data_6816 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C-terminal RpoN domain of aquifex aeolicus SIGMA-54 shows similarity to SIGMA-70 ; _BMRB_accession_number 6816 _BMRB_flat_file_name bmr6816.str _Entry_type original _Submission_date 2005-09-09 _Accession_date 2005-09-29 _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 Doucleff M. . . 2 Malak L. T. . 3 Pelton J. G. . 4 Wemmer D. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 362 "13C chemical shifts" 214 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-01-29 original author . stop_ _Original_release_date 2007-01-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The C-terminal RpoN domain of sigma54 forms an unpredicted helix-turn-helix motif similar to domains of sigma70. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16210314 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Doucleff M. . . 2 Malak L. T. . 3 Pelton J. G. . 4 Wemmer D. E. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 280 _Journal_issue 50 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 41530 _Page_last 41536 _Year 2005 _Details . loop_ _Keyword 'RNA polymerase' Sigma-54 'sigma factors' 'solution structure' transcription stop_ save_ ################################## # Molecular system description # ################################## save_system_Sigma-54 _Saveframe_category molecular_system _Mol_system_name 'RNA polymerase sigma factor RpoN' _Abbreviation_common 'RNA polymerase sigma factor RpoN' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA polymerase sigma factor RpoN' $Sigma-54 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sigma-54 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RNA polymerase sigma factor RpoN' _Abbreviation_common 'RNA polymerase sigma factor RpoN' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; TYSLRTFFVRESAEGLTQGE LMKLIKEIVENEDKRKPYSD QEIANILKEKGFKVARRTVA KYREMLGIPSSRERRI ; loop_ _Residue_seq_code _Residue_label 1 THR 2 TYR 3 SER 4 LEU 5 ARG 6 THR 7 PHE 8 PHE 9 VAL 10 ARG 11 GLU 12 SER 13 ALA 14 GLU 15 GLY 16 LEU 17 THR 18 GLN 19 GLY 20 GLU 21 LEU 22 MET 23 LYS 24 LEU 25 ILE 26 LYS 27 GLU 28 ILE 29 VAL 30 GLU 31 ASN 32 GLU 33 ASP 34 LYS 35 ARG 36 LYS 37 PRO 38 TYR 39 SER 40 ASP 41 GLN 42 GLU 43 ILE 44 ALA 45 ASN 46 ILE 47 LEU 48 LYS 49 GLU 50 LYS 51 GLY 52 PHE 53 LYS 54 VAL 55 ALA 56 ARG 57 ARG 58 THR 59 VAL 60 ALA 61 LYS 62 TYR 63 ARG 64 GLU 65 MET 66 LEU 67 GLY 68 ILE 69 PRO 70 SER 71 SER 72 ARG 73 GLU 74 ARG 75 ARG 76 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 15083 RNA_POLYMERASE_SIGMA_FACTOR_RPON 80.26 63 100.00 100.00 4.36e-34 PDB 2AHQ "Solution Structure Of The C-Terminal Rpon Domain Of Sigma- 54 From Aquifex Aeolicus" 100.00 76 100.00 100.00 1.28e-45 PDB 2O8K "Nmr Structure Of The Sigma-54 Rpon Domain Bound To The-24 Promoter Element" 80.26 63 100.00 100.00 4.36e-34 PDB 2O9L "Amber Refined Nmr Structure Of The Sigma-54 Rpon Domain Bound To The-24 Promoter Element" 80.26 63 100.00 100.00 4.36e-34 GB AAC06814 "RNA polymerase sigma factor RpoN [Aquifex aeolicus VF5]" 100.00 398 100.00 100.00 1.96e-42 REF NP_213418 "RNA polymerase sigma factor RpoN [Aquifex aeolicus VF5]" 100.00 398 100.00 100.00 1.96e-42 REF WP_010880356 "RNA polymerase sigma factor RpoN [Aquifex aeolicus]" 100.00 398 100.00 100.00 1.96e-42 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Sigma-54 'Aquifex aeolicus' 63363 Eubacteria . 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 $Sigma-54 'recombinant technology' 'Escherichia coli' Escherichia coli 'ROSETTA (BL21 (DE3) WITH PLYSS)' PET21A 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 $Sigma-54 0.8 mM [U-15N] Hepes 50 mM . NaCl 250 mM . EDTA 1 mM . H20 90 % . D20 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Sigma-54 0.8 mM '[U-13C; U-15N]' Hepes 50 mM . NaCl 250 mM . EDTA 1 mM . H20 90 % . D20 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Sigma-54 0.8 mM [U-15N] Hepes 50 mM . NaCl 250 mM . EDTA 1 mM . H20 5 % . D20 95 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Sigma-54 0.8 mM '[U-13C; U-15N]' Hepes 50 mM . NaCl 250 mM . EDTA 1 mM . H20 90 % . D20 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Task processing stop_ _Details 'Delaglio et al. (1995)' save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'data analysis' stop_ _Details 'Johnson & Blevins (1994)' save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task refinement 'structure solution' stop_ _Details 'Guntert et al. (1997)' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_N15-seperated_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D N15-seperated TOCSY' _Sample_label . save_ save_HNCA-J_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA-J _Sample_label . save_ save_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_3D_13C-separated_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_2D_C13-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D C13-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D N15-seperated TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA-J _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D C13-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 300 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 . indirect . . . 0.251449530 H2O H 1 protons ppm 4.77 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0 . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N-separated NOESY' '3D N15-seperated TOCSY' HNCA-J HCCH-TOCSY '3D 13C-separated NOESY' '2D C13-HSQC' stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'RNA polymerase sigma factor RpoN' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 TYR HD1 H 7.131 0.03 1 2 . 2 TYR HD2 H 7.131 0.03 1 3 . 2 TYR HE1 H 6.820 0.03 1 4 . 2 TYR HE2 H 6.820 0.03 1 5 . 3 SER CA C 58.073 0.3 1 6 . 3 SER HA H 4.391 0.03 1 7 . 3 SER CB C 64.137 0.3 1 8 . 3 SER HB3 H 3.768 0.03 1 9 . 4 LEU H H 8.201 0.03 1 10 . 4 LEU N N 124.509 0.3 1 11 . 4 LEU CA C 55.601 0.3 1 12 . 4 LEU HA H 4.326 0.03 1 13 . 4 LEU CB C 42.366 0.3 1 14 . 4 LEU HB3 H 1.62 0.03 1 15 . 4 LEU CD1 C 23.91 0.3 1 16 . 4 LEU HD1 H 0.885 0.03 1 17 . 4 LEU CD2 C 24.927 0.3 1 18 . 4 LEU HD2 H 0.941 0.03 1 19 . 5 ARG H H 8.282 0.03 1 20 . 5 ARG N N 121.41 0.3 1 21 . 5 ARG CA C 56.567 0.3 1 22 . 5 ARG HA H 4.315 0.03 1 23 . 5 ARG CB C 30.808 0.3 1 24 . 5 ARG HB3 H 1.768 0.03 1 25 . 5 ARG HG3 H 1.575 0.03 1 26 . 5 ARG HD3 H 3.159 0.03 1 27 . 6 THR H H 7.962 0.03 1 28 . 6 THR N N 114.352 0.3 1 29 . 6 THR CA C 62.131 0.3 1 30 . 6 THR HA H 4.238 0.03 1 31 . 6 THR CB C 69.95 0.3 1 32 . 6 THR HB H 4.082 0.03 1 33 . 6 THR CG2 C 21.58 0.3 1 34 . 6 THR HG2 H 1.06 0.03 1 35 . 7 PHE H H 8.077 0.03 1 36 . 7 PHE N N 122.122 0.3 1 37 . 7 PHE CA C 57.883 0.3 1 38 . 7 PHE HA H 4.588 0.03 1 39 . 7 PHE CB C 39.984 0.3 1 40 . 7 PHE HB3 H 2.984 0.03 1 41 . 7 PHE HD1 H 7.169 0.03 1 42 . 7 PHE HD2 H 7.169 0.03 1 43 . 8 PHE H H 8.114 0.03 1 44 . 8 PHE N N 121.754 0.3 1 45 . 8 PHE CA C 57.77 0.3 1 46 . 8 PHE HA H 4.588 0.03 1 47 . 8 PHE CB C 39.975 0.3 1 48 . 8 PHE HB2 H 2.967 0.03 2 49 . 8 PHE HB3 H 3.078 0.03 2 50 . 8 PHE HD1 H 7.202 0.03 1 51 . 8 PHE HD2 H 7.202 0.03 1 52 . 8 PHE HE1 H 7.309 0.03 1 53 . 8 PHE HE2 H 7.309 0.03 1 54 . 9 VAL H H 8.009 0.03 1 55 . 9 VAL N N 122.443 0.3 1 56 . 9 VAL CA C 62.542 0.3 1 57 . 9 VAL HA H 4.033 0.03 1 58 . 9 VAL CB C 32.952 0.3 1 59 . 9 VAL HB H 1.996 0.03 1 60 . 9 VAL CG2 C 21.197 0.3 1 61 . 9 VAL HG2 H 0.895 0.03 1 62 . 10 ARG H H 8.357 0.03 1 63 . 10 ARG N N 125.025 0.3 1 64 . 10 ARG CA C 56.479 0.3 1 65 . 10 ARG HA H 4.294 0.03 1 66 . 10 ARG CB C 31.012 0.3 1 67 . 10 ARG HB2 H 1.768 0.03 2 68 . 10 ARG HB3 H 1.85 0.03 2 69 . 10 ARG CG C 27.071 0.3 1 70 . 10 ARG HG3 H 1.631 0.03 1 71 . 10 ARG CD C 43.563 0.3 1 72 . 10 ARG HD3 H 3.2 0.03 1 73 . 11 GLU H H 8.584 0.03 1 74 . 11 GLU N N 122.099 0.3 1 75 . 11 GLU CA C 57.076 0.3 1 76 . 11 GLU HA H 4.292 0.03 1 77 . 11 GLU CB C 30.274 0.3 1 78 . 11 GLU HB2 H 1.957 0.03 2 79 . 11 GLU HB3 H 2.08 0.03 2 80 . 11 GLU CG C 36.409 0.3 1 81 . 11 GLU HG2 H 2.231 0.03 2 82 . 11 GLU HG3 H 2.27 0.03 2 83 . 12 SER H H 8.334 0.03 1 84 . 12 SER N N 116.209 0.3 1 85 . 12 SER CA C 58.158 0.3 1 86 . 12 SER HA H 4.481 0.03 1 87 . 12 SER CB C 64.262 0.3 1 88 . 12 SER HB2 H 3.909 0.03 2 89 . 12 SER HB3 H 3.861 0.03 2 90 . 13 ALA H H 8.478 0.03 1 91 . 13 ALA N N 123.591 0.3 1 92 . 13 ALA CA C 52.896 0.3 1 93 . 13 ALA HA H 4.394 0.03 1 94 . 13 ALA CB C 19.599 0.3 1 95 . 13 ALA HB H 1.42 0.03 1 96 . 14 GLU H H 8.414 0.03 1 97 . 14 GLU N N 119.0 0.3 1 98 . 14 GLU CA C 57.221 0.3 1 99 . 14 GLU HA H 4.292 0.03 1 100 . 14 GLU CB C 30.177 0.3 1 101 . 14 GLU HB2 H 1.983 0.03 2 102 . 14 GLU HB3 H 2.1 0.03 2 103 . 14 GLU CG C 36.463 0.3 1 104 . 14 GLU HG2 H 2.191 0.03 2 105 . 14 GLU HG3 H 2.288 0.03 2 106 . 15 GLY H H 8.319 0.03 1 107 . 15 GLY N N 109.204 0.3 1 108 . 15 GLY CA C 45.517 0.3 1 109 . 15 GLY HA2 H 4.069 0.03 2 110 . 15 GLY HA3 H 3.965 0.03 2 111 . 16 LEU H H 7.928 0.03 1 112 . 16 LEU N N 121.238 0.3 1 113 . 16 LEU CA C 54.879 0.3 1 114 . 16 LEU HA H 4.548 0.03 1 115 . 16 LEU CB C 43.854 0.3 1 116 . 16 LEU HB2 H 1.461 0.03 2 117 . 16 LEU HB3 H 1.513 0.03 2 118 . 16 LEU CG C 26.847 0.3 1 119 . 16 LEU CD1 C 25.461 0.3 1 120 . 16 LEU HD1 H 0.455 0.03 1 121 . 16 LEU CD2 C 23.81 0.3 1 122 . 16 LEU HD2 H 0.558 0.03 1 123 . 16 LEU HG H 1.461 0.03 1 124 . 17 THR H H 8.435 0.03 1 125 . 17 THR N N 114.077 0.3 1 126 . 17 THR CA C 61.328 0.3 1 127 . 17 THR HA H 4.458 0.03 1 128 . 17 THR CB C 71.181 0.3 1 129 . 17 THR HB H 4.577 0.03 1 130 . 17 THR CG2 C 21.899 0.3 1 131 . 17 THR HG2 H 1.305 0.03 1 132 . 18 GLN H H 8.842 0.03 1 133 . 18 GLN N N 121.273 0.3 1 134 . 18 GLN CA C 59.075 0.3 1 135 . 18 GLN HA H 4.131 0.03 1 136 . 18 GLN CB C 28.712 0.3 1 137 . 18 GLN HB2 H 2.086 0.03 2 138 . 18 GLN HB3 H 2.138 0.03 2 139 . 18 GLN CG C 34.025 0.3 1 140 . 18 GLN HG3 H 2.365 0.03 1 141 . 18 GLN NE2 N 111.781 0.3 1 142 . 18 GLN HE21 H 6.902 0.03 1 143 . 18 GLN HE22 H 7.335 0.03 1 144 . 19 GLY H H 8.613 0.03 1 145 . 19 GLY N N 106.26 0.3 1 146 . 19 GLY CA C 47.015 0.3 1 147 . 19 GLY HA2 H 3.813 0.03 1 148 . 20 GLU H H 7.777 0.03 1 149 . 20 GLU N N 122.099 0.3 1 150 . 20 GLU CA C 59.009 0.3 1 151 . 20 GLU HA H 3.973 0.03 1 152 . 20 GLU CB C 30.196 0.3 1 153 . 20 GLU HB2 H 1.885 0.03 2 154 . 20 GLU HB3 H 2.114 0.03 2 155 . 20 GLU CG C 36.971 0.3 1 156 . 20 GLU HG3 H 2.244 0.03 1 157 . 21 LEU H H 8.184 0.03 1 158 . 21 LEU N N 120.722 0.3 1 159 . 21 LEU CA C 58.029 0.3 1 160 . 21 LEU HA H 3.771 0.03 1 161 . 21 LEU CB C 40.839 0.3 1 162 . 21 LEU HB2 H 1.279 0.03 2 163 . 21 LEU HB3 H 1.473 0.03 2 164 . 21 LEU CG C 27.382 0.3 1 165 . 21 LEU CD1 C 25.429 0.3 1 166 . 21 LEU HD1 H 0.457 0.03 1 167 . 21 LEU CD2 C 23.984 0.3 1 168 . 21 LEU HD2 H 0.653 0.03 1 169 . 21 LEU HG H 1.135 0.03 1 170 . 22 MET H H 8.326 0.03 1 171 . 22 MET N N 119.212 0.3 1 172 . 22 MET CA C 59.385 0.3 1 173 . 22 MET HA H 3.897 0.03 1 174 . 22 MET CB C 32.523 0.3 1 175 . 22 MET HB3 H 2.129 0.03 1 176 . 22 MET CG C 32.959 0.3 1 177 . 22 MET HG2 H 2.452 0.03 2 178 . 22 MET HG3 H 2.556 0.03 2 179 . 22 MET CE C 17.712 0.3 1 180 . 22 MET HE H 2.024 0.03 1 181 . 23 LYS H H 7.438 0.03 1 182 . 23 LYS N N 118.484 0.3 1 183 . 23 LYS CA C 59.935 0.3 1 184 . 23 LYS HA H 3.901 0.03 1 185 . 23 LYS CB C 32.522 0.3 1 186 . 23 LYS HB3 H 1.884 0.03 1 187 . 23 LYS CG C 25.05 0.3 1 188 . 23 LYS HG2 H 1.357 0.03 2 189 . 23 LYS HG3 H 1.539 0.03 2 190 . 23 LYS CD C 29.552 0.3 1 191 . 23 LYS HD3 H 1.648 0.03 1 192 . 23 LYS CE C 42.221 0.3 1 193 . 23 LYS HE3 H 2.948 0.03 1 194 . 24 LEU H H 7.774 0.03 1 195 . 24 LEU N N 119.344 0.3 1 196 . 24 LEU CA C 57.932 0.3 1 197 . 24 LEU HA H 4.056 0.03 1 198 . 24 LEU CB C 42.695 0.3 1 199 . 24 LEU HB2 H 1.227 0.03 2 200 . 24 LEU HB3 H 1.748 0.03 2 201 . 24 LEU CG C 27.315 0.3 1 202 . 24 LEU CD1 C 25.557 0.3 1 203 . 24 LEU HD1 H 0.418 0.03 1 204 . 24 LEU CD2 C 23.531 0.3 1 205 . 24 LEU HD2 H 0.718 0.03 1 206 . 24 LEU HG H 1.631 0.03 1 207 . 25 ILE H H 8.27 0.03 1 208 . 25 ILE N N 118.282 0.3 1 209 . 25 ILE CA C 66.253 0.3 1 210 . 25 ILE HA H 3.482 0.03 1 211 . 25 ILE CB C 37.731 0.3 1 212 . 25 ILE HB H 1.787 0.03 1 213 . 25 ILE CG2 C 17.062 0.3 1 214 . 25 ILE HG2 H 0.809 0.03 1 215 . 25 ILE CG1 C 30.692 0.3 1 216 . 25 ILE HG12 H 0.718 0.03 1 217 . 25 ILE HG13 H 1.787 0.03 1 218 . 25 ILE CD1 C 14.283 0.3 1 219 . 25 ILE HD1 H 0.713 0.03 1 220 . 26 LYS H H 8.451 0.03 1 221 . 26 LYS N N 120.277 0.3 1 222 . 26 LYS CA C 60.305 0.3 1 223 . 26 LYS HA H 3.855 0.03 1 224 . 26 LYS CB C 32.754 0.3 1 225 . 26 LYS HB3 H 1.987 0.03 1 226 . 26 LYS CG C 25.15 0.3 1 227 . 26 LYS HG2 H 1.415 0.03 2 228 . 26 LYS HG3 H 1.521 0.03 2 229 . 26 LYS CD C 29.727 0.3 1 230 . 26 LYS HD3 H 1.662 0.03 1 231 . 26 LYS CE C 42.26 0.3 1 232 . 26 LYS HE3 H 2.987 0.03 1 233 . 27 GLU H H 7.748 0.03 1 234 . 27 GLU N N 117.278 0.3 1 235 . 27 GLU CA C 59.297 0.3 1 236 . 27 GLU HA H 4.041 0.03 1 237 . 27 GLU CB C 29.666 0.3 1 238 . 27 GLU HB3 H 2.165 0.03 1 239 . 27 GLU CG C 36.523 0.3 1 240 . 27 GLU HG3 H 2.452 0.03 1 241 . 28 ILE H H 7.796 0.03 1 242 . 28 ILE N N 119.786 0.3 1 243 . 28 ILE CA C 65.105 0.3 1 244 . 28 ILE HA H 3.775 0.03 1 245 . 28 ILE CB C 38.884 0.3 1 246 . 28 ILE HB H 1.915 0.03 1 247 . 28 ILE CG2 C 18.304 0.3 1 248 . 28 ILE HG2 H 0.748 0.03 1 249 . 28 ILE CG1 C 29.241 0.3 1 250 . 28 ILE HG12 H 1.911 0.03 1 251 . 28 ILE HG13 H 1.007 0.03 1 252 . 28 ILE CD1 C 15.001 0.3 1 253 . 28 ILE HD1 H 0.692 0.03 1 254 . 29 VAL H H 8.432 0.03 1 255 . 29 VAL N N 116.59 0.3 1 256 . 29 VAL CA C 65.949 0.3 1 257 . 29 VAL HA H 3.834 0.03 1 258 . 29 VAL CB C 31.688 0.3 1 259 . 29 VAL HB H 2.254 0.03 1 260 . 29 VAL CG1 C 21.68 0.3 1 261 . 29 VAL HG1 H 1.031 0.03 1 262 . 29 VAL CG2 C 21.68 0.3 1 263 . 29 VAL HG2 H 0.976 0.03 1 264 . 30 GLU H H 8.451 0.03 1 265 . 30 GLU N N 120.377 0.3 1 266 . 30 GLU CA C 59.089 0.3 1 267 . 30 GLU HA H 4.139 0.03 1 268 . 30 GLU CB C 29.31 0.3 1 269 . 30 GLU HB2 H 2.035 0.03 2 270 . 30 GLU HB3 H 2.201 0.03 2 271 . 30 GLU CG C 36.65 0.3 1 272 . 30 GLU HG2 H 2.348 0.03 2 273 . 30 GLU HG3 H 2.454 0.03 2 274 . 31 ASN H H 7.435 0.03 1 275 . 31 ASN N N 114.67 0.3 1 276 . 31 ASN CA C 53.109 0.3 1 277 . 31 ASN HA H 4.947 0.03 1 278 . 31 ASN CB C 40.289 0.3 1 279 . 31 ASN HB2 H 2.793 0.03 2 280 . 31 ASN HB3 H 3.042 0.03 2 281 . 31 ASN ND2 N 115.219 0.3 1 282 . 31 ASN HD21 H 7.123 0.03 1 283 . 31 ASN HD22 H 7.856 0.03 1 284 . 32 GLU H H 7.485 0.03 1 285 . 32 GLU N N 121.238 0.3 1 286 . 32 GLU CA C 55.837 0.3 1 287 . 32 GLU HA H 4.027 0.03 1 288 . 32 GLU CB C 30.827 0.3 1 289 . 32 GLU HB2 H 1.916 0.03 2 290 . 32 GLU HB3 H 2.074 0.03 2 291 . 32 GLU CG C 34.674 0.3 1 292 . 32 GLU HG2 H 1.649 0.03 2 293 . 32 GLU HG3 H 2.336 0.03 2 294 . 33 ASP H H 8.164 0.03 1 295 . 33 ASP N N 122.443 0.3 1 296 . 33 ASP CA C 53.251 0.3 1 297 . 33 ASP HA H 4.514 0.03 1 298 . 33 ASP CB C 41.206 0.3 1 299 . 33 ASP HB2 H 2.507 0.03 2 300 . 33 ASP HB3 H 2.726 0.03 2 301 . 34 LYS H H 8.69 0.03 1 302 . 34 LYS N N 125.714 0.3 1 303 . 34 LYS CA C 57.474 0.3 1 304 . 34 LYS HA H 3.878 0.03 1 305 . 34 LYS CB C 31.698 0.3 1 306 . 34 LYS HB3 H 1.866 0.03 1 307 . 34 LYS CG C 24.827 0.3 1 308 . 34 LYS HG2 H 1.539 0.03 2 309 . 34 LYS HG3 H 1.579 0.03 2 310 . 34 LYS CD C 28.422 0.3 1 311 . 34 LYS HD3 H 1.663 0.03 1 312 . 34 LYS CE C 42.511 0.3 1 313 . 34 LYS HE3 H 3.052 0.03 1 314 . 35 ARG H H 8.428 0.03 1 315 . 35 ARG N N 117.122 0.3 1 316 . 35 ARG CA C 57.095 0.3 1 317 . 35 ARG HA H 4.192 0.03 1 318 . 35 ARG CB C 30.327 0.3 1 319 . 35 ARG HB2 H 1.829 0.03 2 320 . 35 ARG HB3 H 1.89 0.03 2 321 . 35 ARG CG C 27.016 0.3 1 322 . 35 ARG HG3 H 1.673 0.03 1 323 . 35 ARG CD C 43.367 0.3 1 324 . 35 ARG HD3 H 3.208 0.03 1 325 . 36 LYS H H 7.502 0.03 1 326 . 36 LYS N N 119.516 0.3 1 327 . 36 LYS CA C 53.785 0.3 1 328 . 36 LYS HA H 4.472 0.03 1 329 . 36 LYS CB C 32.698 0.3 1 330 . 36 LYS HB3 H 1.748 0.03 1 331 . 36 LYS CG C 24.799 0.3 1 332 . 36 LYS HG3 H 1.279 0.03 1 333 . 36 LYS CD C 42.256 0.3 1 334 . 36 LYS HD3 H 1.435 0.03 1 335 . 36 LYS HE3 H 2.994 0.03 1 336 . 37 PRO CA C 63.026 0.3 1 337 . 37 PRO HA H 4.017 0.03 1 338 . 37 PRO CB C 32.531 0.3 1 339 . 37 PRO HB2 H 1.841 0.03 2 340 . 37 PRO HB3 H 2.169 0.03 2 341 . 37 PRO CG C 27.373 0.3 1 342 . 37 PRO HG3 H 1.841 0.03 1 343 . 37 PRO CD C 50.153 0.3 1 344 . 37 PRO HD2 H 3.445 0.03 1 345 . 37 PRO HD3 H 3.297 0.03 1 346 . 38 TYR H H 8.697 0.03 1 347 . 38 TYR N N 120.205 0.3 1 348 . 38 TYR CA C 57.976 0.3 1 349 . 38 TYR HA H 4.858 0.03 1 350 . 38 TYR CB C 39.716 0.3 1 351 . 38 TYR HB2 H 2.674 0.03 2 352 . 38 TYR HB3 H 3.256 0.03 2 353 . 38 TYR HD1 H 7.163 0.03 1 354 . 38 TYR HD2 H 7.163 0.03 1 355 . 38 TYR HE1 H 6.866 0.03 1 356 . 38 TYR HE2 H 6.866 0.03 1 357 . 39 SER H H 9.596 0.03 1 358 . 39 SER N N 120.367 0.3 1 359 . 39 SER CA C 56.998 0.3 1 360 . 39 SER HA H 4.668 0.03 1 361 . 39 SER CB C 65.457 0.3 1 362 . 39 SER HB2 H 4.126 0.03 2 363 . 39 SER HB3 H 4.499 0.03 2 364 . 40 ASP H H 8.953 0.03 1 365 . 40 ASP N N 115.901 0.3 1 366 . 40 ASP CA C 58.29 0.3 1 367 . 40 ASP HA H 4.306 0.03 1 368 . 40 ASP CB C 40.289 0.3 1 369 . 40 ASP HB2 H 2.633 0.03 2 370 . 40 ASP HB3 H 2.563 0.03 2 371 . 41 GLN H H 8.711 0.03 1 372 . 41 GLN N N 118.832 0.3 1 373 . 41 GLN CA C 58.293 0.3 1 374 . 41 GLN HA H 3.874 0.03 1 375 . 41 GLN CB C 28.944 0.3 1 376 . 41 GLN HB2 H 2.15 0.03 2 377 . 41 GLN HB3 H 1.973 0.03 2 378 . 41 GLN CG C 33.74 0.3 1 379 . 41 GLN HG2 H 2.294 0.03 2 380 . 41 GLN HG3 H 2.452 0.03 2 381 . 41 GLN NE2 N 111.094 0.3 1 382 . 41 GLN HE21 H 7.808 0.03 1 383 . 41 GLN HE22 H 7.068 0.03 1 384 . 42 GLU H H 8.065 0.03 1 385 . 42 GLU N N 120.377 0.3 1 386 . 42 GLU CA C 59.931 0.3 1 387 . 42 GLU HA H 4.001 0.03 1 388 . 42 GLU CB C 29.645 0.3 1 389 . 42 GLU HB2 H 1.979 0.03 2 390 . 42 GLU HB3 H 2.532 0.03 2 391 . 42 GLU CG C 37.982 0.3 1 392 . 42 GLU HG2 H 2.45 0.03 2 393 . 42 GLU HG3 H 2.386 0.03 2 394 . 43 ILE H H 8.044 0.03 1 395 . 43 ILE N N 118.828 0.3 1 396 . 43 ILE CA C 66.507 0.3 1 397 . 43 ILE HA H 3.424 0.03 1 398 . 43 ILE CB C 37.199 0.3 1 399 . 43 ILE HB H 1.992 0.03 1 400 . 43 ILE CG2 C 17.721 0.3 1 401 . 43 ILE HG2 H 0.783 0.03 1 402 . 43 ILE CG1 C 29.26 0.3 1 403 . 43 ILE HG12 H 0.656 0.03 1 404 . 43 ILE HG13 H 1.873 0.03 1 405 . 43 ILE CD1 C 13.44 0.3 1 406 . 43 ILE HD1 H 0.761 0.03 1 407 . 44 ALA H H 8.325 0.03 1 408 . 44 ALA N N 122.099 0.3 1 409 . 44 ALA CA C 56.003 0.3 1 410 . 44 ALA HA H 3.871 0.03 1 411 . 44 ALA CB C 16.78 0.3 1 412 . 44 ALA HB H 1.494 0.03 1 413 . 45 ASN H H 8.534 0.03 1 414 . 45 ASN N N 119.00 0.3 1 415 . 45 ASN CA C 55.983 0.3 1 416 . 45 ASN HA H 4.519 0.03 1 417 . 45 ASN CB C 37.467 0.3 1 418 . 45 ASN HB2 H 2.949 0.03 2 419 . 45 ASN HB3 H 3.07 0.03 2 420 . 45 ASN ND2 N 114.875 0.3 1 421 . 45 ASN HD21 H 7.104 0.03 1 422 . 45 ASN HD22 H 7.387 0.03 1 423 . 46 ILE H H 8.089 0.03 1 424 . 46 ILE N N 125.025 0.3 1 425 . 46 ILE CA C 65.814 0.3 1 426 . 46 ILE HA H 3.735 0.03 1 427 . 46 ILE CB C 38.569 0.3 1 428 . 46 ILE HB H 1.796 0.03 1 429 . 46 ILE CG2 C 17.493 0.3 1 430 . 46 ILE HG2 H 0.844 0.03 1 431 . 46 ILE CG1 C 29.556 0.3 1 432 . 46 ILE HG12 H 1.735 0.03 1 433 . 46 ILE HG13 H 0.922 0.03 1 434 . 46 ILE CD1 C 13.474 0.3 1 435 . 46 ILE HD1 H 0.366 0.03 1 436 . 47 LEU H H 8.325 0.03 1 437 . 47 LEU N N 119.516 0.3 1 438 . 47 LEU CA C 58.709 0.3 1 439 . 47 LEU HA H 3.973 0.03 1 440 . 47 LEU CB C 40.758 0.3 1 441 . 47 LEU HB2 H 1.461 0.03 2 442 . 47 LEU HB3 H 2.022 0.03 2 443 . 47 LEU CG C 27.044 0.3 1 444 . 47 LEU CD1 C 24.088 0.3 1 445 . 47 LEU HD1 H 0.65 0.03 1 446 . 47 LEU CD2 C 26.638 0.3 1 447 . 47 LEU HD2 H 0.616 0.03 1 448 . 47 LEU HG H 1.683 0.03 1 449 . 48 LYS H H 8.17 0.03 1 450 . 48 LYS N N 121.41 0.3 1 451 . 48 LYS CA C 59.503 0.3 1 452 . 48 LYS HA H 4.31 0.03 1 453 . 48 LYS CB C 31.986 0.3 1 454 . 48 LYS HB3 H 2.124 0.03 1 455 . 48 LYS CG C 24.888 0.3 1 456 . 48 LYS HG2 H 1.523 0.03 2 457 . 48 LYS HG3 H 1.425 0.03 2 458 . 48 LYS CD C 29.49 0.3 1 459 . 48 LYS HD2 H 1.707 0.03 1 460 . 48 LYS HD3 H 1.772 0.03 1 461 . 48 LYS CE C 42.336 0.3 1 462 . 48 LYS HE3 H 3.0 0.03 1 463 . 49 GLU H H 7.896 0.03 1 464 . 49 GLU N N 121.733 0.3 1 465 . 49 GLU CA C 59.11 0.3 1 466 . 49 GLU HA H 4.088 0.03 1 467 . 49 GLU CB C 29.027 0.3 1 468 . 49 GLU HB3 H 2.279 0.03 1 469 . 49 GLU CG C 36.342 0.3 1 470 . 49 GLU HG3 H 2.484 0.03 1 471 . 50 LYS H H 7.597 0.03 1 472 . 50 LYS N N 116.934 0.3 1 473 . 50 LYS CA C 56.522 0.3 1 474 . 50 LYS HA H 4.274 0.03 1 475 . 50 LYS CB C 33.222 0.3 1 476 . 50 LYS HB2 H 2.191 0.03 2 477 . 50 LYS HB3 H 2.087 0.03 2 478 . 50 LYS CG C 25.442 0.3 1 479 . 50 LYS HG3 H 1.605 0.03 1 480 . 50 LYS CD C 29.624 0.3 1 481 . 50 LYS HD3 H 1.7 0.03 1 482 . 50 LYS CE C 42.034 0.3 1 483 . 50 LYS HE2 H 2.895 0.03 1 484 . 50 LYS HE3 H 3.017 0.03 1 485 . 51 GLY H H 7.697 0.03 1 486 . 51 GLY N N 105.227 0.3 1 487 . 51 GLY CA C 44.856 0.3 1 488 . 51 GLY HA2 H 3.97 0.03 2 489 . 51 GLY HA3 H 3.504 0.03 2 490 . 52 PHE H H 8.185 0.03 1 491 . 52 PHE N N 120.722 0.3 1 492 . 52 PHE CA C 56.617 0.3 1 493 . 52 PHE HA H 4.837 0.03 1 494 . 52 PHE CB C 41.261 0.3 1 495 . 52 PHE HB2 H 2.543 0.03 2 496 . 52 PHE HB3 H 2.807 0.03 2 497 . 52 PHE HD1 H 7.066 0.03 1 498 . 52 PHE HD2 H 7.066 0.03 1 499 . 52 PHE HE1 H 7.210 0.03 1 500 . 52 PHE HE2 H 7.210 0.03 1 501 . 53 LYS H H 8.822 0.03 1 502 . 53 LYS N N 125.37 0.3 1 503 . 53 LYS CA C 56.045 0.3 1 504 . 53 LYS HA H 4.31 0.03 1 505 . 53 LYS CB C 32.039 0.3 1 506 . 53 LYS HB3 H 1.803 0.03 1 507 . 53 LYS CG C 24.944 0.3 1 508 . 53 LYS HG2 H 1.273 0.03 2 509 . 53 LYS HG3 H 1.404 0.03 2 510 . 53 LYS CD C 29.396 0.3 1 511 . 53 LYS HD3 H 1.704 0.03 1 512 . 53 LYS CE C 42.253 0.3 1 513 . 53 LYS HE3 H 2.977 0.03 1 514 . 54 VAL H H 8.378 0.03 1 515 . 54 VAL N N 125.714 0.3 1 516 . 54 VAL CA C 60.569 0.3 1 517 . 54 VAL HA H 4.347 0.03 1 518 . 54 VAL CB C 34.862 0.3 1 519 . 54 VAL HB H 1.812 0.03 1 520 . 54 VAL CG1 C 21.797 0.3 1 521 . 54 VAL HG1 H 0.879 0.03 1 522 . 54 VAL CG2 C 21.468 0.3 1 523 . 54 VAL HG2 H 0.784 0.03 1 524 . 55 ALA H H 8.536 0.03 1 525 . 55 ALA N N 128.296 0.3 1 526 . 55 ALA CA C 51.83 0.3 1 527 . 55 ALA HA H 4.442 0.03 1 528 . 55 ALA CB C 19.517 0.3 1 529 . 55 ALA HB H 1.605 0.03 1 530 . 56 ARG H H 9.041 0.03 1 531 . 56 ARG N N 123.992 0.3 1 532 . 56 ARG CA C 60.68 0.3 1 533 . 56 ARG HA H 3.681 0.03 1 534 . 56 ARG CB C 29.583 0.3 1 535 . 56 ARG HB3 H 1.906 0.03 1 536 . 56 ARG CG C 26.697 0.3 1 537 . 56 ARG CD C 43.539 0.3 1 538 . 57 ARG H H 8.661 0.03 1 539 . 57 ARG N N 116.095 0.3 1 540 . 57 ARG CA C 58.939 0.3 1 541 . 57 ARG HA H 4.135 0.03 1 542 . 57 ARG CB C 29.562 0.3 1 543 . 57 ARG HB3 H 1.839 0.03 1 544 . 57 ARG CG C 27.148 0.3 1 545 . 57 ARG HG3 H 1.67 0.03 1 546 . 57 ARG CD C 43.397 0.3 1 547 . 57 ARG HD3 H 3.214 0.03 1 548 . 58 THR H H 7.215 0.03 1 549 . 58 THR N N 118.285 0.3 1 550 . 58 THR CA C 65.912 0.3 1 551 . 58 THR HA H 3.968 0.03 1 552 . 58 THR CB C 68.208 0.3 1 553 . 58 THR HB H 4.365 0.03 1 554 . 58 THR CG2 C 23.093 0.3 1 555 . 58 THR HG2 H 1.148 0.03 1 556 . 59 VAL H H 7.651 0.03 1 557 . 59 VAL N N 121.238 0.3 1 558 . 59 VAL CA C 67.74 0.3 1 559 . 59 VAL HA H 3.333 0.03 1 560 . 59 VAL CB C 31.427 0.3 1 561 . 59 VAL HB H 2.309 0.03 1 562 . 59 VAL CG1 C 21.936 0.3 1 563 . 59 VAL HG1 H 1.031 0.03 1 564 . 59 VAL CG2 C 22.955 0.3 1 565 . 59 VAL HG2 H 0.835 0.03 1 566 . 60 ALA H H 8.093 0.03 1 567 . 60 ALA N N 119.861 0.3 1 568 . 60 ALA CA C 55.63 0.3 1 569 . 60 ALA HA H 3.988 0.03 1 570 . 60 ALA CB C 18.53 0.3 1 571 . 60 ALA HB H 1.502 0.03 1 572 . 61 LYS H H 7.485 0.03 1 573 . 61 LYS N N 117.795 0.3 1 574 . 61 LYS CA C 58.766 0.3 1 575 . 61 LYS HA H 4.072 0.03 1 576 . 61 LYS CB C 32.039 0.3 1 577 . 61 LYS HB3 H 1.878 0.03 1 578 . 61 LYS CG C 24.493 0.3 1 579 . 61 LYS HG2 H 1.208 0.03 2 580 . 61 LYS HG3 H 1.421 0.03 2 581 . 61 LYS CD C 28.981 0.3 1 582 . 61 LYS HD3 H 1.601 0.03 1 583 . 61 LYS CE C 42.181 0.3 1 584 . 61 LYS HE3 H 2.855 0.03 1 585 . 62 TYR H H 8.044 0.03 1 586 . 62 TYR N N 118.656 0.3 1 587 . 62 TYR CA C 61.513 0.3 1 588 . 62 TYR HA H 4.304 0.03 1 589 . 62 TYR CB C 38.28 0.3 1 590 . 62 TYR HB2 H 2.881 0.03 2 591 . 62 TYR HB3 H 2.956 0.03 2 592 . 62 TYR HD1 H 7.167 0.03 1 593 . 62 TYR HD2 H 7.167 0.03 1 594 . 62 TYR HE1 H 6.768 0.03 1 595 . 62 TYR HE2 H 6.768 0.03 1 596 . 63 ARG H H 8.877 0.03 1 597 . 63 ARG N N 119.344 0.3 1 598 . 63 ARG CA C 60.031 0.3 1 599 . 63 ARG HA H 3.952 0.03 1 600 . 63 ARG CB C 30.217 0.3 1 601 . 63 ARG HB3 H 1.95 0.03 1 602 . 63 ARG CG C 27.32 0.3 1 603 . 63 ARG HG2 H 1.621 0.03 2 604 . 63 ARG HG3 H 1.792 0.03 2 605 . 63 ARG CD C 43.722 0.3 1 606 . 63 ARG HD2 H 3.039 0.03 2 607 . 63 ARG HD3 H 3.207 0.03 2 608 . 64 GLU H H 7.701 0.03 1 609 . 64 GLU N N 118.311 0.3 1 610 . 64 GLU CA C 58.836 0.3 1 611 . 64 GLU HA H 4.139 0.03 1 612 . 64 GLU CB C 29.506 0.3 1 613 . 64 GLU HB3 H 2.165 0.03 1 614 . 64 GLU CG C 36.298 0.3 1 615 . 64 GLU HG2 H 2.296 0.03 2 616 . 64 GLU HG3 H 2.454 0.03 2 617 . 65 MET H H 7.544 0.03 1 618 . 65 MET N N 116.934 0.3 1 619 . 65 MET CA C 57.26 0.3 1 620 . 65 MET HA H 4.274 0.03 1 621 . 65 MET CB C 33.531 0.3 1 622 . 65 MET HB3 H 2.191 0.03 1 623 . 65 MET CG C 32.243 0.3 1 624 . 65 MET HG2 H 2.543 0.03 2 625 . 65 MET HG3 H 2.679 0.03 2 626 . 65 MET CE C 16.597 0.3 1 627 . 65 MET HE H 1.885 0.03 1 628 . 66 LEU H H 7.594 0.03 1 629 . 66 LEU N N 119.516 0.3 1 630 . 66 LEU CA C 56.061 0.3 1 631 . 66 LEU HA H 4.24 0.03 1 632 . 66 LEU CB C 42.74 0.3 1 633 . 66 LEU HB2 H 1.657 0.03 2 634 . 66 LEU HB3 H 1.9 0.03 2 635 . 66 LEU CG C 27.382 0.3 1 636 . 66 LEU CD1 C 23.344 0.3 1 637 . 66 LEU HD1 H 0.899 0.03 1 638 . 66 LEU CD2 C 25.756 0.3 1 639 . 66 LEU HD2 H 0.902 0.03 1 640 . 66 LEU HG H 1.657 0.03 1 641 . 67 GLY H H 7.605 0.03 1 642 . 67 GLY N N 113.147 0.3 1 643 . 67 GLY HA2 H 3.772 0.03 1 stop_ save_