data_15990 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the Core Binding Domain of sigma54 ; _BMRB_accession_number 15990 _BMRB_flat_file_name bmr15990.str _Entry_type original _Submission_date 2008-10-19 _Accession_date 2008-10-19 _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 Hong Eunmi . . 2 Wemmer 'David E.' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 466 "13C chemical shifts" 254 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-06-17 update BMRB 'complete entry citation' 2009-05-29 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the RNA Polymerase Core-Binding Domain of sigma(54) Reveals a Likely Conformational Fracture Point.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19426742 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hong Eunmi . . 2 Doucleff Michaeleen . . 3 Wemmer David E. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 390 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 70 _Page_last 82 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RNAP monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'subunit 1' $RNAP 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_RNAP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RNAP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; KETVPYQIPYTPSELEELQQ NIKLELEGKEQELALELLNY LNEKGFLSKSVEEISDVLRC SVEELEKVRQKVLRLE ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 GLU 3 THR 4 VAL 5 PRO 6 TYR 7 GLN 8 ILE 9 PRO 10 TYR 11 THR 12 PRO 13 SER 14 GLU 15 LEU 16 GLU 17 GLU 18 LEU 19 GLN 20 GLN 21 ASN 22 ILE 23 LYS 24 LEU 25 GLU 26 LEU 27 GLU 28 GLY 29 LYS 30 GLU 31 GLN 32 GLU 33 LEU 34 ALA 35 LEU 36 GLU 37 LEU 38 LEU 39 ASN 40 TYR 41 LEU 42 ASN 43 GLU 44 LYS 45 GLY 46 PHE 47 LEU 48 SER 49 LYS 50 SER 51 VAL 52 GLU 53 GLU 54 ILE 55 SER 56 ASP 57 VAL 58 LEU 59 ARG 60 CYS 61 SER 62 VAL 63 GLU 64 GLU 65 LEU 66 GLU 67 LYS 68 VAL 69 ARG 70 GLN 71 LYS 72 VAL 73 LEU 74 ARG 75 LEU 76 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 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 15991 Core_Binding_Domain 88.16 130 100.00 100.00 8.41e-34 PDB 2K9L "Structure Of The Core Binding Domain Of Sigma54" 100.00 76 100.00 100.00 5.00e-42 PDB 2K9M "Structure Of The Core Binding Domain Of Sigma54" 88.16 130 100.00 100.00 8.41e-34 GB AAC06814 "RNA polymerase sigma factor RpoN [Aquifex aeolicus VF5]" 100.00 398 100.00 100.00 2.59e-39 REF NP_213418 "RNA polymerase sigma factor RpoN [Aquifex aeolicus VF5]" 100.00 398 100.00 100.00 2.59e-39 REF WP_010880356 "RNA polymerase sigma-54 factor [Aquifex aeolicus]" 100.00 398 100.00 100.00 2.59e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RNAP 'Aquifex aeolicus' 63363 Bacteria . Aquifex aeolicus 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 $RNAP 'recombinant technology' . Escherichia coli . pET21b3-2 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 $RNAP 1-1.5 mM '[U-100% 13C; U-100% 15N]' $RNAP 1-1.5 mM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 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 '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 LYS HA H 4.356 0.020 1 2 1 1 LYS HB2 H 1.879 0.020 2 3 1 1 LYS HB3 H 1.801 0.020 2 4 1 1 LYS HD2 H 1.715 0.020 2 5 1 1 LYS HD3 H 1.715 0.020 2 6 1 1 LYS HE2 H 3.031 0.020 2 7 1 1 LYS HE3 H 3.031 0.020 2 8 1 1 LYS HG2 H 1.469 0.020 2 9 1 1 LYS HG3 H 1.469 0.020 2 10 1 1 LYS CB C 33.634 0.400 1 11 1 1 LYS CD C 29.610 0.400 1 12 1 1 LYS CE C 42.410 0.400 1 13 1 1 LYS CG C 25.438 0.400 1 14 2 2 GLU H H 8.736 0.020 1 15 2 2 GLU HA H 4.388 0.020 1 16 2 2 GLU HB2 H 2.100 0.020 2 17 2 2 GLU HB3 H 1.982 0.020 2 18 2 2 GLU HG2 H 2.309 0.020 2 19 2 2 GLU HG3 H 2.309 0.020 2 20 2 2 GLU CA C 57.319 0.400 1 21 2 2 GLU CB C 30.589 0.400 1 22 2 2 GLU CG C 36.850 0.400 1 23 2 2 GLU N N 122.125 0.400 1 24 3 3 THR H H 8.251 0.020 1 25 3 3 THR HA H 4.362 0.020 1 26 3 3 THR HB H 4.181 0.020 1 27 3 3 THR HG2 H 1.210 0.020 1 28 3 3 THR CA C 62.452 0.400 1 29 3 3 THR CB C 70.334 0.400 1 30 3 3 THR CG2 C 22.282 0.400 1 31 3 3 THR N N 116.325 0.400 1 32 4 4 VAL H H 8.180 0.020 1 33 4 4 VAL HA H 4.465 0.020 1 34 4 4 VAL HB H 2.078 0.020 1 35 4 4 VAL HG1 H 0.966 0.020 2 36 4 4 VAL HG2 H 0.942 0.020 2 37 4 4 VAL CA C 60.334 0.400 1 38 4 4 VAL CB C 33.415 0.400 1 39 4 4 VAL CG1 C 21.801 0.400 1 40 4 4 VAL CG2 C 21.002 0.400 1 41 4 4 VAL N N 124.150 0.400 1 42 5 5 PRO HA H 4.408 0.020 1 43 5 5 PRO HB2 H 2.229 0.020 2 44 5 5 PRO HB3 H 1.852 0.020 2 45 5 5 PRO HD2 H 3.854 0.020 2 46 5 5 PRO HD3 H 3.687 0.020 2 47 5 5 PRO HG2 H 1.983 0.020 2 48 5 5 PRO HG3 H 1.983 0.020 2 49 5 5 PRO CA C 63.900 0.400 1 50 5 5 PRO CB C 32.584 0.400 1 51 5 5 PRO CD C 51.629 0.400 1 52 5 5 PRO CG C 27.929 0.400 1 53 6 6 TYR H H 8.029 0.020 1 54 6 6 TYR HA H 4.535 0.020 1 55 6 6 TYR HB2 H 3.049 0.020 2 56 6 6 TYR HB3 H 2.995 0.020 2 57 6 6 TYR HD1 H 7.114 0.020 1 58 6 6 TYR HD2 H 7.114 0.020 1 59 6 6 TYR CA C 58.383 0.400 1 60 6 6 TYR CB C 39.384 0.400 1 61 6 6 TYR N N 119.997 0.400 1 62 7 7 GLN H H 8.052 0.020 1 63 7 7 GLN HA H 4.348 0.020 1 64 7 7 GLN HB2 H 1.963 0.020 2 65 7 7 GLN HB3 H 1.846 0.020 2 66 7 7 GLN HE21 H 7.482 0.020 2 67 7 7 GLN HE22 H 6.781 0.020 2 68 7 7 GLN HG2 H 2.184 0.020 2 69 7 7 GLN HG3 H 2.184 0.020 2 70 7 7 GLN CA C 55.573 0.400 1 71 7 7 GLN CB C 30.653 0.400 1 72 7 7 GLN CG C 34.251 0.400 1 73 7 7 GLN N N 122.788 0.400 1 74 7 7 GLN NE2 N 112.199 0.400 1 75 8 8 ILE H H 8.141 0.020 1 76 8 8 ILE HA H 4.371 0.020 1 77 8 8 ILE HB H 1.839 0.020 1 78 8 8 ILE HD1 H 0.911 0.020 1 79 8 8 ILE HG12 H 1.530 0.020 2 80 8 8 ILE HG13 H 1.181 0.020 2 81 8 8 ILE HG2 H 0.948 0.020 1 82 8 8 ILE CA C 59.275 0.400 1 83 8 8 ILE CB C 39.359 0.400 1 84 8 8 ILE CD1 C 13.724 0.400 1 85 8 8 ILE CG1 C 27.775 0.400 1 86 8 8 ILE CG2 C 17.975 0.400 1 87 8 8 ILE N N 123.929 0.400 1 88 9 9 PRO HA H 4.707 0.020 1 89 9 9 PRO HB2 H 2.254 0.020 2 90 9 9 PRO HB3 H 2.058 0.020 2 91 9 9 PRO HD2 H 3.509 0.020 2 92 9 9 PRO HD3 H 3.509 0.020 2 93 9 9 PRO HG2 H 1.908 0.020 2 94 9 9 PRO HG3 H 1.704 0.020 2 95 9 9 PRO CA C 63.409 0.400 1 96 9 9 PRO CB C 34.699 0.400 1 97 9 9 PRO CD C 50.653 0.400 1 98 9 9 PRO CG C 25.354 0.400 1 99 10 10 TYR HA H 4.876 0.020 1 100 10 10 TYR HB2 H 3.106 0.020 2 101 10 10 TYR HB3 H 2.902 0.020 2 102 10 10 TYR CA C 52.973 0.400 1 103 10 10 TYR CB C 39.784 0.400 1 104 11 11 THR HA H 4.690 0.020 1 105 11 11 THR HB H 4.611 0.020 1 106 11 11 THR HG2 H 1.353 0.020 1 107 11 11 THR CA C 60.542 0.400 1 108 11 11 THR CB C 69.239 0.400 1 109 11 11 THR CG2 C 22.360 0.400 1 110 12 12 PRO HA H 4.306 0.020 1 111 12 12 PRO HB2 H 2.452 0.020 2 112 12 12 PRO HB3 H 2.025 0.020 2 113 12 12 PRO HD2 H 3.926 0.020 2 114 12 12 PRO HD3 H 3.926 0.020 2 115 12 12 PRO HG2 H 2.238 0.020 2 116 12 12 PRO HG3 H 2.081 0.020 2 117 12 12 PRO CA C 66.412 0.400 1 118 12 12 PRO CB C 32.541 0.400 1 119 12 12 PRO CD C 51.105 0.400 1 120 12 12 PRO CG C 28.678 0.400 1 121 13 13 SER H H 8.323 0.020 1 122 13 13 SER HA H 4.338 0.020 1 123 13 13 SER HB2 H 3.938 0.020 2 124 13 13 SER HB3 H 3.938 0.020 2 125 13 13 SER CA C 61.595 0.400 1 126 13 13 SER CB C 63.518 0.400 1 127 13 13 SER N N 113.117 0.400 1 128 14 14 GLU H H 7.977 0.020 1 129 14 14 GLU HA H 4.186 0.020 1 130 14 14 GLU HB2 H 2.434 0.020 2 131 14 14 GLU HB3 H 2.099 0.020 2 132 14 14 GLU HG2 H 2.410 0.020 2 133 14 14 GLU HG3 H 2.358 0.020 2 134 14 14 GLU CA C 59.400 0.400 1 135 14 14 GLU CB C 30.761 0.400 1 136 14 14 GLU CG C 37.970 0.400 1 137 14 14 GLU N N 123.532 0.400 1 138 15 15 LEU H H 8.338 0.020 1 139 15 15 LEU HA H 3.993 0.020 1 140 15 15 LEU HB2 H 1.771 0.020 2 141 15 15 LEU HB3 H 1.644 0.020 2 142 15 15 LEU HD1 H 0.883 0.020 2 143 15 15 LEU HD2 H 0.817 0.020 2 144 15 15 LEU HG H 1.622 0.020 1 145 15 15 LEU CA C 58.461 0.400 1 146 15 15 LEU CB C 42.414 0.400 1 147 15 15 LEU CD1 C 25.450 0.400 1 148 15 15 LEU CD2 C 24.807 0.400 1 149 15 15 LEU CG C 27.740 0.400 1 150 15 15 LEU N N 121.041 0.400 1 151 16 16 GLU H H 8.030 0.020 1 152 16 16 GLU HA H 4.079 0.020 1 153 16 16 GLU HB2 H 2.125 0.020 2 154 16 16 GLU HB3 H 2.125 0.020 2 155 16 16 GLU HG2 H 2.395 0.020 2 156 16 16 GLU HG3 H 2.279 0.020 2 157 16 16 GLU CA C 60.000 0.400 1 158 16 16 GLU CB C 30.019 0.400 1 159 16 16 GLU CG C 37.090 0.400 1 160 16 16 GLU N N 119.769 0.400 1 161 17 17 GLU H H 7.814 0.020 1 162 17 17 GLU HA H 4.063 0.020 1 163 17 17 GLU HB2 H 2.170 0.020 2 164 17 17 GLU HB3 H 2.126 0.020 2 165 17 17 GLU HG2 H 2.377 0.020 2 166 17 17 GLU HG3 H 2.273 0.020 2 167 17 17 GLU CA C 59.820 0.400 1 168 17 17 GLU CB C 30.099 0.400 1 169 17 17 GLU CG C 37.101 0.400 1 170 17 17 GLU N N 120.078 0.400 1 171 18 18 LEU H H 7.997 0.020 1 172 18 18 LEU HA H 4.206 0.020 1 173 18 18 LEU HB2 H 1.761 0.020 2 174 18 18 LEU HB3 H 1.652 0.020 2 175 18 18 LEU HD1 H 0.810 0.020 2 176 18 18 LEU HD2 H 0.866 0.020 2 177 18 18 LEU HG H 1.644 0.020 1 178 18 18 LEU CA C 58.748 0.400 1 179 18 18 LEU CB C 42.727 0.400 1 180 18 18 LEU CD1 C 25.826 0.400 1 181 18 18 LEU CD2 C 21.593 0.400 1 182 18 18 LEU CG C 27.788 0.400 1 183 18 18 LEU N N 120.910 0.400 1 184 19 19 GLN H H 8.369 0.020 1 185 19 19 GLN HA H 3.733 0.020 1 186 19 19 GLN HB2 H 2.292 0.020 2 187 19 19 GLN HB3 H 2.041 0.020 2 188 19 19 GLN HE21 H 7.077 0.020 2 189 19 19 GLN HE22 H 6.863 0.020 2 190 19 19 GLN HG2 H 2.488 0.020 2 191 19 19 GLN HG3 H 2.149 0.020 2 192 19 19 GLN CA C 60.479 0.400 1 193 19 19 GLN CB C 29.040 0.400 1 194 19 19 GLN CG C 35.346 0.400 1 195 19 19 GLN N N 117.568 0.400 1 196 19 19 GLN NE2 N 110.172 0.400 1 197 20 20 GLN H H 7.897 0.020 1 198 20 20 GLN HA H 4.056 0.020 1 199 20 20 GLN HB2 H 2.259 0.020 2 200 20 20 GLN HB3 H 2.191 0.020 2 201 20 20 GLN HE21 H 7.663 0.020 2 202 20 20 GLN HE22 H 7.087 0.020 2 203 20 20 GLN HG2 H 2.500 0.020 2 204 20 20 GLN HG3 H 2.500 0.020 2 205 20 20 GLN CA C 59.314 0.400 1 206 20 20 GLN CB C 28.832 0.400 1 207 20 20 GLN CG C 34.410 0.400 1 208 20 20 GLN N N 117.441 0.400 1 209 20 20 GLN NE2 N 113.116 0.400 1 210 21 21 ASN H H 8.264 0.020 1 211 21 21 ASN HA H 4.595 0.020 1 212 21 21 ASN HB2 H 2.977 0.020 2 213 21 21 ASN HB3 H 2.858 0.020 2 214 21 21 ASN HD21 H 7.559 0.020 2 215 21 21 ASN HD22 H 7.058 0.020 2 216 21 21 ASN CA C 56.907 0.400 1 217 21 21 ASN CB C 38.905 0.400 1 218 21 21 ASN N N 118.962 0.400 1 219 21 21 ASN ND2 N 112.178 0.400 1 220 22 22 ILE H H 8.597 0.020 1 221 22 22 ILE HA H 3.568 0.020 1 222 22 22 ILE HB H 2.054 0.020 1 223 22 22 ILE HD1 H 0.787 0.020 1 224 22 22 ILE HG12 H 1.878 0.020 2 225 22 22 ILE HG13 H 0.911 0.020 2 226 22 22 ILE HG2 H 0.894 0.020 1 227 22 22 ILE CA C 66.384 0.400 1 228 22 22 ILE CB C 38.920 0.400 1 229 22 22 ILE CD1 C 15.688 0.400 1 230 22 22 ILE CG1 C 30.779 0.400 1 231 22 22 ILE CG2 C 19.962 0.400 1 232 22 22 ILE N N 121.666 0.400 1 233 23 23 LYS H H 7.680 0.020 1 234 23 23 LYS HA H 4.040 0.020 1 235 23 23 LYS HB2 H 1.904 0.020 2 236 23 23 LYS HB3 H 1.904 0.020 2 237 23 23 LYS HD2 H 1.676 0.020 2 238 23 23 LYS HD3 H 1.676 0.020 2 239 23 23 LYS HE2 H 2.905 0.020 2 240 23 23 LYS HE3 H 2.905 0.020 2 241 23 23 LYS HG2 H 1.728 0.020 2 242 23 23 LYS HG3 H 1.329 0.020 2 243 23 23 LYS CA C 59.510 0.400 1 244 23 23 LYS CB C 32.892 0.400 1 245 23 23 LYS CD C 29.840 0.400 1 246 23 23 LYS CE C 42.640 0.400 1 247 23 23 LYS CG C 27.286 0.400 1 248 23 23 LYS N N 116.920 0.400 1 249 24 24 LEU H H 7.663 0.020 1 250 24 24 LEU HA H 4.394 0.020 1 251 24 24 LEU HB2 H 1.954 0.020 2 252 24 24 LEU HB3 H 1.704 0.020 2 253 24 24 LEU HD1 H 0.978 0.020 2 254 24 24 LEU HD2 H 0.943 0.020 2 255 24 24 LEU HG H 1.807 0.020 1 256 24 24 LEU CA C 57.084 0.400 1 257 24 24 LEU CB C 44.008 0.400 1 258 24 24 LEU CD1 C 25.459 0.400 1 259 24 24 LEU CD2 C 23.943 0.400 1 260 24 24 LEU CG C 27.260 0.400 1 261 24 24 LEU N N 117.664 0.400 1 262 25 25 GLU H H 8.083 0.020 1 263 25 25 GLU HA H 4.418 0.020 1 264 25 25 GLU HB2 H 2.113 0.020 2 265 25 25 GLU HB3 H 1.929 0.020 2 266 25 25 GLU HG2 H 2.417 0.020 2 267 25 25 GLU HG3 H 2.269 0.020 2 268 25 25 GLU CA C 58.180 0.400 1 269 25 25 GLU CB C 32.500 0.400 1 270 25 25 GLU CG C 36.903 0.400 1 271 25 25 GLU N N 116.230 0.400 1 272 26 26 LEU H H 8.104 0.020 1 273 26 26 LEU HA H 4.940 0.020 1 274 26 26 LEU HB2 H 1.884 0.020 2 275 26 26 LEU HB3 H 1.297 0.020 2 276 26 26 LEU HD1 H 0.850 0.020 2 277 26 26 LEU HD2 H 0.942 0.020 2 278 26 26 LEU HG H 1.738 0.020 1 279 26 26 LEU CA C 54.255 0.400 1 280 26 26 LEU CB C 44.156 0.400 1 281 26 26 LEU CD1 C 27.263 0.400 1 282 26 26 LEU CD2 C 24.488 0.400 1 283 26 26 LEU CG C 28.320 0.400 1 284 26 26 LEU N N 118.608 0.400 1 285 27 27 GLU H H 9.031 0.020 1 286 27 27 GLU HA H 4.754 0.020 1 287 27 27 GLU HB2 H 2.074 0.020 2 288 27 27 GLU HB3 H 1.979 0.020 2 289 27 27 GLU HG2 H 2.245 0.020 2 290 27 27 GLU HG3 H 2.178 0.020 2 291 27 27 GLU CA C 55.151 0.400 1 292 27 27 GLU CB C 34.620 0.400 1 293 27 27 GLU CG C 36.658 0.400 1 294 27 27 GLU N N 119.403 0.400 1 295 28 28 GLY H H 8.862 0.020 1 296 28 28 GLY HA2 H 3.982 0.020 2 297 28 28 GLY HA3 H 3.842 0.020 2 298 28 28 GLY CA C 47.145 0.400 1 299 28 28 GLY N N 109.474 0.400 1 300 29 29 LYS HA H 4.144 0.020 1 301 29 29 LYS HB2 H 1.940 0.020 2 302 29 29 LYS HB3 H 1.940 0.020 2 303 29 29 LYS HD2 H 1.771 0.020 2 304 29 29 LYS HD3 H 1.771 0.020 2 305 29 29 LYS HE2 H 3.008 0.020 2 306 29 29 LYS HE3 H 3.008 0.020 2 307 29 29 LYS HG2 H 1.571 0.020 2 308 29 29 LYS HG3 H 1.571 0.020 2 309 29 29 LYS CA C 58.865 0.400 1 310 29 29 LYS CB C 32.544 0.400 1 311 29 29 LYS CD C 27.400 0.400 1 312 29 29 LYS CE C 42.513 0.400 1 313 29 29 LYS CG C 25.154 0.400 1 314 30 30 GLU H H 8.212 0.020 1 315 30 30 GLU HA H 3.947 0.020 1 316 30 30 GLU HB2 H 2.323 0.020 2 317 30 30 GLU HB3 H 2.078 0.020 2 318 30 30 GLU HG2 H 2.564 0.020 2 319 30 30 GLU HG3 H 2.246 0.020 2 320 30 30 GLU CA C 60.964 0.400 1 321 30 30 GLU CB C 30.516 0.400 1 322 30 30 GLU CG C 38.298 0.400 1 323 30 30 GLU N N 117.846 0.400 1 324 31 31 GLN H H 7.009 0.020 1 325 31 31 GLN HA H 3.565 0.020 1 326 31 31 GLN HB2 H 2.184 0.020 2 327 31 31 GLN HB3 H 1.535 0.020 2 328 31 31 GLN HE21 H 7.483 0.020 2 329 31 31 GLN HE22 H 6.882 0.020 2 330 31 31 GLN HG2 H 2.249 0.020 2 331 31 31 GLN HG3 H 1.941 0.020 2 332 31 31 GLN CA C 59.816 0.400 1 333 31 31 GLN CB C 30.189 0.400 1 334 31 31 GLN CG C 35.972 0.400 1 335 31 31 GLN N N 117.968 0.400 1 336 31 31 GLN NE2 N 111.790 0.400 1 337 32 32 GLU H H 7.713 0.020 1 338 32 32 GLU HA H 3.945 0.020 1 339 32 32 GLU HB2 H 2.181 0.020 2 340 32 32 GLU HB3 H 2.181 0.020 2 341 32 32 GLU HG2 H 2.421 0.020 2 342 32 32 GLU HG3 H 2.223 0.020 2 343 32 32 GLU CA C 60.231 0.400 1 344 32 32 GLU CB C 30.483 0.400 1 345 32 32 GLU CG C 36.992 0.400 1 346 32 32 GLU N N 117.846 0.400 1 347 33 33 LEU H H 8.428 0.020 1 348 33 33 LEU HA H 4.143 0.020 1 349 33 33 LEU HB2 H 1.904 0.020 2 350 33 33 LEU HB3 H 1.536 0.020 2 351 33 33 LEU HD1 H 0.942 0.020 2 352 33 33 LEU HD2 H 0.848 0.020 2 353 33 33 LEU HG H 1.808 0.020 1 354 33 33 LEU CA C 58.389 0.400 1 355 33 33 LEU CB C 42.962 0.400 1 356 33 33 LEU CD1 C 24.983 0.400 1 357 33 33 LEU CG C 27.814 0.400 1 358 33 33 LEU N N 119.442 0.400 1 359 34 34 ALA H H 8.164 0.020 1 360 34 34 ALA HA H 3.775 0.020 1 361 34 34 ALA HB H 1.394 0.020 1 362 34 34 ALA CA C 56.067 0.400 1 363 34 34 ALA CB C 20.487 0.400 1 364 34 34 ALA N N 120.630 0.400 1 365 35 35 LEU H H 7.996 0.020 1 366 35 35 LEU HA H 4.039 0.020 1 367 35 35 LEU HB2 H 1.995 0.020 2 368 35 35 LEU HB3 H 1.480 0.020 2 369 35 35 LEU HD1 H 0.905 0.020 2 370 35 35 LEU HD2 H 0.913 0.020 2 371 35 35 LEU HG H 1.974 0.020 1 372 35 35 LEU CA C 58.315 0.400 1 373 35 35 LEU CB C 41.847 0.400 1 374 35 35 LEU CD1 C 26.731 0.400 1 375 35 35 LEU CD2 C 23.571 0.400 1 376 35 35 LEU CG C 27.525 0.400 1 377 35 35 LEU N N 115.024 0.400 1 378 36 36 GLU H H 7.861 0.020 1 379 36 36 GLU HA H 4.223 0.020 1 380 36 36 GLU HB2 H 2.196 0.020 2 381 36 36 GLU HB3 H 2.142 0.020 2 382 36 36 GLU HG2 H 2.460 0.020 2 383 36 36 GLU HG3 H 2.460 0.020 2 384 36 36 GLU CA C 59.418 0.400 1 385 36 36 GLU CB C 30.287 0.400 1 386 36 36 GLU CG C 36.585 0.400 1 387 36 36 GLU N N 119.544 0.400 1 388 37 37 LEU H H 8.589 0.020 1 389 37 37 LEU HA H 4.115 0.020 1 390 37 37 LEU HB2 H 2.012 0.020 2 391 37 37 LEU HB3 H 1.715 0.020 2 392 37 37 LEU HD1 H 0.843 0.020 2 393 37 37 LEU HD2 H 0.928 0.020 2 394 37 37 LEU HG H 1.752 0.020 1 395 37 37 LEU CA C 58.620 0.400 1 396 37 37 LEU CB C 42.133 0.400 1 397 37 37 LEU CD1 C 26.000 0.400 1 398 37 37 LEU CD2 C 24.740 0.400 1 399 37 37 LEU CG C 27.471 0.400 1 400 37 37 LEU N N 120.762 0.400 1 401 38 38 LEU H H 7.682 0.020 1 402 38 38 LEU HA H 3.938 0.020 1 403 38 38 LEU HB2 H 1.839 0.020 2 404 38 38 LEU HB3 H 1.638 0.020 2 405 38 38 LEU HD1 H 0.914 0.020 2 406 38 38 LEU HD2 H 0.811 0.020 2 407 38 38 LEU HG H 2.046 0.020 1 408 38 38 LEU CA C 58.242 0.400 1 409 38 38 LEU CB C 41.885 0.400 1 410 38 38 LEU CD1 C 26.260 0.400 1 411 38 38 LEU CD2 C 24.410 0.400 1 412 38 38 LEU CG C 27.280 0.400 1 413 38 38 LEU N N 115.945 0.400 1 414 39 39 ASN H H 7.565 0.020 1 415 39 39 ASN HA H 4.448 0.020 1 416 39 39 ASN HB2 H 2.673 0.020 2 417 39 39 ASN HB3 H 2.565 0.020 2 418 39 39 ASN HD21 H 7.461 0.020 2 419 39 39 ASN HD22 H 6.943 0.020 2 420 39 39 ASN CA C 55.814 0.400 1 421 39 39 ASN CB C 38.795 0.400 1 422 39 39 ASN N N 114.557 0.400 1 423 39 39 ASN ND2 N 114.439 0.400 1 424 40 40 TYR H H 8.104 0.020 1 425 40 40 TYR HA H 4.393 0.020 1 426 40 40 TYR HB2 H 3.013 0.020 2 427 40 40 TYR HB3 H 2.745 0.020 2 428 40 40 TYR HD1 H 7.085 0.020 1 429 40 40 TYR HD2 H 7.085 0.020 1 430 40 40 TYR CA C 59.707 0.400 1 431 40 40 TYR CB C 39.713 0.400 1 432 40 40 TYR N N 118.123 0.400 1 433 41 41 LEU HA H 4.613 0.020 1 434 41 41 LEU HB2 H 1.861 0.020 2 435 41 41 LEU HB3 H 1.721 0.020 2 436 41 41 LEU HD1 H 0.946 0.020 2 437 41 41 LEU HG H 1.772 0.020 1 438 41 41 LEU CA C 55.820 0.400 1 439 41 41 LEU CB C 43.074 0.400 1 440 41 41 LEU CD1 C 26.150 0.400 1 441 42 42 ASN HA H 4.481 0.020 1 442 42 42 ASN HB2 H 3.125 0.020 2 443 42 42 ASN HB3 H 2.902 0.020 2 444 42 42 ASN HD21 H 7.647 0.020 2 445 42 42 ASN HD22 H 6.730 0.020 2 446 42 42 ASN CA C 58.270 0.400 1 447 42 42 ASN CB C 39.101 0.400 1 448 42 42 ASN ND2 N 111.445 0.400 1 449 43 43 GLU H H 8.415 0.020 1 450 43 43 GLU HA H 4.450 0.020 1 451 43 43 GLU HB2 H 2.061 0.020 2 452 43 43 GLU HB3 H 1.928 0.020 2 453 43 43 GLU HG2 H 2.324 0.020 2 454 43 43 GLU HG3 H 2.324 0.020 2 455 43 43 GLU CA C 55.554 0.400 1 456 43 43 GLU CB C 31.007 0.400 1 457 43 43 GLU CG C 34.544 0.400 1 458 43 43 GLU N N 121.028 0.400 1 459 44 44 LYS H H 7.837 0.020 1 460 44 44 LYS HA H 4.240 0.020 1 461 44 44 LYS HB2 H 1.889 0.020 2 462 44 44 LYS HB3 H 1.667 0.020 2 463 44 44 LYS HE2 H 2.974 0.020 2 464 44 44 LYS HE3 H 2.974 0.020 2 465 44 44 LYS HG2 H 1.391 0.020 2 466 44 44 LYS HG3 H 1.323 0.020 2 467 44 44 LYS CA C 57.026 0.400 1 468 44 44 LYS CB C 33.190 0.400 1 469 44 44 LYS CG C 25.754 0.400 1 470 44 44 LYS N N 120.677 0.400 1 471 45 45 GLY HA2 H 4.141 0.020 2 472 45 45 GLY HA3 H 3.662 0.020 2 473 45 45 GLY CA C 46.446 0.400 1 474 46 46 PHE HA H 4.801 0.020 1 475 46 46 PHE HB2 H 3.032 0.020 2 476 46 46 PHE HB3 H 2.764 0.020 2 477 46 46 PHE HD1 H 7.076 0.020 1 478 46 46 PHE HD2 H 7.076 0.020 1 479 46 46 PHE CA C 58.338 0.400 1 480 46 46 PHE CB C 40.759 0.400 1 481 47 47 LEU H H 8.704 0.020 1 482 47 47 LEU N N 116.280 0.400 1 483 48 48 SER HA H 4.398 0.020 1 484 48 48 SER HB2 H 4.070 0.020 2 485 48 48 SER HB3 H 3.927 0.020 2 486 48 48 SER CA C 59.716 0.400 1 487 48 48 SER CB C 64.414 0.400 1 488 49 49 LYS H H 7.454 0.020 1 489 49 49 LYS HA H 4.548 0.020 1 490 49 49 LYS HB2 H 1.856 0.020 2 491 49 49 LYS HB3 H 1.526 0.020 2 492 49 49 LYS HD2 H 1.565 0.020 2 493 49 49 LYS HD3 H 1.518 0.020 2 494 49 49 LYS HE2 H 3.015 0.020 2 495 49 49 LYS HE3 H 3.015 0.020 2 496 49 49 LYS HG2 H 1.523 0.020 2 497 49 49 LYS HG3 H 1.523 0.020 2 498 49 49 LYS CA C 55.424 0.400 1 499 49 49 LYS CB C 36.753 0.400 1 500 49 49 LYS CD C 29.642 0.400 1 501 49 49 LYS CE C 42.669 0.400 1 502 49 49 LYS CG C 26.030 0.400 1 503 49 49 LYS N N 120.599 0.400 1 504 50 50 SER H H 8.597 0.020 1 505 50 50 SER HA H 4.475 0.020 1 506 50 50 SER HB2 H 4.430 0.020 2 507 50 50 SER HB3 H 4.088 0.020 2 508 50 50 SER CA C 58.245 0.400 1 509 50 50 SER CB C 65.596 0.400 1 510 50 50 SER N N 115.565 0.400 1 511 51 51 VAL H H 8.796 0.020 1 512 51 51 VAL HA H 3.663 0.020 1 513 51 51 VAL HB H 2.111 0.020 1 514 51 51 VAL HG1 H 1.035 0.020 2 515 51 51 VAL HG2 H 1.035 0.020 2 516 51 51 VAL CA C 66.704 0.400 1 517 51 51 VAL CB C 32.181 0.400 1 518 51 51 VAL CG1 C 22.493 0.400 1 519 51 51 VAL N N 119.250 0.400 1 520 52 52 GLU H H 9.039 0.020 1 521 52 52 GLU HA H 3.830 0.020 1 522 52 52 GLU HB2 H 2.093 0.020 2 523 52 52 GLU HB3 H 1.956 0.020 2 524 52 52 GLU HG2 H 2.483 0.020 2 525 52 52 GLU HG3 H 2.223 0.020 2 526 52 52 GLU CA C 61.704 0.400 1 527 52 52 GLU CB C 29.274 0.400 1 528 52 52 GLU CG C 37.924 0.400 1 529 52 52 GLU N N 122.282 0.400 1 530 53 53 GLU H H 7.795 0.020 1 531 53 53 GLU HA H 4.095 0.020 1 532 53 53 GLU HB2 H 2.268 0.020 2 533 53 53 GLU HB3 H 1.980 0.020 2 534 53 53 GLU HG2 H 2.370 0.020 2 535 53 53 GLU HG3 H 2.245 0.020 2 536 53 53 GLU CA C 59.815 0.400 1 537 53 53 GLU CB C 30.823 0.400 1 538 53 53 GLU CG C 37.868 0.400 1 539 53 53 GLU N N 120.508 0.400 1 540 54 54 ILE H H 8.301 0.020 1 541 54 54 ILE HA H 3.314 0.020 1 542 54 54 ILE HB H 1.474 0.020 1 543 54 54 ILE HD1 H 0.538 0.020 1 544 54 54 ILE HG12 H 1.509 0.020 2 545 54 54 ILE HG13 H 0.176 0.020 2 546 54 54 ILE HG2 H 0.569 0.020 1 547 54 54 ILE CA C 65.825 0.400 1 548 54 54 ILE CB C 38.317 0.400 1 549 54 54 ILE CD1 C 14.776 0.400 1 550 54 54 ILE CG1 C 29.128 0.400 1 551 54 54 ILE CG2 C 19.132 0.400 1 552 54 54 ILE N N 119.651 0.400 1 553 55 55 SER H H 8.354 0.020 1 554 55 55 SER HA H 4.210 0.020 1 555 55 55 SER HB2 H 4.028 0.020 2 556 55 55 SER HB3 H 3.826 0.020 2 557 55 55 SER CA C 62.600 0.400 1 558 55 55 SER CB C 62.631 0.400 1 559 55 55 SER N N 116.149 0.400 1 560 56 56 ASP H H 7.345 0.020 1 561 56 56 ASP HA H 4.573 0.020 1 562 56 56 ASP HB2 H 2.841 0.020 2 563 56 56 ASP HB3 H 2.764 0.020 2 564 56 56 ASP CA C 57.740 0.400 1 565 56 56 ASP CB C 41.864 0.400 1 566 56 56 ASP N N 120.839 0.400 1 567 57 57 VAL H H 7.556 0.020 1 568 57 57 VAL HA H 3.792 0.020 1 569 57 57 VAL HB H 2.208 0.020 1 570 57 57 VAL HG1 H 1.113 0.020 2 571 57 57 VAL HG2 H 0.941 0.020 2 572 57 57 VAL CA C 66.383 0.400 1 573 57 57 VAL CB C 32.482 0.400 1 574 57 57 VAL CG1 C 22.852 0.400 1 575 57 57 VAL CG2 C 21.791 0.400 1 576 57 57 VAL N N 119.783 0.400 1 577 58 58 LEU H H 8.211 0.020 1 578 58 58 LEU HA H 4.170 0.020 1 579 58 58 LEU HB2 H 1.785 0.020 2 580 58 58 LEU HB3 H 1.569 0.020 2 581 58 58 LEU HD1 H 0.808 0.020 2 582 58 58 LEU HD2 H 0.853 0.020 2 583 58 58 LEU HG H 1.782 0.020 1 584 58 58 LEU CA C 55.942 0.400 1 585 58 58 LEU CB C 42.116 0.400 1 586 58 58 LEU CD1 C 26.957 0.400 1 587 58 58 LEU CD2 C 23.447 0.400 1 588 58 58 LEU CG C 27.715 0.400 1 589 58 58 LEU N N 117.834 0.400 1 590 59 59 ARG H H 7.910 0.020 1 591 59 59 ARG HA H 4.043 0.020 1 592 59 59 ARG HB2 H 2.188 0.020 2 593 59 59 ARG HB3 H 1.910 0.020 2 594 59 59 ARG HD2 H 3.272 0.020 2 595 59 59 ARG HD3 H 3.272 0.020 2 596 59 59 ARG HG2 H 1.640 0.020 2 597 59 59 ARG HG3 H 1.640 0.020 2 598 59 59 ARG CA C 56.973 0.400 1 599 59 59 ARG CB C 26.914 0.400 1 600 59 59 ARG CD C 44.000 0.400 1 601 59 59 ARG CG C 27.633 0.400 1 602 59 59 ARG N N 115.949 0.400 1 603 60 60 CYS H H 8.383 0.020 1 604 60 60 CYS HA H 5.229 0.020 1 605 60 60 CYS HB2 H 3.506 0.020 2 606 60 60 CYS HB3 H 2.472 0.020 2 607 60 60 CYS CA C 55.217 0.400 1 608 60 60 CYS CB C 32.768 0.400 1 609 60 60 CYS N N 115.735 0.400 1 610 61 61 SER H H 8.824 0.020 1 611 61 61 SER HA H 4.783 0.020 1 612 61 61 SER HB2 H 4.403 0.020 2 613 61 61 SER HB3 H 4.019 0.020 2 614 61 61 SER CA C 57.446 0.400 1 615 61 61 SER CB C 65.881 0.400 1 616 61 61 SER N N 116.083 0.400 1 617 62 62 VAL H H 8.881 0.020 1 618 62 62 VAL HA H 3.742 0.020 1 619 62 62 VAL HB H 2.080 0.020 1 620 62 62 VAL HG1 H 1.089 0.020 2 621 62 62 VAL HG2 H 0.979 0.020 2 622 62 62 VAL CA C 67.096 0.400 1 623 62 62 VAL CB C 32.168 0.400 1 624 62 62 VAL CG1 C 23.516 0.400 1 625 62 62 VAL CG2 C 22.225 0.400 1 626 62 62 VAL N N 123.494 0.400 1 627 63 63 GLU H H 8.569 0.020 1 628 63 63 GLU HA H 4.035 0.020 1 629 63 63 GLU HB2 H 2.101 0.020 2 630 63 63 GLU HB3 H 1.962 0.020 2 631 63 63 GLU HG2 H 2.358 0.020 2 632 63 63 GLU HG3 H 2.324 0.020 2 633 63 63 GLU CA C 60.624 0.400 1 634 63 63 GLU CB C 29.786 0.400 1 635 63 63 GLU CG C 37.620 0.400 1 636 63 63 GLU N N 118.865 0.400 1 637 64 64 GLU H H 7.852 0.020 1 638 64 64 GLU HA H 4.011 0.020 1 639 64 64 GLU HB2 H 2.268 0.020 2 640 64 64 GLU HB3 H 1.916 0.020 2 641 64 64 GLU HG2 H 2.281 0.020 2 642 64 64 GLU HG3 H 2.281 0.020 2 643 64 64 GLU CA C 59.530 0.400 1 644 64 64 GLU CB C 30.753 0.400 1 645 64 64 GLU N N 119.583 0.400 1 646 65 65 LEU H H 7.866 0.020 1 647 65 65 LEU HA H 4.048 0.020 1 648 65 65 LEU HB2 H 1.867 0.020 2 649 65 65 LEU HB3 H 1.584 0.020 2 650 65 65 LEU HD1 H 0.857 0.020 2 651 65 65 LEU HD2 H 0.870 0.020 2 652 65 65 LEU CA C 58.014 0.400 1 653 65 65 LEU CB C 42.245 0.400 1 654 65 65 LEU CD1 C 27.190 0.400 1 655 65 65 LEU CD2 C 25.168 0.400 1 656 65 65 LEU N N 120.530 0.400 1 657 66 66 GLU H H 8.731 0.020 1 658 66 66 GLU HA H 4.278 0.020 1 659 66 66 GLU HB2 H 2.164 0.020 2 660 66 66 GLU HB3 H 1.998 0.020 2 661 66 66 GLU HG2 H 2.354 0.020 2 662 66 66 GLU HG3 H 2.319 0.020 2 663 66 66 GLU CA C 59.520 0.400 1 664 66 66 GLU CB C 29.849 0.400 1 665 66 66 GLU CG C 36.437 0.400 1 666 66 66 GLU N N 119.595 0.400 1 667 67 67 LYS H H 7.652 0.020 1 668 67 67 LYS HA H 4.072 0.020 1 669 67 67 LYS HB2 H 1.969 0.020 2 670 67 67 LYS HB3 H 1.969 0.020 2 671 67 67 LYS HD2 H 1.749 0.020 2 672 67 67 LYS HD3 H 1.749 0.020 2 673 67 67 LYS HE2 H 2.986 0.020 2 674 67 67 LYS HE3 H 2.986 0.020 2 675 67 67 LYS HG2 H 1.663 0.020 2 676 67 67 LYS HG3 H 1.457 0.020 2 677 67 67 LYS CA C 60.067 0.400 1 678 67 67 LYS CB C 32.854 0.400 1 679 67 67 LYS CD C 29.850 0.400 1 680 67 67 LYS CE C 42.450 0.400 1 681 67 67 LYS CG C 25.935 0.400 1 682 67 67 LYS N N 118.528 0.400 1 683 68 68 VAL H H 7.703 0.020 1 684 68 68 VAL HA H 3.755 0.020 1 685 68 68 VAL HB H 2.259 0.020 1 686 68 68 VAL HG1 H 1.192 0.020 2 687 68 68 VAL HG2 H 0.975 0.020 2 688 68 68 VAL CA C 66.926 0.400 1 689 68 68 VAL CB C 32.389 0.400 1 690 68 68 VAL CG1 C 24.041 0.400 1 691 68 68 VAL CG2 C 22.450 0.400 1 692 68 68 VAL N N 117.463 0.400 1 693 69 69 ARG H H 8.910 0.020 1 694 69 69 ARG HA H 3.717 0.020 1 695 69 69 ARG HB2 H 2.125 0.020 2 696 69 69 ARG HB3 H 1.772 0.020 2 697 69 69 ARG HD2 H 3.229 0.020 2 698 69 69 ARG HD3 H 2.973 0.020 2 699 69 69 ARG HG2 H 1.586 0.020 2 700 69 69 ARG HG3 H 1.586 0.020 2 701 69 69 ARG CA C 60.978 0.400 1 702 69 69 ARG CB C 30.785 0.400 1 703 69 69 ARG CD C 43.805 0.400 1 704 69 69 ARG CG C 28.450 0.400 1 705 69 69 ARG N N 121.753 0.400 1 706 70 70 GLN H H 7.966 0.020 1 707 70 70 GLN HA H 4.008 0.020 1 708 70 70 GLN HB2 H 2.186 0.020 2 709 70 70 GLN HB3 H 2.186 0.020 2 710 70 70 GLN HE21 H 7.729 0.020 2 711 70 70 GLN HE22 H 6.803 0.020 2 712 70 70 GLN HG2 H 2.625 0.020 2 713 70 70 GLN HG3 H 2.462 0.020 2 714 70 70 GLN CA C 59.255 0.400 1 715 70 70 GLN CB C 29.030 0.400 1 716 70 70 GLN CG C 34.530 0.400 1 717 70 70 GLN N N 115.180 0.400 1 718 70 70 GLN NE2 N 112.110 0.400 1 719 71 71 LYS H H 7.588 0.020 1 720 71 71 LYS HA H 4.209 0.020 1 721 71 71 LYS HB2 H 2.030 0.020 2 722 71 71 LYS HB3 H 1.903 0.020 2 723 71 71 LYS HD2 H 1.636 0.020 2 724 71 71 LYS HD3 H 1.636 0.020 2 725 71 71 LYS HE2 H 2.944 0.020 2 726 71 71 LYS HE3 H 2.944 0.020 2 727 71 71 LYS HG2 H 1.707 0.020 2 728 71 71 LYS HG3 H 1.482 0.020 2 729 71 71 LYS CA C 59.343 0.400 1 730 71 71 LYS CB C 33.716 0.400 1 731 71 71 LYS CD C 29.991 0.400 1 732 71 71 LYS CE C 42.495 0.400 1 733 71 71 LYS CG C 26.445 0.400 1 734 71 71 LYS N N 117.167 0.400 1 735 72 72 VAL H H 8.105 0.020 1 736 72 72 VAL HA H 3.943 0.020 1 737 72 72 VAL HB H 2.157 0.020 1 738 72 72 VAL HG1 H 1.013 0.020 2 739 72 72 VAL HG2 H 0.933 0.020 2 740 72 72 VAL CA C 65.263 0.400 1 741 72 72 VAL CB C 33.210 0.400 1 742 72 72 VAL CG1 C 23.093 0.400 1 743 72 72 VAL CG2 C 22.549 0.400 1 744 72 72 VAL N N 116.108 0.400 1 745 73 73 LEU H H 7.892 0.020 1 746 73 73 LEU HA H 4.420 0.020 1 747 73 73 LEU HB2 H 1.813 0.020 2 748 73 73 LEU HB3 H 1.633 0.020 2 749 73 73 LEU HD1 H 0.905 0.020 2 750 73 73 LEU HD2 H 0.894 0.020 2 751 73 73 LEU HG H 1.777 0.020 1 752 73 73 LEU CA C 55.673 0.400 1 753 73 73 LEU CB C 42.420 0.400 1 754 73 73 LEU CD1 C 26.320 0.400 1 755 73 73 LEU CD2 C 23.776 0.400 1 756 73 73 LEU CG C 27.253 0.400 1 757 73 73 LEU N N 118.372 0.400 1 758 74 74 ARG H H 7.669 0.020 1 759 74 74 ARG HA H 4.293 0.020 1 760 74 74 ARG HB2 H 1.964 0.020 2 761 74 74 ARG HB3 H 1.910 0.020 2 762 74 74 ARG HD2 H 3.210 0.020 2 763 74 74 ARG HD3 H 3.210 0.020 2 764 74 74 ARG HG2 H 1.680 0.020 2 765 74 74 ARG HG3 H 1.665 0.020 2 766 74 74 ARG CA C 56.973 0.400 1 767 74 74 ARG CB C 30.122 0.400 1 768 74 74 ARG CD C 44.032 0.400 1 769 74 74 ARG CG C 27.957 0.400 1 770 74 74 ARG N N 117.720 0.400 1 771 75 75 LEU H H 7.974 0.020 1 772 75 75 LEU HA H 4.415 0.020 1 773 75 75 LEU HB2 H 1.742 0.020 2 774 75 75 LEU HB3 H 1.608 0.020 2 775 75 75 LEU HD1 H 0.880 0.020 2 776 75 75 LEU HD2 H 0.851 0.020 2 777 75 75 LEU HG H 1.761 0.020 1 778 75 75 LEU CA C 55.570 0.400 1 779 75 75 LEU CB C 43.007 0.400 1 780 75 75 LEU CD2 C 23.743 0.400 1 781 75 75 LEU CG C 27.311 0.400 1 782 75 75 LEU N N 121.576 0.400 1 783 76 76 GLU H H 7.793 0.020 1 784 76 76 GLU HA H 4.125 0.020 1 785 76 76 GLU HB2 H 2.063 0.020 2 786 76 76 GLU HB3 H 1.924 0.020 2 787 76 76 GLU HG2 H 2.222 0.020 2 788 76 76 GLU HG3 H 2.222 0.020 2 789 76 76 GLU CA C 58.580 0.400 1 790 76 76 GLU CB C 31.997 0.400 1 791 76 76 GLU CG C 37.350 0.400 1 792 76 76 GLU N N 125.670 0.400 1 stop_ save_