data_5682 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of 30S Ribosomal Protein S27E from Archaeoglobus Fulgidus: RS27_ARCFU: a novel fold ; _BMRB_accession_number 5682 _BMRB_flat_file_name bmr5682.str _Entry_type original _Submission_date 2003-01-31 _Accession_date 2003-01-31 _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 'Herve Du Penhoat' C. . . 2 Atreya H. S. . 3 Shen Y. . . 4 Liu G. . . 5 Acton T. . . 6 Xiao R. . . 7 Montelione G. T. . 8 Szyperski T. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 340 "13C chemical shifts" 239 "15N chemical shifts" 58 "coupling constants" 33 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-06-30 original author . stop_ _Original_release_date 2004-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of 30S Ribosomal Protein S27E from Archaeoglobus Fulgidus: RS27_ARCFU: a novel fold ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15096641 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Herve Du Penhoat' C. . . 2 Atreya H. S. . 3 Shen Y. . . 4 Liu G. . . 5 Acton T. . . 6 Xiao R. . . 7 Dang J. . . 8 Murray D. . . 9 Montelione G. T. . 10 Szyperski T. . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 13 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1407 _Page_last 1416 _Year 2004 _Details . loop_ _Keyword 'STRUCTURAL GENOMICS' 'BETA SHEET' 'NESGC TARGET GR2' stop_ save_ ################################## # Molecular system description # ################################## save_system_RS27_ARCFU _Saveframe_category molecular_system _Mol_system_name '30S ribosomal protein S27e' _Abbreviation_common RS27_ARCFU _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '30S RIBOSOMAL PROTEIN S27E' $S27e stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'ribosomal protein of unknown function' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_S27e _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'S27 ribosomal protein' _Abbreviation_common S27e _Molecular_mass 7578 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; MHSRFVKVKCPDCEHEQVIF DHPSTIVKCIICGRTVAEPT GGKGNIKAEIIEYVDQIELE HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 SER 4 ARG 5 PHE 6 VAL 7 LYS 8 VAL 9 LYS 10 CYS 11 PRO 12 ASP 13 CYS 14 GLU 15 HIS 16 GLU 17 GLN 18 VAL 19 ILE 20 PHE 21 ASP 22 HIS 23 PRO 24 SER 25 THR 26 ILE 27 VAL 28 LYS 29 CYS 30 ILE 31 ILE 32 CYS 33 GLY 34 ARG 35 THR 36 VAL 37 ALA 38 GLU 39 PRO 40 THR 41 GLY 42 GLY 43 LYS 44 GLY 45 ASN 46 ILE 47 LYS 48 ALA 49 GLU 50 ILE 51 ILE 52 GLU 53 TYR 54 VAL 55 ASP 56 GLN 57 ILE 58 GLU 59 LEU 60 GLU 61 HIS 62 HIS 63 HIS 64 HIS 65 HIS 66 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-04 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 1QXF "Solution Structure Of 30s Ribosomal Protein S27e From Archaeoglobus Fulgidus: Gr2, A Nesg Target Protein" 100.00 66 100.00 100.00 8.13e-39 GB AAB89911 "SSU ribosomal protein S27E (rps27E) [Archaeoglobus fulgidus DSM 4304]" 87.88 58 100.00 100.00 3.90e-33 GB AIG98214 "Ribosomal protein S27E [Archaeoglobus fulgidus DSM 8774]" 87.88 58 100.00 100.00 3.90e-33 REF NP_070163 "30S ribosomal protein S27e [Archaeoglobus fulgidus DSM 4304]" 87.88 58 100.00 100.00 3.90e-33 REF WP_010878831 "30S ribosomal protein S27ae [Archaeoglobus fulgidus]" 87.88 58 100.00 100.00 3.90e-33 SP O28935 "RecName: Full=30S ribosomal protein S27e [Archaeoglobus fulgidus DSM 4304]" 87.88 58 100.00 100.00 3.90e-33 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $S27e 'Archaeoglobus fulgidus' 2234 Archaea Fungi Archaeoglobus fulgidus ; The full length GR2 (RS27_ARCFU) gene from Archaeglobus fulgidus was cloned and then expressed in Escherichia Coli. ; 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 _Details $S27e 'recombinant technology' 'E. coli' Escherichia coli . . ; The full length GR2 (RS27_ARCFU) gene from Archaeglobus fulgidus was cloned and then expressed in Escherichia Coli. ; 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 $S27e 0.8 mM '[U-100% 13C; U-100% 15N]' MES 20 mM . NaCl 100 mM . DTT 10 mM . CaCl2 5 mM . NaN3 0.02 % . D2O 5 % . H2O 95 % . stop_ save_ save_Sample2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S27e 0.8 mM '[U-5% 13C; U-90% 15N]' MES 20 mM . NaCl 100 mM . DTT 10 mM . CaCl2 5 mM . NaN3 0.02 % . D2O 5 % . H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 1.05 loop_ _Task refinement stop_ _Details 'GUNTERT, P.' save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details 'GUNTERT, P.' save_ save_MOLMOL _Saveframe_category software _Name MOLMOL _Version 1.0 loop_ _Task 'structure solution' stop_ _Details 'KORADI, R.' save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.3 loop_ _Task 'structure solution' stop_ _Details 'BILLETER, M.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model UNITYPlus _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model UNITYPlus _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-SEPARATED_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-SEPARATED NOESY' _Sample_label . save_ save_3D_15N-SEPARATED_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-SEPARATED NOESY' _Sample_label . save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HCCH-COSY_RD_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY RD' _Sample_label . save_ save_3D_HABCAB(CO)NH_RD_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HABCAB(CO)NH RD' _Sample_label . save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_2D_[1H-1H]_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [1H-1H] NOESY' _Sample_label . save_ save_2D_C13HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D C13HSQC' _Sample_label . save_ save_Constant_time_gChsqc_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'Constant time gChsqc' _Sample_label . save_ save_non-Constant_time_gChsqc_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'non-Constant time gChsqc' _Sample_label . save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 na temperature 298 0.5 K pressure 1.0 . atm 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-SEPARATED NOESY' '3D 15N-SEPARATED NOESY' '3D HNCACB' stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name '30S RIBOSOMAL PROTEIN S27E' _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 MET CA C 56.0 0.1 1 2 . 1 MET CB C 30.3 0.1 1 3 . 1 MET HE H 2.04 0.02 1 4 . 1 MET CE C 16.8 0.1 1 5 . 1 MET C C 173.9 0.1 1 6 . 2 HIS N N 125.4 0.1 1 7 . 2 HIS H H 8.12 0.02 1 8 . 2 HIS CA C 57.2 0.1 1 9 . 2 HIS HA H 4.43 0.02 1 10 . 2 HIS CB C 30.3 0.1 1 11 . 2 HIS HB2 H 3.07 0.02 2 12 . 2 HIS HB3 H 3.19 0.02 2 13 . 2 HIS C C 174.6 0.1 1 14 . 3 SER N N 118.2 0.1 1 15 . 3 SER H H 8.26 0.02 1 16 . 3 SER CA C 57.9 0.1 1 17 . 3 SER HA H 4.44 0.02 1 18 . 3 SER CB C 64.3 0.1 1 19 . 3 SER HB2 H 3.41 0.02 2 20 . 3 SER HB3 H 3.70 0.02 2 21 . 3 SER C C 173.5 0.1 1 22 . 4 ARG N N 121.5 0.1 1 23 . 4 ARG H H 8.57 0.02 1 24 . 4 ARG CA C 55.2 0.1 1 25 . 4 ARG HA H 4.65 0.02 1 26 . 4 ARG CB C 33.4 0.1 1 27 . 4 ARG HB2 H 1.74 0.02 1 28 . 4 ARG HB3 H 2.04 0.02 1 29 . 4 ARG CG C 26.8 0.1 1 30 . 4 ARG HG2 H 1.59 0.02 1 31 . 4 ARG HG3 H 1.59 0.02 1 32 . 4 ARG CD C 43.8 0.1 1 33 . 4 ARG HD2 H 3.01 0.02 1 34 . 4 ARG HD3 H 3.01 0.02 1 35 . 4 ARG C C 174.2 0.1 1 36 . 5 PHE N N 118.4 0.1 1 37 . 5 PHE H H 8.59 0.02 1 38 . 5 PHE CA C 57.2 0.1 1 39 . 5 PHE HA H 5.30 0.02 1 40 . 5 PHE CB C 41.0 0.1 1 41 . 5 PHE HB2 H 2.74 0.02 1 42 . 5 PHE HB3 H 2.96 0.02 1 43 . 5 PHE HD1 H 7.11 0.02 1 44 . 5 PHE HD2 H 7.11 0.02 1 45 . 5 PHE HE1 H 7.22 0.02 1 46 . 5 PHE HE2 H 7.22 0.02 1 47 . 5 PHE C C 175.1 0.1 1 48 . 6 VAL N N 119.3 0.1 1 49 . 6 VAL H H 9.40 0.02 1 50 . 6 VAL CA C 59.4 0.1 1 51 . 6 VAL HA H 4.61 0.02 1 52 . 6 VAL CB C 35.7 0.1 1 53 . 6 VAL HB H 1.70 0.02 1 54 . 6 VAL HG1 H 0.64 0.02 1 55 . 6 VAL HG2 H 0.50 0.02 1 56 . 6 VAL CG1 C 21.4 0.1 1 57 . 6 VAL CG2 C 21.2 0.1 1 58 . 6 VAL C C 172.9 0.1 1 59 . 7 LYS N N 127.3 0.1 1 60 . 7 LYS H H 9.04 0.02 1 61 . 7 LYS CA C 55.2 0.1 1 62 . 7 LYS HA H 4.87 0.02 1 63 . 7 LYS CB C 33.9 0.1 1 64 . 7 LYS HB2 H 1.45 0.02 2 65 . 7 LYS HB3 H 1.80 0.02 2 66 . 7 LYS CG C 25.3 0.1 1 67 . 7 LYS HG2 H 1.11 0.02 2 68 . 7 LYS HG3 H 1.14 0.02 2 69 . 7 LYS CD C 29.4 0.1 1 70 . 7 LYS HD2 H 1.47 0.02 1 71 . 7 LYS HD3 H 1.47 0.02 1 72 . 7 LYS CE C 41.6 0.1 1 73 . 7 LYS HE2 H 2.70 0.02 2 74 . 7 LYS HE3 H 2.73 0.02 2 75 . 7 LYS C C 175.2 0.1 1 76 . 8 VAL N N 120.7 0.1 1 77 . 8 VAL H H 9.15 0.02 1 78 . 8 VAL CA C 58.0 0.1 1 79 . 8 VAL HA H 5.38 0.02 1 80 . 8 VAL CB C 34.8 0.1 1 81 . 8 VAL HB H 1.92 0.02 1 82 . 8 VAL HG1 H 0.71 0.02 1 83 . 8 VAL HG2 H 0.65 0.02 1 84 . 8 VAL CG1 C 21.7 0.1 1 85 . 8 VAL CG2 C 17.7 0.1 1 86 . 8 VAL C C 173.7 0.1 1 87 . 9 LYS N N 121.0 0.1 1 88 . 9 LYS H H 8.70 0.02 1 89 . 9 LYS CA C 53.9 0.1 1 90 . 9 LYS HA H 4.77 0.02 1 91 . 9 LYS CB C 36.0 0.1 1 92 . 9 LYS HB2 H 1.67 0.02 1 93 . 9 LYS HB3 H 1.38 0.02 1 94 . 9 LYS CG C 24.5 0.1 1 95 . 9 LYS HG2 H 1.05 0.02 1 96 . 9 LYS HG3 H 1.13 0.02 1 97 . 9 LYS CD C 29.3 0.1 1 98 . 9 LYS HD2 H 1.63 0.02 1 99 . 9 LYS HD3 H 1.63 0.02 1 100 . 9 LYS CE C 41.8 0.1 1 101 . 9 LYS HE2 H 2.86 0.02 2 102 . 9 LYS HE3 H 2.91 0.02 2 103 . 9 LYS C C 175.3 0.1 1 104 . 10 CYS N N 131.2 0.1 1 105 . 10 CYS H H 8.59 0.02 1 106 . 10 CYS CA C 57.5 0.1 1 107 . 10 CYS HA H 4.38 0.02 1 108 . 10 CYS CB C 32.1 0.1 1 109 . 10 CYS HB2 H 3.01 0.02 1 110 . 10 CYS HB3 H 3.25 0.02 1 111 . 11 PRO CD C 51.3 0.1 1 112 . 11 PRO CA C 64.3 0.1 1 113 . 11 PRO HA H 4.48 0.02 1 114 . 11 PRO CB C 32.6 0.1 1 115 . 11 PRO HB2 H 1.97 0.02 2 116 . 11 PRO HB3 H 2.47 0.02 2 117 . 11 PRO CG C 27.2 0.1 1 118 . 11 PRO HG2 H 2.00 0.02 1 119 . 11 PRO HG3 H 2.12 0.02 1 120 . 11 PRO HD2 H 4.02 0.02 1 121 . 11 PRO HD3 H 4.13 0.02 1 122 . 11 PRO C C 176.6 0.1 1 123 . 12 ASP N N 120.8 0.1 1 124 . 12 ASP H H 8.93 0.02 1 125 . 12 ASP CA C 56.1 0.1 1 126 . 12 ASP HA H 4.82 0.02 1 127 . 12 ASP CB C 42.3 0.1 1 128 . 12 ASP HB2 H 2.74 0.02 1 129 . 12 ASP HB3 H 2.74 0.02 1 130 . 12 ASP C C 177.0 0.1 1 131 . 13 CYS N N 120.2 0.1 1 132 . 13 CYS H H 8.50 0.02 1 133 . 13 CYS CA C 59.2 0.1 1 134 . 13 CYS HA H 4.97 0.02 1 135 . 13 CYS CB C 32.1 0.1 1 136 . 13 CYS HB2 H 2.61 0.02 2 137 . 13 CYS HB3 H 3.27 0.02 2 138 . 13 CYS C C 176.7 0.1 1 139 . 14 GLU N N 115.6 0.1 1 140 . 14 GLU H H 7.68 0.02 1 141 . 14 GLU CA C 58.9 0.1 1 142 . 14 GLU HA H 4.09 0.02 1 143 . 14 GLU CB C 27.2 0.1 1 144 . 14 GLU HB2 H 2.19 0.02 2 145 . 14 GLU HB3 H 2.50 0.02 2 146 . 14 GLU CG C 37.1 0.1 1 147 . 14 GLU HG2 H 2.09 0.02 1 148 . 14 GLU HG3 H 2.09 0.02 1 149 . 14 GLU C C 174.8 0.1 1 150 . 15 HIS N N 121.9 0.1 1 151 . 15 HIS H H 8.95 0.02 1 152 . 15 HIS CA C 58.3 0.1 1 153 . 15 HIS HA H 4.50 0.02 1 154 . 15 HIS CB C 30.9 0.1 1 155 . 15 HIS HB2 H 3.06 0.02 2 156 . 15 HIS HB3 H 3.40 0.02 2 157 . 15 HIS HD2 H 7.27 0.02 1 158 . 15 HIS HE1 H 8.34 0.02 1 159 . 15 HIS C C 175.3 0.1 1 160 . 16 GLU N N 127.8 0.1 1 161 . 16 GLU H H 8.25 0.02 1 162 . 16 GLU CA C 54.8 0.1 1 163 . 16 GLU HA H 5.33 0.02 1 164 . 16 GLU CB C 31.1 0.1 1 165 . 16 GLU HB2 H 1.80 0.02 1 166 . 16 GLU HB3 H 1.58 0.02 1 167 . 16 GLU CG C 36.9 0.1 1 168 . 16 GLU HG2 H 1.86 0.02 2 169 . 16 GLU HG3 H 2.32 0.02 2 170 . 16 GLU C C 175.5 0.1 1 171 . 17 GLN N N 119.5 0.1 1 172 . 17 GLN H H 8.93 0.02 1 173 . 17 GLN CA C 54.1 0.1 1 174 . 17 GLN HA H 4.73 0.02 1 175 . 17 GLN CB C 33.3 0.1 1 176 . 17 GLN HB2 H 1.91 0.02 2 177 . 17 GLN HB3 H 2.21 0.02 2 178 . 17 GLN CG C 33.3 0.1 1 179 . 17 GLN HG2 H 2.03 0.02 1 180 . 17 GLN HG3 H 2.03 0.02 1 181 . 17 GLN NE2 N 110.3 0.1 1 182 . 17 GLN HE21 H 6.59 0.02 1 183 . 17 GLN HE22 H 7.74 0.02 1 184 . 17 GLN C C 173.0 0.1 1 185 . 18 VAL N N 124.1 0.1 1 186 . 18 VAL H H 8.71 0.02 1 187 . 18 VAL CA C 55.2 0.1 1 188 . 18 VAL HA H 4.79 0.02 1 189 . 18 VAL CB C 32.2 0.1 1 190 . 18 VAL HB H 1.91 0.02 1 191 . 18 VAL HG1 H 0.81 0.02 1 192 . 18 VAL HG2 H 0.86 0.02 1 193 . 18 VAL CG1 C 22.4 0.1 1 194 . 18 VAL CG2 C 21.8 0.1 1 195 . 18 VAL C C 176.1 0.1 1 196 . 19 ILE N N 122.4 0.1 1 197 . 19 ILE H H 9.30 0.02 1 198 . 19 ILE CA C 58.8 0.1 1 199 . 19 ILE HA H 4.95 0.02 1 200 . 19 ILE CB C 42.0 0.1 1 201 . 19 ILE HB H 1.99 0.02 1 202 . 19 ILE HG2 H 0.83 0.02 1 203 . 19 ILE CG2 C 18.0 0.1 1 204 . 19 ILE CG1 C 26.0 0.1 1 205 . 19 ILE HG12 H 1.26 0.02 1 206 . 19 ILE HG13 H 1.00 0.02 1 207 . 19 ILE HD1 H 0.62 0.02 1 208 . 19 ILE CD1 C 14.8 0.1 1 209 . 19 ILE C C 174.0 0.1 1 210 . 20 PHE N N 122.9 0.1 1 211 . 20 PHE H H 8.45 0.02 1 212 . 20 PHE CA C 56.9 0.1 1 213 . 20 PHE HA H 4.67 0.02 1 214 . 20 PHE CB C 40.8 0.1 1 215 . 20 PHE HB2 H 2.87 0.02 1 216 . 20 PHE HB3 H 2.87 0.02 1 217 . 20 PHE HD1 H 6.60 0.02 1 218 . 20 PHE HD2 H 6.60 0.02 1 219 . 20 PHE HE1 H 7.19 0.02 1 220 . 20 PHE HE2 H 7.19 0.02 1 221 . 20 PHE HZ H 7.26 0.02 1 222 . 20 PHE C C 176.1 0.1 1 223 . 21 ASP N N 121.3 0.1 1 224 . 21 ASP H H 8.27 0.02 1 225 . 21 ASP CA C 54.6 0.1 1 226 . 21 ASP HA H 4.14 0.02 1 227 . 21 ASP CB C 40.6 0.1 1 228 . 21 ASP HB2 H 2.41 0.02 1 229 . 21 ASP HB3 H 2.84 0.02 1 230 . 21 ASP C C 176.5 0.1 1 231 . 22 HIS N N 119.0 0.1 1 232 . 22 HIS H H 8.22 0.02 1 233 . 22 HIS CA C 55.9 0.1 1 234 . 22 HIS HA H 4.77 0.02 1 235 . 22 HIS CB C 30.1 0.1 1 236 . 22 HIS HB2 H 3.03 0.02 2 237 . 22 HIS HB3 H 3.14 0.02 2 238 . 22 HIS HD2 H 7.09 0.02 1 239 . 22 HIS HE1 H 8.08 0.02 1 240 . 23 PRO CD C 49.8 0.1 1 241 . 23 PRO CA C 63.3 0.1 1 242 . 23 PRO HA H 4.63 0.02 1 243 . 23 PRO CB C 32.6 0.1 1 244 . 23 PRO HB2 H 2.33 0.02 2 245 . 23 PRO HB3 H 2.47 0.02 2 246 . 23 PRO CG C 27.0 0.1 1 247 . 23 PRO HG2 H 1.74 0.02 1 248 . 23 PRO HG3 H 1.74 0.02 1 249 . 23 PRO HD2 H 3.30 0.02 2 250 . 23 PRO HD3 H 3.62 0.02 2 251 . 23 PRO C C 170.5 0.1 1 252 . 24 SER N N 109.4 0.1 1 253 . 24 SER H H 7.44 0.02 1 254 . 24 SER CA C 58.8 0.1 1 255 . 24 SER HA H 4.76 0.02 1 256 . 24 SER CB C 64.1 0.1 1 257 . 24 SER HB2 H 3.93 0.02 2 258 . 24 SER HB3 H 4.04 0.02 2 259 . 24 SER C C 173.8 0.1 1 260 . 25 THR N N 113.7 0.1 1 261 . 25 THR H H 7.52 0.02 1 262 . 25 THR CA C 58.8 0.1 1 263 . 25 THR HA H 4.62 0.02 1 264 . 25 THR CB C 71.7 0.1 1 265 . 25 THR HB H 4.33 0.02 1 266 . 25 THR HG2 H 1.18 0.02 1 267 . 25 THR CG2 C 20.6 0.1 1 268 . 25 THR C C 172.5 0.1 1 269 . 26 ILE N N 118.6 0.1 1 270 . 26 ILE H H 8.10 0.02 1 271 . 26 ILE CA C 63.0 0.1 1 272 . 26 ILE HA H 4.18 0.02 1 273 . 26 ILE CB C 39.1 0.1 1 274 . 26 ILE HB H 1.84 0.02 1 275 . 26 ILE HG2 H 1.01 0.02 1 276 . 26 ILE CG2 C 18.4 0.1 1 277 . 26 ILE CG1 C 28.9 0.1 1 278 . 26 ILE HG12 H 1.23 0.02 1 279 . 26 ILE HG13 H 1.76 0.02 1 280 . 26 ILE HD1 H 1.00 0.02 1 281 . 26 ILE CD1 C 13.7 0.1 1 282 . 26 ILE C C 175.9 0.1 1 283 . 27 VAL N N 128.5 0.1 1 284 . 27 VAL H H 8.63 0.02 1 285 . 27 VAL CA C 61.6 0.1 1 286 . 27 VAL HA H 4.34 0.02 1 287 . 27 VAL CB C 33.8 0.1 1 288 . 27 VAL HB H 1.91 0.02 1 289 . 27 VAL HG1 H 0.95 0.02 1 290 . 27 VAL HG2 H 1.08 0.02 1 291 . 27 VAL CG1 C 21.8 0.1 1 292 . 27 VAL CG2 C 21.3 0.1 1 293 . 27 VAL C C 175.5 0.1 1 294 . 28 LYS N N 127.4 0.1 1 295 . 28 LYS H H 8.80 0.02 1 296 . 28 LYS CA C 54.0 0.1 1 297 . 28 LYS HA H 4.93 0.02 1 298 . 28 LYS CB C 35.2 0.1 1 299 . 28 LYS HB2 H 1.59 0.02 2 300 . 28 LYS HB3 H 1.49 0.02 2 301 . 28 LYS CG C 25.3 0.1 1 302 . 28 LYS HG2 H 1.33 0.02 1 303 . 28 LYS HG3 H 1.30 0.02 1 304 . 28 LYS CD C 29.2 0.1 1 305 . 28 LYS HD2 H 1.67 0.02 1 306 . 28 LYS HD3 H 1.67 0.02 1 307 . 28 LYS CE C 42.2 0.1 1 308 . 28 LYS HE2 H 2.97 0.02 1 309 . 28 LYS HE3 H 2.97 0.02 1 310 . 28 LYS C C 176.2 0.1 1 311 . 29 CYS N N 125.8 0.1 1 312 . 29 CYS H H 9.42 0.02 1 313 . 29 CYS CA C 59.1 0.1 1 314 . 29 CYS HA H 4.46 0.02 1 315 . 29 CYS CB C 30.6 0.1 1 316 . 29 CYS HB2 H 2.98 0.02 2 317 . 29 CYS HB3 H 3.08 0.02 2 318 . 29 CYS C C 178.9 0.1 1 319 . 30 ILE N N 129.3 0.1 1 320 . 30 ILE H H 8.71 0.02 1 321 . 30 ILE CA C 63.4 0.1 1 322 . 30 ILE HA H 3.97 0.02 1 323 . 30 ILE CB C 38.8 0.1 1 324 . 30 ILE HB H 1.92 0.02 1 325 . 30 ILE HG2 H 0.99 0.02 1 326 . 30 ILE CG2 C 18.1 0.1 1 327 . 30 ILE CG1 C 27.6 0.1 1 328 . 30 ILE HG12 H 1.26 0.02 1 329 . 30 ILE HG13 H 1.36 0.02 1 330 . 30 ILE HD1 H 0.94 0.02 1 331 . 30 ILE CD1 C 14.2 0.1 1 332 . 30 ILE C C 175.3 0.1 1 333 . 31 ILE N N 123.8 0.1 1 334 . 31 ILE H H 8.90 0.02 1 335 . 31 ILE CA C 60.7 0.1 1 336 . 31 ILE HA H 4.10 0.02 1 337 . 31 ILE CB C 36.0 0.1 1 338 . 31 ILE HB H 2.49 0.02 1 339 . 31 ILE HG2 H 0.72 0.02 1 340 . 31 ILE CG2 C 16.9 0.1 1 341 . 31 ILE CG1 C 26.2 0.1 1 342 . 31 ILE HG12 H 0.69 0.02 1 343 . 31 ILE HG13 H 0.73 0.02 1 344 . 31 ILE HD1 H 0.37 0.02 1 345 . 31 ILE CD1 C 8.5 0.1 1 346 . 31 ILE C C 178.0 0.1 1 347 . 32 CYS N N 119.7 0.1 1 348 . 32 CYS H H 8.61 0.02 1 349 . 32 CYS CA C 59.3 0.1 1 350 . 32 CYS HA H 4.94 0.02 1 351 . 32 CYS CB C 32.5 0.1 1 352 . 32 CYS HB2 H 2.63 0.02 2 353 . 32 CYS HB3 H 3.25 0.02 2 354 . 32 CYS C C 177.4 0.1 1 355 . 33 GLY N N 112.0 0.1 1 356 . 33 GLY H H 7.78 0.02 1 357 . 33 GLY CA C 46.3 0.1 1 358 . 33 GLY HA2 H 3.80 0.02 1 359 . 33 GLY HA3 H 4.27 0.02 1 360 . 33 GLY C C 173.2 0.1 1 361 . 34 ARG N N 124.7 0.1 1 362 . 34 ARG H H 8.54 0.02 1 363 . 34 ARG CA C 56.5 0.1 1 364 . 34 ARG HA H 4.26 0.02 1 365 . 34 ARG CB C 30.7 0.1 1 366 . 34 ARG HB2 H 1.88 0.02 2 367 . 34 ARG HB3 H 2.01 0.02 2 368 . 34 ARG CG C 27.4 0.1 1 369 . 34 ARG HG2 H 1.64 0.02 1 370 . 34 ARG HG3 H 1.64 0.02 1 371 . 34 ARG CD C 44.0 0.1 1 372 . 34 ARG HD2 H 3.17 0.02 2 373 . 34 ARG HD3 H 3.31 0.02 2 374 . 34 ARG NE N 110.8 0.1 1 375 . 34 ARG HE H 7.24 0.02 1 376 . 34 ARG CZ C 156.6 0.1 1 377 . 34 ARG C C 176.6 0.1 1 378 . 35 THR N N 123.2 0.1 1 379 . 35 THR H H 9.08 0.02 1 380 . 35 THR CA C 65.4 0.1 1 381 . 35 THR HA H 4.16 0.02 1 382 . 35 THR CB C 68.9 0.1 1 383 . 35 THR HB H 4.14 0.02 1 384 . 35 THR HG2 H 1.18 0.02 1 385 . 35 THR CG2 C 23.1 0.1 1 386 . 35 THR C C 174.5 0.1 1 387 . 36 VAL N N 121.4 0.1 1 388 . 36 VAL H H 9.28 0.02 1 389 . 36 VAL CA C 61.3 0.1 1 390 . 36 VAL HA H 4.51 0.02 1 391 . 36 VAL CB C 33.2 0.1 1 392 . 36 VAL HB H 2.08 0.02 1 393 . 36 VAL HG1 H 0.90 0.02 1 394 . 36 VAL HG2 H 0.65 0.02 1 395 . 36 VAL CG1 C 21.6 0.1 1 396 . 36 VAL CG2 C 19.1 0.1 1 397 . 36 VAL C C 175.5 0.1 1 398 . 37 ALA N N 122.0 0.1 1 399 . 37 ALA H H 8.00 0.02 1 400 . 37 ALA CA C 52.5 0.1 1 401 . 37 ALA HA H 5.09 0.02 1 402 . 37 ALA HB H 1.25 0.02 1 403 . 37 ALA CB C 22.0 0.1 1 404 . 37 ALA C C 174.5 0.1 1 405 . 38 GLU N N 119.2 0.1 1 406 . 38 GLU H H 8.59 0.02 1 407 . 38 GLU CA C 52.5 0.1 1 408 . 38 GLU HA H 4.89 0.02 1 409 . 38 GLU CB C 31.9 0.1 1 410 . 38 GLU HB2 H 1.90 0.02 2 411 . 38 GLU HB3 H 2.12 0.02 2 412 . 38 GLU CG C 36.2 0.1 1 413 . 38 GLU HG2 H 2.13 0.02 2 414 . 38 GLU HG3 H 2.19 0.02 2 415 . 39 PRO CD C 50.5 0.1 1 416 . 39 PRO CA C 62.4 0.1 1 417 . 39 PRO HA H 4.60 0.02 1 418 . 39 PRO CB C 32.3 0.1 1 419 . 39 PRO HB2 H 1.85 0.02 2 420 . 39 PRO HB3 H 1.96 0.02 2 421 . 39 PRO CG C 27.2 0.1 1 422 . 39 PRO HG2 H 1.67 0.02 2 423 . 39 PRO HG3 H 2.02 0.02 2 424 . 39 PRO HD2 H 3.73 0.02 2 425 . 39 PRO HD3 H 3.32 0.02 2 426 . 39 PRO C C 177.1 0.1 1 427 . 40 THR N N 112.0 0.1 1 428 . 40 THR H H 8.66 0.02 1 429 . 40 THR CA C 61.1 0.1 1 430 . 40 THR HA H 4.50 0.02 1 431 . 40 THR CB C 71.5 0.1 1 432 . 40 THR HB H 4.32 0.02 1 433 . 40 THR HG2 H 1.15 0.02 1 434 . 40 THR CG2 C 21.0 0.1 1 435 . 40 THR C C 175.4 0.1 1 436 . 41 GLY N N 111.7 0.1 5 437 . 41 GLY H H 8.43 0.02 5 438 . 41 GLY CA C 45.6 0.1 5 439 . 41 GLY HA2 H 3.85 0.02 5 440 . 41 GLY HA3 H 4.18 0.02 5 441 . 41 GLY C C 174.3 0.1 5 442 . 42 GLY N N 109.9 0.1 5 443 . 42 GLY H H 8.13 0.02 5 444 . 42 GLY CA C 45.2 0.1 5 445 . 42 GLY HA2 H 3.71 0.02 5 446 . 42 GLY HA3 H 4.13 0.02 5 447 . 42 GLY C C 171.0 0.1 5 448 . 43 LYS N N 110.8 0.1 1 449 . 43 LYS H H 7.24 0.02 1 450 . 43 LYS CA C 56.6 0.1 1 451 . 43 LYS HA H 3.58 0.02 1 452 . 43 LYS CB C 32.5 0.1 1 453 . 43 LYS HB2 H 1.59 0.02 2 454 . 43 LYS HB3 H 1.72 0.02 2 455 . 43 LYS CG C 24.7 0.1 1 456 . 43 LYS HG2 H 1.33 0.02 2 457 . 43 LYS HG3 H 1.44 0.02 2 458 . 43 LYS CD C 29.4 0.1 1 459 . 43 LYS HD2 H 1.67 0.02 1 460 . 43 LYS HD3 H 1.67 0.02 1 461 . 43 LYS CE C 42.1 0.1 1 462 . 43 LYS HE2 H 3.01 0.02 1 463 . 43 LYS HE3 H 3.01 0.02 1 464 . 44 GLY N N 113.1 0.1 1 465 . 44 GLY H H 8.82 0.02 1 466 . 44 GLY CA C 45.9 0.1 1 467 . 44 GLY HA2 H 3.43 0.02 1 468 . 44 GLY HA3 H 4.10 0.02 1 469 . 44 GLY C C 172.5 0.1 1 470 . 45 ASN N N 119.2 0.1 1 471 . 45 ASN H H 8.45 0.02 1 472 . 45 ASN CA C 52.8 0.1 1 473 . 45 ASN HA H 4.79 0.02 1 474 . 45 ASN CB C 38.5 0.1 1 475 . 45 ASN HB2 H 2.67 0.02 1 476 . 45 ASN HB3 H 2.81 0.02 1 477 . 45 ASN ND2 N 112.1 0.1 1 478 . 45 ASN HD21 H 7.61 0.02 2 479 . 45 ASN HD22 H 6.88 0.02 2 480 . 45 ASN C C 174.8 0.1 1 481 . 46 ILE N N 124.2 0.1 1 482 . 46 ILE H H 8.48 0.02 1 483 . 46 ILE CA C 61.7 0.1 1 484 . 46 ILE HA H 4.13 0.02 1 485 . 46 ILE CB C 37.3 0.1 1 486 . 46 ILE HB H 2.02 0.02 1 487 . 46 ILE HG2 H 0.94 0.02 1 488 . 46 ILE CG2 C 18.0 0.1 1 489 . 46 ILE CG1 C 27.8 0.1 1 490 . 46 ILE HG12 H 1.09 0.02 1 491 . 46 ILE HG13 H 1.55 0.02 1 492 . 46 ILE HD1 H 0.78 0.02 1 493 . 46 ILE CD1 C 12.3 0.1 1 494 . 46 ILE C C 175.9 0.1 1 495 . 47 LYS N N 129.8 0.1 1 496 . 47 LYS H H 8.40 0.02 1 497 . 47 LYS CA C 54.3 0.1 1 498 . 47 LYS HA H 4.51 0.02 1 499 . 47 LYS CB C 31.7 0.1 1 500 . 47 LYS HB2 H 1.39 0.02 1 501 . 47 LYS HB3 H 1.96 0.02 1 502 . 47 LYS CG C 24.1 0.1 1 503 . 47 LYS HG2 H 1.23 0.02 1 504 . 47 LYS HG3 H 1.33 0.02 1 505 . 47 LYS CD C 28.4 0.1 1 506 . 47 LYS HD2 H 1.49 0.02 1 507 . 47 LYS HD3 H 1.49 0.02 1 508 . 47 LYS CE C 42.0 0.1 1 509 . 47 LYS HE2 H 2.87 0.02 1 510 . 47 LYS HE3 H 2.87 0.02 1 511 . 47 LYS C C 174.9 0.1 1 512 . 48 ALA N N 120.4 0.1 1 513 . 48 ALA H H 7.16 0.02 1 514 . 48 ALA CA C 50.7 0.1 1 515 . 48 ALA HA H 4.44 0.02 1 516 . 48 ALA HB H 1.33 0.02 1 517 . 48 ALA CB C 21.3 0.1 1 518 . 48 ALA C C 174.5 0.1 1 519 . 49 GLU N N 119.8 0.1 1 520 . 49 GLU H H 8.01 0.02 1 521 . 49 GLU CA C 56.3 0.1 1 522 . 49 GLU HA H 4.23 0.02 1 523 . 49 GLU CB C 30.9 0.1 1 524 . 49 GLU HB2 H 1.98 0.02 1 525 . 49 GLU HB3 H 1.98 0.02 1 526 . 49 GLU CG C 35.6 0.1 1 527 . 49 GLU HG2 H 2.04 0.02 1 528 . 49 GLU HG3 H 2.24 0.02 1 529 . 49 GLU C C 176.0 0.1 1 530 . 50 ILE N N 126.1 0.1 1 531 . 50 ILE H H 8.61 0.02 1 532 . 50 ILE CA C 62.6 0.1 1 533 . 50 ILE HA H 3.85 0.02 1 534 . 50 ILE CB C 38.7 0.1 1 535 . 50 ILE HB H 1.73 0.02 1 536 . 50 ILE HG2 H 0.49 0.02 1 537 . 50 ILE CG2 C 16.6 0.1 1 538 . 50 ILE CG1 C 28.6 0.1 1 539 . 50 ILE HG12 H 0.79 0.02 1 540 . 50 ILE HG13 H 1.70 0.02 1 541 . 50 ILE HD1 H 0.90 0.02 1 542 . 50 ILE CD1 C 13.4 0.1 1 543 . 50 ILE C C 176.1 0.1 1 544 . 51 ILE N N 128.4 0.1 1 545 . 51 ILE H H 9.02 0.02 1 546 . 51 ILE CA C 61.5 0.1 1 547 . 51 ILE HA H 4.13 0.02 1 548 . 51 ILE CB C 38.1 0.1 1 549 . 51 ILE HB H 1.60 0.02 1 550 . 51 ILE HG2 H 0.85 0.02 1 551 . 51 ILE CG2 C 17.3 0.1 1 552 . 51 ILE CG1 C 26.6 0.1 1 553 . 51 ILE HG12 H 1.14 0.02 2 554 . 51 ILE HG13 H 1.26 0.02 2 555 . 51 ILE HD1 H 0.63 0.02 1 556 . 51 ILE CD1 C 11.3 0.1 1 557 . 52 GLU N N 114.1 0.1 1 558 . 52 GLU H H 7.44 0.02 1 559 . 52 GLU CA C 55.3 0.1 1 560 . 52 GLU HA H 4.53 0.02 1 561 . 52 GLU CB C 31.9 0.1 1 562 . 52 GLU HB2 H 2.04 0.02 2 563 . 52 GLU HB3 H 2.20 0.02 2 564 . 52 GLU CG C 35.2 0.1 1 565 . 52 GLU HG2 H 2.05 0.02 1 566 . 52 GLU HG3 H 2.05 0.02 1 567 . 52 GLU C C 174.0 0.1 1 568 . 53 TYR N N 122.4 0.1 1 569 . 53 TYR H H 8.89 0.02 1 570 . 53 TYR CA C 59.3 0.1 1 571 . 53 TYR HA H 4.76 0.02 1 572 . 53 TYR CB C 39.3 0.1 1 573 . 53 TYR HB2 H 2.87 0.02 2 574 . 53 TYR HB3 H 3.02 0.02 2 575 . 53 TYR HD1 H 7.09 0.02 1 576 . 53 TYR HD2 H 7.09 0.02 1 577 . 53 TYR HE1 H 6.71 0.02 1 578 . 53 TYR HE2 H 6.71 0.02 1 579 . 53 TYR C C 175.9 0.1 1 580 . 54 VAL N N 120.1 0.1 1 581 . 54 VAL H H 8.33 0.02 1 582 . 54 VAL CA C 61.2 0.1 1 583 . 54 VAL HA H 4.36 0.02 1 584 . 54 VAL CB C 33.8 0.1 1 585 . 54 VAL HB H 2.04 0.02 1 586 . 54 VAL HG1 H 0.87 0.02 1 587 . 54 VAL HG2 H 0.82 0.02 1 588 . 54 VAL CG1 C 21.8 0.1 1 589 . 54 VAL CG2 C 20.8 0.1 1 590 . 54 VAL C C 175.4 0.1 1 591 . 55 ASP N N 124.3 0.1 1 592 . 55 ASP H H 8.65 0.02 1 593 . 55 ASP CA C 54.6 0.1 1 594 . 55 ASP HA H 4.79 0.02 1 595 . 55 ASP CB C 42.0 0.1 1 596 . 55 ASP HB2 H 2.67 0.02 2 597 . 55 ASP HB3 H 2.77 0.02 2 598 . 55 ASP C C 176.1 0.1 1 599 . 56 GLN N N 120.0 0.1 1 600 . 56 GLN H H 8.25 0.02 1 601 . 56 GLN CA C 56.1 0.1 1 602 . 56 GLN HA H 4.26 0.02 1 603 . 56 GLN CB C 29.8 0.1 1 604 . 56 GLN HB2 H 1.96 0.02 2 605 . 56 GLN HB3 H 2.04 0.02 2 606 . 56 GLN CG C 33.6 0.1 1 607 . 56 GLN HG2 H 2.25 0.02 1 608 . 56 GLN HG3 H 2.25 0.02 1 609 . 56 GLN NE2 N 112.0 0.1 1 610 . 56 GLN HE21 H 7.46 0.02 2 611 . 56 GLN HE22 H 6.80 0.02 2 612 . 56 GLN C C 175.6 0.1 1 613 . 57 ILE N N 121.0 0.1 1 614 . 57 ILE H H 8.09 0.02 1 615 . 57 ILE CA C 61.7 0.1 1 616 . 57 ILE HA H 4.02 0.02 1 617 . 57 ILE CB C 38.7 0.1 1 618 . 57 ILE HB H 1.72 0.02 1 619 . 57 ILE HG2 H 0.76 0.02 1 620 . 57 ILE CG2 C 17.5 0.1 1 621 . 57 ILE CG1 C 27.6 0.1 1 622 . 57 ILE HG12 H 1.04 0.02 1 623 . 57 ILE HG13 H 1.29 0.02 1 624 . 57 ILE HD1 H 0.73 0.02 1 625 . 57 ILE CD1 C 13.1 0.1 1 626 . 57 ILE C C 176.2 0.1 1 627 . 58 GLU N N 123.4 0.1 1 628 . 58 GLU H H 8.24 0.02 1 629 . 58 GLU CA C 56.7 0.1 1 630 . 58 GLU HA H 4.25 0.02 1 631 . 58 GLU CB C 30.1 0.1 1 632 . 58 GLU HB2 H 1.93 0.02 2 633 . 58 GLU HB3 H 2.02 0.02 2 634 . 58 GLU CG C 36.2 0.1 1 635 . 58 GLU HG2 H 2.22 0.02 1 636 . 58 GLU HG3 H 2.22 0.02 1 637 . 58 GLU C C 176.6 0.1 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 442 436 '443,437' '444,438' '445,439' '446,440' '447,441' stop_ save_ ######################## # Coupling constants # ######################## save_HNHA_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name '30S RIBOSOMAL PROTEIN S27E' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 4 ARG H 4 ARG HA 6.4 . . 2.5 2 3JHNHA 5 PHE H 5 PHE HA 9.3 . . 2.5 3 3JHNHA 8 VAL H 8 VAL HA 9.2 . . 2.5 4 3JHNHA 9 LYS H 9 LYS HA 8.8 . . 2.5 5 3JHNHA 10 CYS H 10 CYS HA 3.4 . . 2.5 6 3JHNHA 13 CYS H 13 CYS HA 8.5 . . 2.5 7 3JHNHA 14 GLU H 14 GLU HA 5.4 . . 2.0 8 3JHNHA 16 GLU H 16 GLU HA 7.4 . . 2.5 9 3JHNHA 18 VAL H 18 VAL HA 6.5 . . 2.5 10 3JHNHA 19 ILE H 19 ILE HA 9.3 . . 2.5 11 3JHNHA 20 PHE H 20 PHE HA 5.8 . . 2.5 12 3JHNHA 25 THR H 25 THR HA 7.4 . . 2.0 13 3JHNHA 26 ILE H 26 ILE HA 4.6 . . 2.0 14 3JHNHA 27 VAL H 27 VAL HA 9.7 . . 2.5 15 3JHNHA 28 LYS H 28 LYS HA 8.3 . . 2.0 16 3JHNHA 31 ILE H 31 ILE HA 9.3 . . 2.5 17 3JHNHA 32 CYS H 32 CYS HA 9.7 . . 2.5 18 3JHNHA 36 VAL H 36 VAL HA 9.5 . . 2.5 19 3JHNHA 37 ALA H 37 ALA HA 5.9 . . 2.0 20 3JHNHA 38 GLU H 38 GLU HA 8.8 . . 2.5 21 3JHNHA 46 ILE H 46 ILE HA 5.3 . . 2.5 22 3JHNHA 47 LYS H 47 LYS HA 8.2 . . 2.5 23 3JHNHA 48 ALA H 48 ALA HA 5.3 . . 2.5 24 3JHNHA 49 GLU H 49 GLU HA 4.4 . . 2.0 25 3JHNHA 50 ILE H 50 ILE HA 5.8 . . 2.5 26 3JHNHA 51 ILE H 51 ILE HA 8.2 . . 3.0 27 3JHNHA 53 TYR H 53 TYR HA 8.3 . . 2.5 28 3JHNHA 54 VAL H 54 VAL HA 8.1 . . 2.5 29 3JHNHA 56 GLN H 56 GLN HA 3.9 . . 2.0 30 3JHNHA 57 ILE H 57 ILE HA 6.3 . . 2.0 31 3JHNHA 58 GLU H 58 GLU HA 6.1 . . 2.0 32 3JHNHA 59 LEU H 59 LEU HA 6.2 . . 2.0 33 3JHNHA 60 GLU H 60 GLU HA 6.1 . . 2.0 stop_ save_