data_5620 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment for ribosomal protein S28E ; _BMRB_accession_number 5620 _BMRB_flat_file_name bmr5620.str _Entry_type original _Submission_date 2002-12-10 _Accession_date 2002-12-10 _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 Wu Bin . . 2 Yee Adelinda . . 3 Arrowsmith Cheryl . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 387 "13C chemical shifts" 281 "15N chemical shifts" 58 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-12-27 original author . stop_ _Original_release_date 2002-12-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of ribosomal protein S28E from Methanobacterium Thermoautotrophicum ; _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Bin . . 2 Yee Adelinda . . 3 Arrowsmith Cheryl . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'ribosomal protein S28E' stop_ save_ ################################## # Molecular system description # ################################## save_system_RS28_METTH _Saveframe_category molecular_system _Mol_system_name 'ribosomal protein S28E' _Abbreviation_common RS28_METTH _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mth0256 $mth0256 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' loop_ _Biological_function 'ribosomal protein S28E' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mth0256 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ribosomal protein S28E' _Abbreviation_common S28E _Molecular_mass 7666 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 68 _Mol_residue_sequence ; MDDATPAEVIEVLKRTGMTG EVMQVKCRILDGRDKGRILT RNVMGPIREGDILMLLDTIR EAKEIRTP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 ASP 4 ALA 5 THR 6 PRO 7 ALA 8 GLU 9 VAL 10 ILE 11 GLU 12 VAL 13 LEU 14 LYS 15 ARG 16 THR 17 GLY 18 MET 19 THR 20 GLY 21 GLU 22 VAL 23 MET 24 GLN 25 VAL 26 LYS 27 CYS 28 ARG 29 ILE 30 LEU 31 ASP 32 GLY 33 ARG 34 ASP 35 LYS 36 GLY 37 ARG 38 ILE 39 LEU 40 THR 41 ARG 42 ASN 43 VAL 44 MET 45 GLY 46 PRO 47 ILE 48 ARG 49 GLU 50 GLY 51 ASP 52 ILE 53 LEU 54 MET 55 LEU 56 LEU 57 ASP 58 THR 59 ILE 60 ARG 61 GLU 62 ALA 63 LYS 64 GLU 65 ILE 66 ARG 67 THR 68 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-12-28 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 1NE3 "Solution Structure Of Ribosomal Protein S28e From Methanobacterium Thermoautotrophicum. Ontario Centre For Structural Proteomic" 100.00 68 100.00 100.00 3.17e-38 DBJ BAM69468 "30S ribosomal protein S28e [Methanothermobacter thermautotrophicus CaT2]" 100.00 68 97.06 100.00 3.39e-37 GB AAB84762 "ribosomal protein S28 [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 68 100.00 100.00 3.17e-38 GB ADL58301 "30S ribosomal protein S28e [Methanothermobacter marburgensis str. Marburg]" 100.00 68 97.06 100.00 3.39e-37 REF NP_275399 "30S ribosomal protein S28 [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 68 100.00 100.00 3.17e-38 REF WP_010875895 "30S ribosomal protein S28e [Methanothermobacter thermautotrophicus]" 100.00 68 100.00 100.00 3.17e-38 REF WP_013295525 "30S ribosomal protein S28e [Methanothermobacter marburgensis]" 100.00 68 97.06 100.00 3.39e-37 REF YP_003849614 "30S ribosomal protein S28e [Methanothermobacter marburgensis str. Marburg]" 100.00 68 97.06 100.00 3.39e-37 SP O26356 "RecName: Full=30S ribosomal protein S28e [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 68 100.00 100.00 3.17e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mth0256 'Methanothermobacter thermoautotrophicus' 145262 Archaea Euryarchaeota Methanobacterium thermoautotrophicum stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $mth0256 'recombinant technology' 'E. coli' Escherichia coli 'BL21 (DE3)' plasmid PET15B 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 $mth0256 1 MM '[U-13C; U-15N]' NaCl 450 mM . Na2PO4 25 mM . stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task 'peak assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.95 loop_ _Task 'peak assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_13C-edited_NOESY_and_15N-edited_NOESY_were_calibrated_to_obtain_accurate_1 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY and 15N-edited NOESY were calibrated to obtain accurate' _Sample_label $sample_1 save_ save_peakposition_for_structure_calculation._2 _Saveframe_category NMR_applied_experiment _Experiment_name 'peakposition for structure calculation.' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__1_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__1_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__2_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__2_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__3_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__3_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__4_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__4_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__5_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__5_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__6_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__6_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__7_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__7_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__8_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__8_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__9_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__9_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__10_1 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__10_2 _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_set1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 na temperature 298 1 K 'ionic strength' 0.45 . M 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '13C-edited NOESY and 15N-edited NOESY were calibrated to obtain accurate' 'peakposition for structure calculation.' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_set1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name mth0256 _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 55.9 0.5 1 2 . 1 MET HA H 4.43 0.05 1 3 . 1 MET CB C 32.2 0.5 1 4 . 1 MET HB2 H 2.48 0.05 2 5 . 1 MET HB3 H 2.39 0.05 2 6 . 1 MET CG C 33.1 0.5 1 7 . 1 MET HG2 H 2.04 0.05 2 8 . 1 MET HG3 H 1.92 0.05 2 9 . 1 MET HE H 2.00 0.05 1 10 . 1 MET CE C 17.2 0.5 1 11 . 2 ASP H H 8.27 0.05 1 12 . 2 ASP CA C 55.5 0.5 1 13 . 2 ASP HA H 4.54 0.05 1 14 . 2 ASP CB C 41.5 0.5 1 15 . 2 ASP HB2 H 2.70 0.05 2 16 . 2 ASP HB3 H 2.59 0.05 2 17 . 2 ASP C C 176.1 0.5 1 18 . 3 ASP N N 118.8 0.5 1 19 . 3 ASP H H 8.26 0.05 1 20 . 3 ASP CA C 54.6 0.5 1 21 . 3 ASP HA H 4.63 0.05 1 22 . 3 ASP CB C 41.4 0.5 1 23 . 3 ASP HB2 H 2.75 0.05 2 24 . 3 ASP HB3 H 2.64 0.05 2 25 . 3 ASP C C 175.5 0.5 1 26 . 4 ALA N N 123.1 0.5 1 27 . 4 ALA H H 7.88 0.05 1 28 . 4 ALA CA C 52.0 0.5 1 29 . 4 ALA HA H 4.59 0.05 1 30 . 4 ALA HB H 1.22 0.05 1 31 . 4 ALA CB C 21.2 0.5 1 32 . 4 ALA C C 176.9 0.5 1 33 . 5 THR N N 119.0 0.5 1 34 . 5 THR H H 8.78 0.05 1 35 . 5 THR CA C 59.9 0.5 1 36 . 5 THR HA H 4.76 0.05 1 37 . 5 THR CB C 72.2 0.5 1 38 . 5 THR HB H 3.94 0.05 1 39 . 5 THR HG2 H 1.32 0.05 1 40 . 5 THR CG2 C 22.1 0.5 1 41 . 6 PRO CD C 50.5 0.5 1 42 . 6 PRO CA C 63.0 0.5 1 43 . 6 PRO HA H 4.83 0.05 1 44 . 6 PRO CB C 34.9 0.5 1 45 . 6 PRO HB2 H 2.42 0.05 2 46 . 6 PRO HB3 H 2.17 0.05 2 47 . 6 PRO CG C 25.3 0.5 1 48 . 6 PRO HG2 H 1.95 0.05 1 49 . 6 PRO HG3 H 1.95 0.05 1 50 . 6 PRO HD2 H 3.59 0.05 2 51 . 6 PRO HD3 H 3.52 0.05 2 52 . 6 PRO C C 176.6 0.5 1 53 . 7 ALA N N 124.5 0.5 1 54 . 7 ALA H H 9.18 0.05 1 55 . 7 ALA CA C 51.1 0.5 1 56 . 7 ALA HA H 5.10 0.05 1 57 . 7 ALA HB H 1.07 0.05 1 58 . 7 ALA CB C 23.4 0.5 1 59 . 7 ALA C C 174.6 0.5 1 60 . 8 GLU N N 122.0 0.5 1 61 . 8 GLU H H 8.73 0.05 1 62 . 8 GLU CA C 54.2 0.5 1 63 . 8 GLU HA H 4.98 0.05 1 64 . 8 GLU CB C 33.3 0.5 1 65 . 8 GLU HB2 H 1.94 0.05 1 66 . 8 GLU HB3 H 1.94 0.05 1 67 . 8 GLU CG C 36.1 0.5 1 68 . 8 GLU HG2 H 2.05 0.05 1 69 . 8 GLU HG3 H 2.05 0.05 1 70 . 8 GLU C C 177.1 0.5 1 71 . 9 VAL N N 126.9 0.5 1 72 . 9 VAL H H 9.34 0.05 1 73 . 9 VAL CA C 64.6 0.5 1 74 . 9 VAL HA H 3.94 0.05 1 75 . 9 VAL CB C 31.6 0.5 1 76 . 9 VAL HB H 2.31 0.05 1 77 . 9 VAL HG1 H 0.90 0.05 2 78 . 9 VAL HG2 H 0.71 0.05 2 79 . 9 VAL CG1 C 22.5 0.5 1 80 . 9 VAL CG2 C 22.2 0.5 1 81 . 9 VAL C C 176.9 0.5 1 82 . 10 ILE N N 125.6 0.5 1 83 . 10 ILE H H 9.17 0.05 1 84 . 10 ILE CA C 61.5 0.5 1 85 . 10 ILE HA H 4.63 0.05 1 86 . 10 ILE CB C 39.7 0.5 1 87 . 10 ILE HB H 2.00 0.05 1 88 . 10 ILE HG2 H 0.91 0.05 1 89 . 10 ILE CG2 C 18.2 0.5 1 90 . 10 ILE CG1 C 27.0 0.5 1 91 . 10 ILE HG12 H 1.29 0.05 2 92 . 10 ILE HG13 H 0.85 0.05 2 93 . 10 ILE HD1 H 0.83 0.05 1 94 . 10 ILE CD1 C 14.3 0.5 1 95 . 10 ILE C C 175.6 0.5 1 96 . 11 GLU N N 120.5 0.5 1 97 . 11 GLU H H 7.56 0.05 1 98 . 11 GLU CA C 56.8 0.5 1 99 . 11 GLU HA H 4.56 0.05 1 100 . 11 GLU CB C 34.4 0.5 1 101 . 11 GLU HB2 H 2.04 0.05 2 102 . 11 GLU HB3 H 1.78 0.05 2 103 . 11 GLU CG C 36.7 0.5 1 104 . 11 GLU HG2 H 2.28 0.05 2 105 . 11 GLU HG3 H 1.98 0.05 2 106 . 11 GLU C C 174.4 0.5 1 107 . 12 VAL N N 127.4 0.5 1 108 . 12 VAL H H 9.17 0.05 1 109 . 12 VAL CA C 62.6 0.5 1 110 . 12 VAL HA H 4.27 0.05 1 111 . 12 VAL CB C 32.8 0.5 1 112 . 12 VAL HB H 2.06 0.05 1 113 . 12 VAL HG1 H 0.85 0.05 2 114 . 12 VAL HG2 H 0.76 0.05 2 115 . 12 VAL CG1 C 22.0 0.5 1 116 . 12 VAL CG2 C 21.2 0.5 1 117 . 12 VAL C C 175.5 0.5 1 118 . 13 LEU N N 129.0 0.5 1 119 . 13 LEU H H 8.83 0.05 1 120 . 13 LEU CA C 55.8 0.5 1 121 . 13 LEU HA H 4.47 0.05 1 122 . 13 LEU CB C 42.8 0.5 1 123 . 13 LEU HB2 H 1.65 0.05 2 124 . 13 LEU HB3 H 1.56 0.05 2 125 . 13 LEU CG C 28.0 0.5 1 126 . 13 LEU HG H 1.50 0.05 1 127 . 13 LEU HD1 H 0.81 0.05 2 128 . 13 LEU HD2 H 0.79 0.05 2 129 . 13 LEU CD1 C 25.7 0.5 1 130 . 13 LEU CD2 C 23.9 0.5 1 131 . 13 LEU C C 176.8 0.5 1 132 . 14 LYS N N 119.6 0.5 1 133 . 14 LYS H H 8.07 0.05 1 134 . 14 LYS CA C 56.4 0.5 1 135 . 14 LYS HA H 4.52 0.05 1 136 . 14 LYS CB C 34.2 0.5 1 137 . 14 LYS HB2 H 1.89 0.05 2 138 . 14 LYS HB3 H 1.74 0.05 2 139 . 14 LYS CG C 25.0 0.5 1 140 . 14 LYS HG2 H 1.37 0.05 1 141 . 14 LYS HG3 H 1.37 0.05 1 142 . 14 LYS CD C 29.7 0.5 1 143 . 14 LYS HD2 H 1.67 0.05 1 144 . 14 LYS HD3 H 1.67 0.05 1 145 . 14 LYS CE C 42.3 0.5 1 146 . 14 LYS HE2 H 2.97 0.05 1 147 . 14 LYS HE3 H 2.97 0.05 1 148 . 14 LYS C C 175.7 0.5 1 149 . 15 ARG N N 123.4 0.5 1 150 . 15 ARG H H 8.55 0.05 1 151 . 15 ARG CA C 55.9 0.5 1 152 . 15 ARG HA H 4.46 0.05 1 153 . 15 ARG CB C 31.3 0.5 1 154 . 15 ARG HB2 H 1.84 0.05 2 155 . 15 ARG HB3 H 1.75 0.05 2 156 . 15 ARG CG C 27.6 0.5 1 157 . 15 ARG HG2 H 1.62 0.05 2 158 . 15 ARG HG3 H 1.58 0.05 2 159 . 15 ARG CD C 43.8 0.5 1 160 . 15 ARG HD2 H 3.19 0.05 1 161 . 15 ARG HD3 H 3.19 0.05 1 162 . 15 ARG C C 175.2 0.5 1 163 . 16 THR N N 116.0 0.5 1 164 . 16 THR H H 8.02 0.05 1 165 . 16 THR CA C 59.0 0.5 1 166 . 16 THR HA H 4.44 0.05 1 167 . 16 THR CB C 71.0 0.5 1 168 . 16 THR HB H 4.08 0.05 1 169 . 16 THR HG2 H 1.17 0.05 1 170 . 16 THR CG2 C 21.4 0.5 1 171 . 18 MET CA C 56.4 0.5 1 172 . 18 MET HA H 4.51 0.05 1 173 . 18 MET CB C 32.6 0.5 1 174 . 18 MET HB2 H 2.62 0.05 2 175 . 18 MET HB3 H 2.54 0.05 2 176 . 18 MET CG C 33.4 0.5 1 177 . 18 MET HG2 H 2.13 0.05 2 178 . 18 MET HG3 H 2.05 0.05 2 179 . 18 MET HE H 2.09 0.05 1 180 . 18 MET CE C 17.2 0.5 1 181 . 21 GLU CA C 57.0 0.5 1 182 . 21 GLU HA H 4.31 0.05 1 183 . 21 GLU CB C 30.5 0.5 1 184 . 21 GLU HB2 H 2.11 0.05 2 185 . 21 GLU HB3 H 1.93 0.05 2 186 . 21 GLU CG C 36.5 0.5 1 187 . 21 GLU HG2 H 2.25 0.05 2 188 . 21 GLU HG3 H 2.20 0.05 2 189 . 21 GLU C C 176.2 0.5 1 190 . 22 VAL N N 121.5 0.5 1 191 . 22 VAL H H 7.97 0.05 1 192 . 22 VAL CA C 62.9 0.5 1 193 . 22 VAL HA H 4.23 0.05 1 194 . 22 VAL CB C 32.6 0.5 1 195 . 22 VAL HB H 1.94 0.05 1 196 . 22 VAL HG1 H 0.90 0.05 2 197 . 22 VAL HG2 H 0.79 0.05 2 198 . 22 VAL CG1 C 21.8 0.5 1 199 . 22 VAL CG2 C 22.0 0.5 1 200 . 22 VAL C C 175.4 0.5 1 201 . 23 MET N N 125.4 0.5 1 202 . 23 MET H H 9.04 0.05 1 203 . 23 MET CA C 54.1 0.5 1 204 . 23 MET HA H 4.92 0.05 1 205 . 23 MET CB C 34.8 0.5 1 206 . 23 MET HB2 H 1.82 0.05 1 207 . 23 MET HB3 H 1.82 0.05 1 208 . 23 MET CG C 32.6 0.5 1 209 . 23 MET HG2 H 2.51 0.05 1 210 . 23 MET HG3 H 2.51 0.05 1 211 . 23 MET HE H 2.07 0.05 1 212 . 23 MET CE C 17.9 0.5 1 213 . 23 MET C C 174.5 0.5 1 214 . 24 GLN N N 122.7 0.5 1 215 . 24 GLN H H 8.78 0.05 1 216 . 24 GLN CA C 55.7 0.5 1 217 . 24 GLN HA H 5.21 0.05 1 218 . 24 GLN CB C 32.0 0.5 1 219 . 24 GLN HB2 H 2.00 0.05 2 220 . 24 GLN HB3 H 1.91 0.05 2 221 . 24 GLN CG C 35.4 0.5 1 222 . 24 GLN HG2 H 2.27 0.05 2 223 . 24 GLN HG3 H 2.02 0.05 2 224 . 24 GLN NE2 N 111.5 0.5 1 225 . 24 GLN HE21 H 7.59 0.05 2 226 . 24 GLN HE22 H 6.71 0.05 2 227 . 24 GLN C C 175.6 0.5 1 228 . 25 VAL N N 118.2 0.5 1 229 . 25 VAL H H 9.25 0.05 1 230 . 25 VAL CA C 58.5 0.5 1 231 . 25 VAL HA H 5.23 0.05 1 232 . 25 VAL CB C 35.4 0.5 1 233 . 25 VAL HB H 2.26 0.05 1 234 . 25 VAL HG1 H 0.85 0.05 2 235 . 25 VAL HG2 H 0.70 0.05 2 236 . 25 VAL CG1 C 23.5 0.5 1 237 . 25 VAL CG2 C 19.6 0.5 1 238 . 25 VAL C C 174.7 0.5 1 239 . 26 LYS N N 120.1 0.5 1 240 . 26 LYS H H 8.70 0.05 1 241 . 26 LYS CA C 55.1 0.5 1 242 . 26 LYS HA H 5.33 0.05 1 243 . 26 LYS CB C 35.2 0.5 1 244 . 26 LYS HB2 H 1.64 0.05 2 245 . 26 LYS HB3 H 1.58 0.05 2 246 . 26 LYS CG C 25.7 0.5 1 247 . 26 LYS HG2 H 1.44 0.05 2 248 . 26 LYS HG3 H 1.35 0.05 2 249 . 26 LYS CD C 29.6 0.5 1 250 . 26 LYS HD2 H 1.60 0.05 1 251 . 26 LYS HD3 H 1.60 0.05 1 252 . 26 LYS CE C 42.3 0.5 1 253 . 26 LYS HE2 H 2.82 0.05 1 254 . 26 LYS HE3 H 2.82 0.05 1 255 . 26 LYS C C 176.9 0.5 1 256 . 27 CYS N N 121.1 0.5 1 257 . 27 CYS H H 9.59 0.05 1 258 . 27 CYS CA C 55.2 0.5 1 259 . 27 CYS HA H 5.70 0.05 1 260 . 27 CYS CB C 32.2 0.5 1 261 . 27 CYS HB2 H 2.44 0.05 1 262 . 27 CYS HB3 H 2.44 0.05 1 263 . 27 CYS C C 171.3 0.5 1 264 . 28 ARG N N 123.0 0.5 1 265 . 28 ARG H H 9.22 0.05 1 266 . 28 ARG CA C 54.0 0.5 1 267 . 28 ARG HA H 5.22 0.05 1 268 . 28 ARG CB C 34.1 0.5 1 269 . 28 ARG HB2 H 1.85 0.05 2 270 . 28 ARG HB3 H 1.44 0.05 2 271 . 28 ARG CG C 27.4 0.5 1 272 . 28 ARG HG2 H 1.37 0.05 1 273 . 28 ARG HG3 H 1.37 0.05 1 274 . 28 ARG CD C 43.8 0.5 1 275 . 28 ARG HD2 H 3.24 0.05 2 276 . 28 ARG HD3 H 3.19 0.05 2 277 . 28 ARG C C 175.9 0.5 1 278 . 29 ILE N N 128.5 0.5 1 279 . 29 ILE H H 8.90 0.05 1 280 . 29 ILE CA C 63.3 0.5 1 281 . 29 ILE HA H 3.92 0.05 1 282 . 29 ILE CB C 36.7 0.5 1 283 . 29 ILE HB H 2.07 0.05 1 284 . 29 ILE HG2 H 0.99 0.05 1 285 . 29 ILE CG2 C 19.4 0.5 1 286 . 29 ILE CG1 C 28.7 0.5 1 287 . 29 ILE HG12 H 1.57 0.05 2 288 . 29 ILE HG13 H 1.12 0.05 2 289 . 29 ILE HD1 H 0.84 0.05 1 290 . 29 ILE CD1 C 12.8 0.5 1 291 . 29 ILE C C 178.7 0.5 1 292 . 30 LEU N N 128.0 0.5 1 293 . 30 LEU H H 8.72 0.05 1 294 . 30 LEU CA C 56.3 0.5 1 295 . 30 LEU HA H 4.37 0.05 1 296 . 30 LEU CB C 44.3 0.5 1 297 . 30 LEU HB2 H 1.61 0.05 2 298 . 30 LEU HB3 H 1.55 0.05 2 299 . 30 LEU CG C 27.0 0.5 1 300 . 30 LEU HG H 1.76 0.05 1 301 . 30 LEU HD1 H 0.85 0.05 2 302 . 30 LEU HD2 H 0.88 0.05 2 303 . 30 LEU CD1 C 26.3 0.5 1 304 . 30 LEU CD2 C 22.9 0.5 1 305 . 30 LEU C C 176.3 0.5 1 306 . 31 ASP N N 116.5 0.5 1 307 . 31 ASP H H 7.48 0.05 1 308 . 31 ASP CA C 53.3 0.5 1 309 . 31 ASP HA H 4.88 0.05 1 310 . 31 ASP CB C 45.5 0.5 1 311 . 31 ASP HB2 H 2.57 0.05 1 312 . 31 ASP HB3 H 2.57 0.05 1 313 . 31 ASP C C 174.8 0.5 1 314 . 32 GLY N N 106.3 0.5 1 315 . 32 GLY H H 8.51 0.05 1 316 . 32 GLY CA C 44.9 0.5 1 317 . 32 GLY HA2 H 4.37 0.05 2 318 . 32 GLY HA3 H 3.86 0.05 2 319 . 33 ARG CA C 58.9 0.5 1 320 . 33 ARG HA H 4.02 0.05 1 321 . 33 ARG CB C 30.4 0.5 1 322 . 33 ARG HB2 H 1.87 0.05 2 323 . 33 ARG HB3 H 1.76 0.05 2 324 . 33 ARG CG C 26.8 0.5 1 325 . 33 ARG HG2 H 1.64 0.05 1 326 . 33 ARG HG3 H 1.64 0.05 1 327 . 33 ARG CD C 43.6 0.5 1 328 . 33 ARG HD2 H 3.18 0.05 1 329 . 33 ARG HD3 H 3.18 0.05 1 330 . 33 ARG C C 177.6 0.5 1 331 . 34 ASP N N 118.5 0.5 1 332 . 34 ASP H H 9.14 0.05 1 333 . 34 ASP CA C 53.9 0.5 1 334 . 34 ASP HA H 4.92 0.05 1 335 . 34 ASP CB C 41.4 0.5 1 336 . 34 ASP HB2 H 2.90 0.05 2 337 . 34 ASP HB3 H 2.64 0.05 2 338 . 34 ASP C C 174.4 0.5 1 339 . 35 LYS N N 119.3 0.5 1 340 . 35 LYS H H 7.14 0.05 1 341 . 35 LYS CA C 59.3 0.5 1 342 . 35 LYS HA H 3.34 0.05 1 343 . 35 LYS CB C 32.6 0.5 1 344 . 35 LYS HB2 H 1.72 0.05 2 345 . 35 LYS HB3 H 1.66 0.05 2 346 . 35 LYS CG C 24.8 0.5 1 347 . 35 LYS HG2 H 1.24 0.05 2 348 . 35 LYS HG3 H 1.14 0.05 2 349 . 35 LYS CD C 30.4 0.5 1 350 . 35 LYS HD2 H 1.73 0.05 1 351 . 35 LYS HD3 H 1.73 0.05 1 352 . 35 LYS CE C 42.3 0.5 1 353 . 35 LYS HE2 H 3.02 0.05 1 354 . 35 LYS HE3 H 3.02 0.05 1 355 . 35 LYS C C 177.3 0.5 1 356 . 36 GLY N N 115.5 0.5 1 357 . 36 GLY H H 8.95 0.05 1 358 . 36 GLY CA C 45.1 0.5 1 359 . 36 GLY HA2 H 4.47 0.05 2 360 . 36 GLY HA3 H 3.45 0.05 2 361 . 36 GLY C C 174.2 0.5 1 362 . 37 ARG N N 122.6 0.5 1 363 . 37 ARG H H 8.30 0.05 1 364 . 37 ARG CA C 57.4 0.5 1 365 . 37 ARG HA H 4.21 0.05 1 366 . 37 ARG CB C 31.2 0.5 1 367 . 37 ARG HB2 H 1.95 0.05 2 368 . 37 ARG HB3 H 1.82 0.05 2 369 . 37 ARG CG C 28.0 0.5 1 370 . 37 ARG HG2 H 1.73 0.05 2 371 . 37 ARG HG3 H 1.51 0.05 2 372 . 37 ARG CD C 44.0 0.5 1 373 . 37 ARG HD2 H 3.18 0.05 2 374 . 37 ARG HD3 H 3.13 0.05 2 375 . 37 ARG C C 175.0 0.5 1 376 . 38 ILE N N 123.9 0.5 1 377 . 38 ILE H H 8.34 0.05 1 378 . 38 ILE CA C 59.2 0.5 1 379 . 38 ILE HA H 5.17 0.05 1 380 . 38 ILE CB C 38.5 0.5 1 381 . 38 ILE HB H 1.80 0.05 1 382 . 38 ILE HG2 H 0.83 0.05 1 383 . 38 ILE CG2 C 18.1 0.5 1 384 . 38 ILE CG1 C 27.8 0.5 1 385 . 38 ILE HG12 H 1.65 0.05 2 386 . 38 ILE HG13 H 1.10 0.05 2 387 . 38 ILE HD1 H 0.82 0.05 1 388 . 38 ILE CD1 C 12.6 0.5 1 389 . 38 ILE C C 176.3 0.5 1 390 . 39 LEU N N 127.7 0.5 1 391 . 39 LEU H H 9.03 0.05 1 392 . 39 LEU CA C 53.7 0.5 1 393 . 39 LEU HA H 4.88 0.05 1 394 . 39 LEU CB C 45.6 0.5 1 395 . 39 LEU HB2 H 1.49 0.05 1 396 . 39 LEU HB3 H 1.49 0.05 1 397 . 39 LEU CG C 27.4 0.5 1 398 . 39 LEU HG H 1.47 0.05 1 399 . 39 LEU HD1 H 0.73 0.05 2 400 . 39 LEU HD2 H 0.80 0.05 2 401 . 39 LEU CD1 C 26.3 0.5 1 402 . 39 LEU CD2 C 24.6 0.5 1 403 . 39 LEU C C 175.9 0.5 1 404 . 40 THR N N 117.8 0.5 1 405 . 40 THR H H 8.60 0.05 1 406 . 40 THR CA C 61.8 0.5 1 407 . 40 THR HA H 5.42 0.05 1 408 . 40 THR CB C 69.9 0.5 1 409 . 40 THR HB H 3.94 0.05 1 410 . 40 THR HG2 H 1.05 0.05 1 411 . 40 THR CG2 C 21.8 0.5 1 412 . 40 THR C C 175.2 0.5 1 413 . 41 ARG N N 125.6 0.5 1 414 . 41 ARG H H 9.07 0.05 1 415 . 41 ARG HA H 4.77 0.05 1 416 . 41 ARG HB2 H 1.75 0.05 1 417 . 41 ARG HB3 H 1.75 0.05 1 418 . 41 ARG HG2 H 1.35 0.05 1 419 . 41 ARG HG3 H 1.35 0.05 1 420 . 41 ARG CD C 43.8 0.5 1 421 . 41 ARG HD2 H 3.19 0.05 1 422 . 41 ARG HD3 H 3.19 0.05 1 423 . 41 ARG C C 173.9 0.5 1 424 . 42 ASN N N 121.2 0.5 1 425 . 42 ASN H H 8.75 0.05 1 426 . 42 ASN CA C 52.4 0.5 1 427 . 42 ASN HA H 5.66 0.05 1 428 . 42 ASN CB C 39.5 0.5 1 429 . 42 ASN HB2 H 2.74 0.05 2 430 . 42 ASN HB3 H 2.35 0.05 2 431 . 42 ASN ND2 N 112.2 0.5 1 432 . 42 ASN HD21 H 7.38 0.05 2 433 . 42 ASN HD22 H 6.82 0.05 2 434 . 42 ASN C C 175.3 0.5 1 435 . 43 VAL N N 119.3 0.5 1 436 . 43 VAL H H 9.17 0.05 1 437 . 43 VAL CA C 59.4 0.5 1 438 . 43 VAL HA H 4.66 0.05 1 439 . 43 VAL CB C 36.1 0.5 1 440 . 43 VAL HB H 2.06 0.05 1 441 . 43 VAL HG1 H 0.76 0.05 2 442 . 43 VAL HG2 H 0.71 0.05 2 443 . 43 VAL CG1 C 22.0 0.5 1 444 . 43 VAL CG2 C 20.3 0.5 1 445 . 43 VAL C C 174.0 0.5 1 446 . 44 MET N N 122.5 0.5 1 447 . 44 MET H H 8.52 0.05 1 448 . 44 MET CA C 55.5 0.5 1 449 . 44 MET HA H 4.67 0.05 1 450 . 44 MET CB C 32.4 0.5 1 451 . 44 MET HB2 H 2.75 0.05 2 452 . 44 MET HB3 H 2.67 0.05 2 453 . 44 MET CG C 32.2 0.5 1 454 . 44 MET HG2 H 2.03 0.05 2 455 . 44 MET HG3 H 2.00 0.05 2 456 . 44 MET C C 176.7 0.5 1 457 . 45 GLY N N 110.9 0.5 1 458 . 45 GLY H H 8.45 0.05 1 459 . 45 GLY CA C 44.4 0.5 1 460 . 45 GLY HA2 H 3.95 0.05 2 461 . 45 GLY HA3 H 3.84 0.05 2 462 . 46 PRO CD C 50.7 0.5 1 463 . 46 PRO CA C 62.6 0.5 1 464 . 46 PRO HA H 4.55 0.05 1 465 . 46 PRO CB C 35.0 0.5 1 466 . 46 PRO HB2 H 2.37 0.05 2 467 . 46 PRO HB3 H 2.04 0.05 2 468 . 46 PRO CG C 25.3 0.5 1 469 . 46 PRO HG2 H 1.95 0.05 1 470 . 46 PRO HG3 H 1.95 0.05 1 471 . 46 PRO HD2 H 3.56 0.05 1 472 . 46 PRO HD3 H 3.56 0.05 1 473 . 46 PRO C C 175.5 0.5 1 474 . 47 ILE N N 122.2 0.5 1 475 . 47 ILE H H 8.14 0.05 1 476 . 47 ILE CA C 59.0 0.5 1 477 . 47 ILE HA H 4.60 0.05 1 478 . 47 ILE CB C 42.5 0.5 1 479 . 47 ILE HB H 1.74 0.05 1 480 . 47 ILE HG2 H 0.76 0.05 1 481 . 47 ILE CG2 C 18.8 0.5 1 482 . 47 ILE CG1 C 29.6 0.5 1 483 . 47 ILE HG12 H 1.58 0.05 2 484 . 47 ILE HG13 H 1.18 0.05 2 485 . 47 ILE HD1 H 0.95 0.05 1 486 . 47 ILE CD1 C 15.1 0.5 1 487 . 47 ILE C C 171.8 0.5 1 488 . 48 ARG N N 124.6 0.5 1 489 . 48 ARG H H 8.68 0.05 1 490 . 48 ARG CA C 54.4 0.5 1 491 . 48 ARG HA H 4.57 0.05 1 492 . 48 ARG CB C 34.1 0.5 1 493 . 48 ARG HB2 H 1.83 0.05 2 494 . 48 ARG HB3 H 1.70 0.05 2 495 . 48 ARG CG C 26.7 0.5 1 496 . 48 ARG HG2 H 1.70 0.05 2 497 . 48 ARG HG3 H 1.52 0.05 2 498 . 48 ARG CD C 43.8 0.5 1 499 . 48 ARG HD2 H 3.18 0.05 1 500 . 48 ARG HD3 H 3.18 0.05 1 501 . 48 ARG C C 175.2 0.5 1 502 . 49 GLU N N 120.9 0.5 1 503 . 49 GLU H H 9.09 0.05 1 504 . 49 GLU CA C 59.4 0.5 1 505 . 49 GLU HA H 3.59 0.05 1 506 . 49 GLU CB C 28.9 0.5 1 507 . 49 GLU HB2 H 1.93 0.05 2 508 . 49 GLU HB3 H 1.87 0.05 2 509 . 49 GLU CG C 37.2 0.5 1 510 . 49 GLU HG2 H 2.29 0.05 2 511 . 49 GLU HG3 H 2.10 0.05 2 512 . 49 GLU C C 177.4 0.5 1 513 . 50 GLY N N 114.2 0.5 1 514 . 50 GLY H H 9.20 0.05 1 515 . 50 GLY CA C 45.1 0.5 1 516 . 50 GLY HA2 H 4.46 0.05 2 517 . 50 GLY HA3 H 3.75 0.05 2 518 . 50 GLY C C 174.8 0.5 1 519 . 51 ASP N N 121.7 0.5 1 520 . 51 ASP H H 7.94 0.05 1 521 . 51 ASP CA C 55.5 0.5 1 522 . 51 ASP HA H 4.63 0.05 1 523 . 51 ASP CB C 41.6 0.5 1 524 . 51 ASP HB2 H 2.85 0.05 2 525 . 51 ASP HB3 H 2.55 0.05 2 526 . 51 ASP C C 174.8 0.5 1 527 . 52 ILE N N 119.9 0.5 1 528 . 52 ILE H H 8.41 0.05 1 529 . 52 ILE CA C 59.2 0.5 1 530 . 52 ILE HA H 4.85 0.05 1 531 . 52 ILE CB C 38.4 0.5 1 532 . 52 ILE HB H 1.81 0.05 1 533 . 52 ILE HG2 H 0.74 0.05 1 534 . 52 ILE CG2 C 17.9 0.5 1 535 . 52 ILE CG1 C 27.8 0.5 1 536 . 52 ILE HG12 H 1.51 0.05 2 537 . 52 ILE HG13 H 1.26 0.05 2 538 . 52 ILE HD1 H 0.75 0.05 1 539 . 52 ILE CD1 C 11.5 0.5 1 540 . 52 ILE C C 176.3 0.5 1 541 . 53 LEU N N 128.1 0.5 1 542 . 53 LEU H H 9.29 0.05 1 543 . 53 LEU CA C 53.1 0.5 1 544 . 53 LEU HA H 4.66 0.05 1 545 . 53 LEU CB C 45.3 0.5 1 546 . 53 LEU HB2 H 1.47 0.05 2 547 . 53 LEU HB3 H 1.40 0.05 2 548 . 53 LEU CG C 27.4 0.5 1 549 . 53 LEU HG H 1.47 0.05 1 550 . 53 LEU HD1 H 0.68 0.05 2 551 . 53 LEU HD2 H 0.76 0.05 2 552 . 53 LEU CD1 C 26.5 0.5 1 553 . 53 LEU CD2 C 24.2 0.5 1 554 . 53 LEU C C 175.4 0.5 1 555 . 54 MET N N 120.0 0.5 1 556 . 54 MET H H 8.44 0.05 1 557 . 54 MET CA C 52.9 0.5 1 558 . 54 MET HA H 4.86 0.05 1 559 . 54 MET CB C 31.6 0.5 1 560 . 54 MET HB2 H 1.97 0.05 2 561 . 54 MET HB3 H 1.86 0.05 2 562 . 54 MET CG C 32.4 0.5 1 563 . 54 MET HG2 H 2.54 0.05 2 564 . 54 MET HG3 H 2.37 0.05 2 565 . 54 MET HE H 1.87 0.05 1 566 . 54 MET CE C 17.2 0.5 1 567 . 54 MET C C 175.8 0.5 1 568 . 55 LEU N N 124.7 0.5 1 569 . 55 LEU H H 8.88 0.05 1 570 . 55 LEU CA C 54.6 0.5 1 571 . 55 LEU HA H 4.48 0.05 1 572 . 55 LEU CB C 42.7 0.5 1 573 . 55 LEU HB2 H 1.82 0.05 2 574 . 55 LEU HB3 H 1.40 0.05 2 575 . 55 LEU CG C 26.8 0.5 1 576 . 55 LEU HG H 1.65 0.05 1 577 . 55 LEU HD1 H 0.68 0.05 2 578 . 55 LEU HD2 H 0.69 0.05 2 579 . 55 LEU CD1 C 26.8 0.5 1 580 . 55 LEU CD2 C 23.3 0.5 1 581 . 56 LEU CA C 54.9 0.5 1 582 . 56 LEU HA H 4.54 0.05 1 583 . 56 LEU CB C 43.2 0.5 1 584 . 56 LEU HB2 H 1.62 0.05 1 585 . 56 LEU HB3 H 1.62 0.05 1 586 . 56 LEU CG C 27.8 0.5 1 587 . 56 LEU HG H 1.63 0.05 1 588 . 56 LEU HD1 H 0.87 0.05 2 589 . 56 LEU HD2 H 0.81 0.05 2 590 . 56 LEU CD1 C 25.2 0.5 1 591 . 56 LEU CD2 C 24.0 0.5 1 592 . 56 LEU C C 176.9 0.5 1 593 . 57 ASP N N 120.8 0.5 1 594 . 57 ASP H H 8.40 0.05 1 595 . 57 ASP CA C 55.1 0.5 1 596 . 57 ASP HA H 4.54 0.05 1 597 . 57 ASP HB2 H 2.71 0.05 2 598 . 57 ASP HB3 H 2.62 0.05 2 599 . 57 ASP C C 176.5 0.5 1 600 . 58 THR N N 113.1 0.5 1 601 . 58 THR H H 8.19 0.05 1 602 . 58 THR CA C 62.1 0.5 1 603 . 58 THR HA H 4.29 0.05 1 604 . 58 THR CB C 69.4 0.5 1 605 . 58 THR HB H 4.27 0.05 1 606 . 58 THR HG2 H 1.14 0.05 1 607 . 58 THR CG2 C 21.9 0.5 1 608 . 58 THR C C 174.6 0.5 1 609 . 59 ILE N N 122.5 0.5 1 610 . 59 ILE H H 8.17 0.05 1 611 . 59 ILE CA C 61.8 0.5 1 612 . 59 ILE HA H 4.15 0.05 1 613 . 59 ILE CB C 38.9 0.5 1 614 . 59 ILE HB H 1.88 0.05 1 615 . 59 ILE HG2 H 0.88 0.05 1 616 . 59 ILE CG2 C 17.9 0.5 1 617 . 59 ILE CG1 C 28.0 0.5 1 618 . 59 ILE HG12 H 1.47 0.05 2 619 . 59 ILE HG13 H 1.17 0.05 2 620 . 59 ILE HD1 H 0.83 0.05 1 621 . 59 ILE CD1 C 13.2 0.5 1 622 . 59 ILE C C 176.5 0.5 1 623 . 60 ARG N N 124.8 0.5 1 624 . 60 ARG H H 8.39 0.05 1 625 . 60 ARG CA C 56.7 0.5 1 626 . 60 ARG HA H 4.30 0.05 1 627 . 60 ARG CB C 30.9 0.5 1 628 . 60 ARG HB2 H 1.87 0.05 2 629 . 60 ARG HB3 H 1.74 0.05 2 630 . 60 ARG CG C 27.4 0.5 1 631 . 60 ARG HG2 H 1.59 0.05 1 632 . 60 ARG HG3 H 1.59 0.05 1 633 . 60 ARG CD C 43.6 0.5 1 634 . 60 ARG HD2 H 3.16 0.05 1 635 . 60 ARG HD3 H 3.16 0.05 1 636 . 60 ARG C C 176.5 0.5 1 637 . 61 GLU N N 122.1 0.5 1 638 . 61 GLU H H 8.39 0.05 1 639 . 61 GLU CA C 57.2 0.5 1 640 . 61 GLU HA H 4.34 0.05 1 641 . 61 GLU CB C 31.2 0.5 1 642 . 61 GLU HB2 H 1.78 0.05 1 643 . 61 GLU HB3 H 1.78 0.05 1 644 . 61 GLU CG C 36.6 0.5 1 645 . 61 GLU HG2 H 2.26 0.05 1 646 . 61 GLU HG3 H 2.26 0.05 1 647 . 61 GLU C C 176.2 0.5 1 648 . 62 ALA N N 125.6 0.5 1 649 . 62 ALA H H 8.34 0.05 1 650 . 62 ALA CA C 52.7 0.5 1 651 . 62 ALA HA H 4.32 0.05 1 652 . 62 ALA HB H 1.38 0.05 1 653 . 62 ALA CB C 19.4 0.5 1 654 . 62 ALA C C 177.8 0.5 1 655 . 63 LYS N N 120.6 0.5 1 656 . 63 LYS H H 8.26 0.05 1 657 . 63 LYS CA C 56.6 0.5 1 658 . 63 LYS HA H 4.29 0.05 1 659 . 63 LYS CB C 33.5 0.5 1 660 . 63 LYS HB2 H 1.82 0.05 2 661 . 63 LYS HB3 H 1.76 0.05 2 662 . 63 LYS CG C 25.2 0.5 1 663 . 63 LYS HG2 H 1.43 0.05 1 664 . 63 LYS HG3 H 1.43 0.05 1 665 . 63 LYS CD C 29.3 0.5 1 666 . 63 LYS HD2 H 1.68 0.05 1 667 . 63 LYS HD3 H 1.68 0.05 1 668 . 63 LYS CE C 42.5 0.5 1 669 . 63 LYS HE2 H 2.99 0.05 1 670 . 63 LYS HE3 H 2.99 0.05 1 671 . 63 LYS C C 176.6 0.5 1 672 . 64 GLU N N 121.9 0.5 1 673 . 64 GLU H H 8.38 0.05 1 674 . 64 GLU CA C 57.2 0.5 1 675 . 64 GLU HA H 4.36 0.05 1 676 . 64 GLU CB C 31.2 0.5 1 677 . 64 GLU HB2 H 1.92 0.05 1 678 . 64 GLU HB3 H 1.92 0.05 1 679 . 64 GLU CG C 36.4 0.5 1 680 . 64 GLU C C 176.4 0.5 1 681 . 65 ILE N N 122.9 0.5 1 682 . 65 ILE H H 8.24 0.05 1 683 . 65 ILE CA C 61.3 0.5 1 684 . 65 ILE HA H 4.18 0.05 1 685 . 65 ILE CB C 38.7 0.5 1 686 . 65 ILE HB H 1.86 0.05 1 687 . 65 ILE HG2 H 0.88 0.05 1 688 . 65 ILE CG2 C 17.7 0.5 1 689 . 65 ILE CG1 C 27.6 0.5 1 690 . 65 ILE HG12 H 1.47 0.05 2 691 . 65 ILE HG13 H 1.17 0.05 2 692 . 65 ILE HD1 H 0.85 0.05 1 693 . 65 ILE CD1 C 13.2 0.5 1 694 . 65 ILE C C 176.3 0.5 1 695 . 66 ARG N N 125.8 0.5 1 696 . 66 ARG H H 8.45 0.05 1 697 . 66 ARG CA C 56.5 0.5 1 698 . 66 ARG HA H 4.37 0.05 1 699 . 66 ARG CB C 31.1 0.5 1 700 . 66 ARG HB2 H 1.92 0.05 2 701 . 66 ARG HB3 H 1.78 0.05 2 702 . 66 ARG CG C 27.4 0.5 1 703 . 66 ARG HG2 H 1.69 0.05 1 704 . 66 ARG HG3 H 1.69 0.05 1 705 . 66 ARG CD C 43.6 0.5 1 706 . 66 ARG HD2 H 3.21 0.05 1 707 . 66 ARG HD3 H 3.21 0.05 1 708 . 67 THR N N 119.058 0.5 1 709 . 67 THR H H 8.23 0.05 1 710 . 67 THR CA C 60.1 0.5 1 711 . 67 THR HA H 4.59 0.05 1 712 . 67 THR CB C 69.9 0.5 1 713 . 67 THR HB H 4.15 0.05 1 714 . 67 THR HG2 H 1.25 0.05 1 715 . 67 THR CG2 C 21.8 0.5 1 716 . 68 PRO CD C 51.4 0.5 1 717 . 68 PRO CA C 63.5 0.5 1 718 . 68 PRO HA H 4.44 0.05 1 719 . 68 PRO CB C 32.4 0.5 1 720 . 68 PRO HB2 H 2.32 0.05 2 721 . 68 PRO HB3 H 1.94 0.05 2 722 . 68 PRO CG C 27.8 0.5 1 723 . 68 PRO HG2 H 2.06 0.05 2 724 . 68 PRO HG3 H 1.98 0.05 2 725 . 68 PRO HD2 H 3.85 0.05 2 726 . 68 PRO HD3 H 3.72 0.05 2 stop_ save_