1 99 11 11 ASN HD22 H 7.098 0.000 1 100 11 11 ASN C C 176.216 0.000 1 101 11 11 ASN CB C 38.221 0.156 1 102 11 11 ASN N N 119.602 0.067 1 103 11 11 ASN ND2 N 113.266 0.000 1 104 12 12 ARG H H 8.324 0.003 1 105 12 12 ARG HA H 4.206 0.009 1 106 12 12 ARG HB2 H 1.884 0.000 1 107 12 12 ARG HB3 H 1.884 0.000 1 108 12 12 ARG HG2 H 1.734 0.000 1 109 12 12 ARG HG3 H 1.734 0.000 1 110 12 12 ARG HD2 H 3.171 0.000 1 111 12 12 ARG HD3 H 3.171 0.000 1 112 12 12 ARG C C 177.534 0.000 1 113 12 12 ARG CA C 57.568 0.031 1 114 12 12 ARG CB C 30.187 0.022 1 115 12 12 ARG CG C 26.758 0.000 1 116 12 12 ARG CD C 43.051 0.000 1 117 12 12 ARG N N 121.578 0.040 1 118 13 13 ARG H H 8.350 0.002 1 119 13 13 ARG HA H 4.284 0.009 1 120 13 13 ARG HB2 H 1.907 0.000 1 121 13 13 ARG HB3 H 1.907 0.000 1 122 13 13 ARG HG2 H 1.677 0.000 1 123 13 13 ARG HG3 H 1.677 0.000 1 124 13 13 ARG HD2 H 3.210 0.000 1 125 13 13 ARG HD3 H 3.210 0.000 1 126 13 13 ARG C C 177.682 0.000 1 127 13 13 ARG CA C 57.385 0.056 1 128 13 13 ARG CB C 30.221 0.010 1 129 13 13 ARG CG C 26.778 0.000 1 130 13 13 ARG CD C 43.087 0.000 1 131 13 13 ARG N N 121.272 0.055 1 132 14 14 ARG H H 8.377 0.002 1 133 14 14 ARG HA H 4.200 0.004 1 134 14 14 ARG HB2 H 1.865 0.000 1 135 14 14 ARG HB3 H 1.865 0.000 1 136 14 14 ARG HG2 H 1.640 0.000 1 137 14 14 ARG HG3 H 1.640 0.000 1 138 14 14 ARG HD2 H 3.163 0.000 1 139 14 14 ARG HD3 H 3.163 0.000 1 140 14 14 ARG C C 177.531 0.000 1 141 14 14 ARG CA C 57.657 0.053 1 142 14 14 ARG CB C 30.103 0.094 1 143 14 14 ARG CG C 26.667 0.000 1 144 14 14 ARG CD C 43.070 0.000 1 145 14 14 ARG N N 121.697 0.067 1 146 15 15 ARG H H 8.440 0.002 1 147 15 15 ARG HA H 4.226 0.012 1 148 15 15 ARG HB2 H 1.857 0.000 1 149 15 15 ARG HB3 H 1.857 0.000 1 150 15 15 ARG HG2 H 1.620 0.000 1 151 15 15 ARG HG3 H 1.620 0.000 1 152 15 15 ARG C C 177.499 0.000 1 153 15 15 ARG CA C 57.439 0.075 1 154 15 15 ARG CB C 30.052 0.036 1 155 15 15 ARG CG C 26.813 0.000 1 156 15 15 ARG CD C 43.053 0.000 1 157 15 15 ARG N N 120.796 0.048 1 158 16 16 TRP H H 8.292 0.003 1 159 16 16 TRP HA H 4.465 0.021 1 160 16 16 TRP HB2 H 3.277 0.042 1 161 16 16 TRP HB3 H 3.379 0.000 1 162 16 16 TRP HD1 H 7.038 0.000 1 163 16 16 TRP HE3 H 7.112 0.000 1 164 16 16 TRP HZ2 H 7.226 0.000 1 165 16 16 TRP HZ3 H 6.964 0.000 1 166 16 16 TRP HH2 H 6.872 0.000 1 167 16 16 TRP C C 177.419 0.000 1 168 16 16 TRP CA C 59.229 0.105 1 169 16 16 TRP CB C 29.047 0.156 1 170 16 16 TRP CD1 C 125.065 0.000 1 171 16 16 TRP CE3 C 120.328 0.000 1 172 16 16 TRP CZ2 C 112.274 0.000 1 173 16 16 TRP CZ3 C 122.347 0.000 1 174 16 16 TRP CH2 C 119.550 0.000 1 175 16 16 TRP N N 121.773 0.064 1 176 17 17 ARG H H 8.252 0.005 1 177 17 17 ARG HA H 3.929 0.032 1 178 17 17 ARG HB2 H 1.592 0.080 1 179 17 17 ARG HB3 H 1.592 0.080 1 180 17 17 ARG HD2 H 3.125 0.000 1 181 17 17 ARG HD3 H 3.054 0.050 1 182 17 17 ARG C C 177.626 0.000 1 183 17 17 ARG CA C 57.694 0.072 1 184 17 17 ARG CB C 30.318 0.152 1 185 17 17 ARG CG C 26.649 0.000 1 186 17 17 ARG CD C 43.049 0.000 1 187 17 17 ARG N N 121.304 0.037 1 188 18 18 GLU H H 8.275 0.003 1 189 18 18 GLU HA H 4.042 0.031 1 190 18 18 GLU HB2 H 1.847 0.078 1 191 18 18 GLU HB3 H 1.847 0.078 1 192 18 18 GLU HG2 H 2.169 0.079 1 193 18 18 GLU HG3 H 2.157 0.083 1 194 18 18 GLU C C 177.806 0.000 1 195 18 18 GLU CA C 57.663 0.085 1 196 18 18 GLU CB C 29.609 0.130 1 197 18 18 GLU CG C 36.279 0.179 1 198 18 18 GLU N N 120.426 0.028 1 199 19 19 ARG H H 8.198 0.002 1 200 19 19 ARG HA H 4.180 0.014 1 201 19 19 ARG HB2 H 1.836 0.000 1 202 19 19 ARG HB3 H 1.836 0.000 1 203 19 19 ARG HG2 H 1.621 0.000 1 204 19 19 ARG HG3 H 1.621 0.000 1 205 19 19 ARG HD2 H 3.164 0.000 1 206 19 19 ARG HD3 H 3.164 0.000 1 207 19 19 ARG C C 177.528 0.000 1 208 19 19 ARG CA C 57.372 0.076 1 209 19 19 ARG CB C 30.113 0.075 1 210 19 19 ARG CG C 26.868 0.000 1 211 19 19 ARG CD C 43.082 0.000 1 212 19 19 ARG N N 121.100 0.036 1 213 20 20 GLN H H 8.243 0.002 1 214 20 20 GLN HA H 4.081 0.026 1 215 20 20 GLN HB2 H 1.786 0.084 1 216 20 20 GLN HB3 H 1.743 0.102 1 217 20 20 GLN HG2 H 1.952 0.089 1 218 20 20 GLN HG3 H 1.952 0.089 1 219 20 20 GLN HE21 H 7.321 0.000 1 220 20 20 GLN HE22 H 6.850 0.000 1 221 20 20 GLN C C 177.040 0.000 1 222 20 20 GLN CA C 56.564 0.087 1 223 20 20 GLN CB C 28.786 0.119 1 224 20 20 GLN CG C 33.392 0.164 1 225 20 20 GLN N N 120.468 0.040 1 226 20 20 GLN NE2 N 112.948 0.000 1 227 21 21 ARG H H 8.255 0.003 1 228 21 21 ARG HA H 4.199 0.002 1 229 21 21 ARG HB2 H 1.823 0.000 1 230 21 21 ARG HB3 H 1.823 0.000 1 231 21 21 ARG HG2 H 1.687 0.000 1 232 21 21 ARG HG3 H 1.687 0.000 1 233 21 21 ARG HD2 H 3.196 0.000 1 234 21 21 ARG HD3 H 3.196 0.000 1 235 21 21 ARG C C 176.990 0.000 1 236 21 21 ARG CA C 56.890 0.088 1 237 21 21 ARG CB C 30.404 0.060 1 238 21 21 ARG CG C 26.523 0.000 1 239 21 21 ARG CD C 42.968 0.000 1 240 21 21 ARG N N 121.778 0.047 1 241 22 22 ALA H H 8.263 0.001 1 242 22 22 ALA HA H 4.211 0.030 1 243 22 22 ALA HB H 1.222 0.137 1 244 22 22 ALA C C 178.179 0.000 1 245 22 22 ALA CA C 52.882 0.064 1 246 22 22 ALA CB C 18.646 0.201 1 247 22 22 ALA N N 124.295 0.033 1 248 23 23 ALA H H 8.174 0.002 1 249 23 23 ALA HA H 4.239 0.010 1 250 23 23 ALA HB H 1.258 0.147 1 251 23 23 ALA C C 177.849 0.000 1 252 23 23 ALA CA C 52.652 0.090 1 253 23 23 ALA CB C 18.641 0.113 1 254 23 23 ALA N N 122.589 0.038 1 255 24 24 ALA H H 8.101 0.001 1 256 24 24 ALA HA H 4.280 0.006 1 257 24 24 ALA HB H 1.294 0.121 1 258 24 24 ALA C C 177.453 0.000 1 259 24 24 ALA CA C 52.257 0.031 1 260 24 24 ALA CB C 18.899 0.101 1 261 24 24 ALA N N 122.410 0.034 1 262 25 25 ALA H H 8.169 0.001 1 263 25 25 ALA HA H 4.316 0.001 1 264 25 25 ALA HB H 1.413 0.000 1 265 25 25 ALA C C 176.875 0.000 1 266 25 25 ALA CA C 52.334 0.049 1 267 25 25 ALA CB C 18.891 0.114 1 268 25 25 ALA N N 123.688 0.028 1 269 26 26 ARG H H 7.955 0.003 1 270 26 26 ARG HA H 4.157 0.004 1 271 26 26 ARG HB2 H 1.808 0.000 1 272 26 26 ARG HB3 H 1.808 0.000 1 273 26 26 ARG HG2 H 1.690 0.000 1 274 26 26 ARG HG3 H 1.690 0.000 1 275 26 26 ARG HD2 H 3.208 0.000 1 276 26 26 ARG HD3 H 3.208 0.000 1 277 26 26 ARG CA C 57.299 0.017 1 278 26 26 ARG CB C 31.155 0.000 1 279 26 26 ARG N N 125.581 0.043 1 stop_ save_