data_4678 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the RNA Polymerase Subunit RPB5 from Methanobacterium thermoautotrophicum ; _BMRB_accession_number 4678 _BMRB_flat_file_name bmr4678.str _Entry_type new _Submission_date 2000-03-03 _Accession_date 2000-03-03 _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 Yee Adelinda . . 2 Booth Valerie . . 3 Dharamsi Akil . . 4 Engel Asaph . . 5 Edwards Aled M. . 6 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" 466 "13C chemical shifts" 269 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-07-16 update BMRB 'added time domain data' 2000-12-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Yee, A., Booth, V., Dharamsi, A., Engel, A., Edwards, A.M., Arrowsmith, C.H., "Solution Structure of the RNA Polymerase Subunit RPB5 from Methanobacterium thermoautotrophicum," Proc. Natl. Acad. Sci. U.S.A. 97, 6311-6315 (2000). ; _Citation_title ; Solution Structure of the RNA Polymerase Subunit RPB5 from Methanobacterium thermoautotrophicum ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20300897 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yee Adelinda . . 2 Booth Valerie . . 3 Dharamsi Akil . . 4 Engel Asaph . . 5 Edwards Aled M. . 6 Arrowsmith Cheryl . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 97 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6311 _Page_last 6315 _Year 2000 _Details . loop_ _Keyword rnap 'rna polymerase' mt 'methanobacterium thermoautotrophicum' stop_ save_ ################################## # Molecular system description # ################################## save_system_rpb5 _Saveframe_category molecular_system _Mol_system_name mtrpbH _Abbreviation_common rpb5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rpb5 $rpb5 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_rpb5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'rna polymerase subunit 5' _Abbreviation_common rpb5 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; MKREILKHQLVPEHVILNES EAKRVLKELDAHPEQLPKIK TTDPVAKAIGAKRGDIVKII RKSPTAEEFVTYRLVQD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ARG 4 GLU 5 ILE 6 LEU 7 LYS 8 HIS 9 GLN 10 LEU 11 VAL 12 PRO 13 GLU 14 HIS 15 VAL 16 ILE 17 LEU 18 ASN 19 GLU 20 SER 21 GLU 22 ALA 23 LYS 24 ARG 25 VAL 26 LEU 27 LYS 28 GLU 29 LEU 30 ASP 31 ALA 32 HIS 33 PRO 34 GLU 35 GLN 36 LEU 37 PRO 38 LYS 39 ILE 40 LYS 41 THR 42 THR 43 ASP 44 PRO 45 VAL 46 ALA 47 LYS 48 ALA 49 ILE 50 GLY 51 ALA 52 LYS 53 ARG 54 GLY 55 ASP 56 ILE 57 VAL 58 LYS 59 ILE 60 ILE 61 ARG 62 LYS 63 SER 64 PRO 65 THR 66 ALA 67 GLU 68 GLU 69 PHE 70 VAL 71 THR 72 TYR 73 ARG 74 LEU 75 VAL 76 GLN 77 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-13 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 1EIK "Solution Structure Of Rna Polymerase Subunit Rpb5 From Methanobacterium Thermoautotrophicum" 100.00 77 100.00 100.00 6.66e-46 DBJ BAM70200 "DNA-directed RNA polymerase subunit H [Methanothermobacter sp. CaT2]" 100.00 77 98.70 100.00 1.47e-45 GB AAB85539 "DNA-dependent RNA polymerase, subunit H [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 77 100.00 100.00 6.66e-46 REF WP_010876674 "DNA-directed RNA polymerase subunit H [Methanothermobacter thermautotrophicus]" 100.00 77 100.00 100.00 6.66e-46 REF WP_048175656 "DNA-directed RNA polymerase subunit H [Methanothermobacter sp. CaT2]" 100.00 77 98.70 100.00 1.47e-45 SP O27122 "RecName: Full=DNA-directed RNA polymerase subunit H; AltName: Full=RPB5" 100.00 77 100.00 100.00 6.66e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rpb5 'Methanobacterium thermoautotrophicum' 2166 Archaea . 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_name $rpb5 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $rpb5 1 mM 0.7 1.2 '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_nmrview _Saveframe_category software _Name nmrview _Version 3.0 loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HBCBCACONNH_2 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCACONNH _Sample_label . save_ save_HCCHTOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label . save_ save_HCCTOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCTOCSY _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CCC-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY _Sample_label . save_ save_15N-DIPSI_7 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-DIPSI _Sample_label . save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_2 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCACONNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_3 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_5 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spectrometer_expt_6 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-DIPSI _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 298 1 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 H2O H 1 protons ppm 4.772 internal direct spherical internal parallel_to_Bo 'sodium acetate' C 13 'methyl carbons' ppm 25.85 external_to_the_sample direct spherical external_to_the_sample parallel_to_Bo . N 15 . ppm . . . . . . 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_assignment_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name rpb5 _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 HA H 4.10 . . 2 . 1 MET CA C 62.24 . . 3 . 1 MET HB2 H 2.06 . . 4 . 1 MET HB3 H 2.06 . . 5 . 1 MET CB C 32.71 . . 6 . 1 MET HG2 H 0.94 . . 7 . 1 MET HG3 H 0.94 . . 8 . 1 MET CG C 20.83 . . 9 . 2 LYS HA H 4.32 . . 10 . 2 LYS CA C 56.20 . . 11 . 2 LYS HB2 H 1.79 . . 12 . 2 LYS HB3 H 1.79 . . 13 . 2 LYS CB C 32.79 . . 14 . 2 LYS HG2 H 1.42 . . 15 . 2 LYS HG3 H 1.42 . . 16 . 2 LYS CG C 24.71 . . 17 . 2 LYS HD2 H 1.69 . . 18 . 2 LYS HD3 H 1.69 . . 19 . 2 LYS CD C 29.14 . . 20 . 2 LYS HE2 H 3.01 . . 21 . 2 LYS HE3 H 3.01 . . 22 . 2 LYS CE C 42.05 . . 23 . 2 LYS H H 8.40 . . 24 . 2 LYS N N 128.75 . . 25 . 3 ARG HA H 4.35 . . 26 . 3 ARG CA C 55.98 . . 27 . 3 ARG HB2 H 1.77 . . 28 . 3 ARG HB3 H 1.77 . . 29 . 3 ARG CB C 30.73 . . 30 . 3 ARG HG2 H 1.62 . . 31 . 3 ARG HG3 H 1.62 . . 32 . 3 ARG CG C 27.09 . . 33 . 3 ARG HD2 H 3.21 . . 34 . 3 ARG HD3 H 3.21 . . 35 . 3 ARG CD C 43.16 . . 36 . 3 ARG H H 8.36 . . 37 . 3 ARG N N 126.06 . . 38 . 4 GLU HA H 4.29 . . 39 . 4 GLU CA C 56.36 . . 40 . 4 GLU H H 8.49 . . 41 . 4 GLU N N 125.61 . . 42 . 4 GLU HB2 H 2.24 . . 43 . 4 GLU HB3 H 2.24 . . 44 . 4 GLU CB C 30.33 . . 45 . 4 GLU HG2 H 2.24 . . 46 . 4 GLU HG3 H 2.24 . . 47 . 4 GLU CG C 35.95 . . 48 . 5 ILE HA H 4.13 . . 49 . 5 ILE CA C 61.05 . . 50 . 5 ILE HB H 1.85 . . 51 . 5 ILE CB C 38.33 . . 52 . 5 ILE HG13 H 1.20 . . 53 . 5 ILE CG1 C 27.24 . . 54 . 5 ILE HG12 H 1.49 . . 55 . 5 ILE HG2 H 0.88 . . 56 . 5 ILE CG2 C 17.35 . . 57 . 5 ILE HD1 H 0.88 . . 58 . 5 ILE CD1 C 13.15 . . 59 . 5 ILE H H 8.20 . . 60 . 5 ILE N N 125.44 . . 61 . 6 LEU HA H 4.32 . . 62 . 6 LEU CA C 54.88 . . 63 . 6 LEU HB2 H 1.52 . . 64 . 6 LEU HB3 H 1.52 . . 65 . 6 LEU CB C 41.97 . . 66 . 6 LEU HG H 1.61 . . 67 . 6 LEU CG C 27.09 . . 68 . 6 LEU HD1 H 0.93 . . 69 . 6 LEU CD1 C 25.03 . . 70 . 6 LEU HD2 H 0.87 . . 71 . 6 LEU CD2 C 23.05 . . 72 . 6 LEU H H 8.23 . . 73 . 6 LEU N N 128.93 . . 74 . 7 LYS H H 8.24 . . 75 . 7 LYS N N 124.53 . . 76 . 7 LYS HA H 4.18 . . 77 . 7 LYS CA C 56.53 . . 78 . 7 LYS HB3 H 1.64 . . 79 . 7 LYS HB2 H 1.73 . . 80 . 7 LYS CB C 32.62 . . 81 . 7 LYS HG2 H 1.65 . . 82 . 7 LYS HG3 H 1.65 . . 83 . 7 LYS CD C 28.90 . . 84 . 7 LYS HD2 H 1.38 . . 85 . 7 LYS CG C 24.63 . . 86 . 7 LYS HD3 H 2.95 . . 87 . 7 LYS CE C 41.97 . . 88 . 8 HIS H H 8.10 . . 89 . 8 HIS N N 121.95 . . 90 . 8 HIS HA H 4.32 . . 91 . 8 HIS CA C 56.33 . . 92 . 8 HIS HB2 H 1.84 . . 93 . 8 HIS HB3 H 1.84 . . 94 . 8 HIS CB C 30.53 . . 95 . 8 HIS HE1 H 7.21 . . 96 . 9 GLN HA H 4.32 . . 97 . 9 GLN CA C 55.66 . . 98 . 9 GLN HB2 H 2.28 . . 99 . 9 GLN HB3 H 2.28 . . 100 . 9 GLN CB C 33.73 . . 101 . 10 LEU HA H 4.36 . . 102 . 10 LEU CA C 54.95 . . 103 . 10 LEU HB3 H 1.65 . . 104 . 10 LEU CB C 42.05 . . 105 . 10 LEU HB2 H 1.52 . . 106 . 10 LEU HG H 1.64 . . 107 . 10 LEU CG C 26.85 . . 108 . 10 LEU HD1 H 0.93 . . 109 . 10 LEU CD1 C 24.95 . . 110 . 10 LEU HD2 H 0.88 . . 111 . 10 LEU CD2 C 23.05 . . 112 . 10 LEU H H 8.22 . . 113 . 10 LEU N N 125.80 . . 114 . 11 VAL H H 8.12 . . 115 . 11 VAL N N 125.73 . . 116 . 11 VAL HA H 4.43 . . 117 . 11 VAL CA C 59.72 . . 118 . 11 VAL HB H 2.09 . . 119 . 11 VAL CB C 32.52 . . 120 . 12 PRO HA H 4.61 . . 121 . 12 PRO CA C 62.40 . . 122 . 12 PRO HB3 H 1.60 . . 123 . 12 PRO CB C 32.23 . . 124 . 12 PRO HB2 H 2.00 . . 125 . 12 PRO HG3 H 2.01 . . 126 . 12 PRO CG C 27.09 . . 127 . 12 PRO HG2 H 1.95 . . 128 . 12 PRO HD3 H 3.88 . . 129 . 12 PRO CD C 50.68 . . 130 . 12 PRO HD2 H 3.73 . . 131 . 13 GLU HA H 4.31 . . 132 . 13 GLU CA C 55.67 . . 133 . 13 GLU HB2 H 2.12 . . 134 . 13 GLU HB3 H 2.12 . . 135 . 13 GLU CB C 36.24 . . 136 . 13 GLU H H 8.36 . . 137 . 13 GLU N N 124.01 . . 138 . 14 HIS HA H 5.41 . . 139 . 14 HIS CA C 55.01 . . 140 . 14 HIS HB3 H 2.70 . . 141 . 14 HIS CB C 32.07 . . 142 . 14 HIS HB2 H 2.92 . . 143 . 14 HIS HE1 H 6.54 . . 144 . 14 HIS H H 8.06 . . 145 . 14 HIS N N 123.66 . . 146 . 15 VAL HA H 4.48 . . 147 . 15 VAL CA C 60.41 . . 148 . 15 VAL HB H 2.00 . . 149 . 15 VAL CB C 36.27 . . 150 . 15 VAL HG1 H 0.95 . . 151 . 15 VAL CG1 C 20.67 . . 152 . 15 VAL HG2 H 0.92 . . 153 . 15 VAL CG2 C 20.67 . . 154 . 15 VAL H H 9.01 . . 155 . 15 VAL N N 124.06 . . 156 . 16 ILE HA H 4.33 . . 157 . 16 ILE CA C 61.68 . . 158 . 16 ILE HB H 1.73 . . 159 . 16 ILE CB C 38.65 . . 160 . 16 ILE HG12 H 0.80 . . 161 . 16 ILE HG13 H 0.80 . . 162 . 16 ILE CG1 C 29.07 . . 163 . 16 ILE HG2 H 0.92 . . 164 . 16 ILE CG2 C 17.27 . . 165 . 16 ILE HD1 H 0.86 . . 166 . 16 ILE CD1 C 13.71 . . 167 . 16 ILE H H 8.78 . . 168 . 16 ILE N N 129.02 . . 169 . 17 LEU HA H 4.47 . . 170 . 17 LEU CA C 54.77 . . 171 . 17 LEU HB3 H 1.87 . . 172 . 17 LEU CB C 42.21 . . 173 . 17 LEU HB2 H 1.55 . . 174 . 17 LEU HG H 1.86 . . 175 . 17 LEU CG C 26.45 . . 176 . 17 LEU HD1 H 0.93 . . 177 . 17 LEU CD1 C 22.81 . . 178 . 17 LEU HD2 H 0.87 . . 179 . 17 LEU CD2 C 26.45 . . 180 . 17 LEU H H 8.76 . . 181 . 17 LEU N N 131.49 . . 182 . 18 ASN HA H 4.73 . . 183 . 18 ASN CA C 51.79 . . 184 . 18 ASN HB3 H 3.32 . . 185 . 18 ASN CB C 38.09 . . 186 . 18 ASN HB2 H 2.97 . . 187 . 18 ASN H H 8.87 . . 188 . 18 ASN N N 123.84 . . 189 . 19 GLU HA H 4.04 . . 190 . 19 GLU CA C 60.33 . . 191 . 19 GLU HB3 H 2.17 . . 192 . 19 GLU CB C 29.62 . . 193 . 19 GLU HB2 H 2.06 . . 194 . 19 GLU HG3 H 2.42 . . 195 . 19 GLU CG C 36.11 . . 196 . 19 GLU HG2 H 2.30 . . 197 . 19 GLU H H 8.62 . . 198 . 19 GLU N N 121.66 . . 199 . 20 SER HA H 4.21 . . 200 . 20 SER CA C 61.52 . . 201 . 20 SER HB2 H 3.97 . . 202 . 20 SER HB3 H 3.97 . . 203 . 20 SER CB C 62.37 . . 204 . 20 SER H H 8.22 . . 205 . 20 SER N N 117.27 . . 206 . 21 GLU HA H 4.16 . . 207 . 21 GLU CA C 58.50 . . 208 . 21 GLU HB3 H 1.96 . . 209 . 21 GLU CB C 30.20 . . 210 . 21 GLU HB2 H 2.20 . . 211 . 21 GLU HG3 H 2.47 . . 212 . 21 GLU CG C 36.35 . . 213 . 21 GLU HG2 H 2.32 . . 214 . 21 GLU H H 8.41 . . 215 . 21 GLU N N 126.85 . . 216 . 22 ALA HA H 3.82 . . 217 . 22 ALA CA C 55.24 . . 218 . 22 ALA HB H 1.46 . . 219 . 22 ALA CB C 17.80 . . 220 . 22 ALA H H 8.91 . . 221 . 22 ALA N N 124.68 . . 222 . 23 LYS HA H 3.91 . . 223 . 23 LYS CA C 59.46 . . 224 . 23 LYS HB2 H 1.97 . . 225 . 23 LYS HB3 H 1.97 . . 226 . 23 LYS CB C 32.11 . . 227 . 23 LYS HG3 H 1.50 . . 228 . 23 LYS CG C 25.58 . . 229 . 23 LYS HG2 H 1.72 . . 230 . 23 LYS HD2 H 1.72 . . 231 . 23 LYS HD3 H 1.72 . . 232 . 23 LYS CD C 29.22 . . 233 . 23 LYS HE2 H 3.00 . . 234 . 23 LYS HE3 H 3.00 . . 235 . 23 LYS CE C 42.05 . . 236 . 23 LYS H H 7.71 . . 237 . 23 LYS N N 118.23 . . 238 . 24 ARG HA H 4.03 . . 239 . 24 ARG CA C 59.70 . . 240 . 24 ARG HB3 H 2.03 . . 241 . 24 ARG CB C 30.12 . . 242 . 24 ARG HB2 H 1.94 . . 243 . 24 ARG HG3 H 1.76 . . 244 . 24 ARG CG C 27.17 . . 245 . 24 ARG HG2 H 1.57 . . 246 . 24 ARG HD3 H 3.29 . . 247 . 24 ARG CD C 43.08 . . 248 . 24 ARG HD2 H 3.19 . . 249 . 24 ARG H H 7.46 . . 250 . 24 ARG N N 122.44 . . 251 . 25 VAL HA H 3.52 . . 252 . 25 VAL CA C 66.20 . . 253 . 25 VAL HB H 1.77 . . 254 . 25 VAL CB C 31.36 . . 255 . 25 VAL HG1 H 0.73 . . 256 . 25 VAL CG1 C 22.73 . . 257 . 25 VAL HG2 H 0.20 . . 258 . 25 VAL CG2 C 19.64 . . 259 . 25 VAL H H 8.23 . . 260 . 25 VAL N N 123.83 . . 261 . 26 LEU HA H 3.81 . . 262 . 26 LEU CA C 58.19 . . 263 . 26 LEU HB2 H 1.75 . . 264 . 26 LEU HB3 H 1.75 . . 265 . 26 LEU CG C 27.01 . . 266 . 26 LEU HG H 1.62 . . 267 . 26 LEU CB C 40.38 . . 268 . 26 LEU HD1 H 0.81 . . 269 . 26 LEU CD1 C 25.34 . . 270 . 26 LEU HD2 H 0.64 . . 271 . 26 LEU CD2 C 22.18 . . 272 . 26 LEU H H 8.16 . . 273 . 26 LEU N N 121.66 . . 274 . 27 LYS HA H 4.20 . . 275 . 27 LYS CA C 58.58 . . 276 . 27 LYS HB2 H 1.97 . . 277 . 27 LYS HB3 H 1.97 . . 278 . 27 LYS CB C 31.71 . . 279 . 27 LYS HG3 H 1.47 . . 280 . 27 LYS CG C 24.63 . . 281 . 27 LYS HG2 H 1.52 . . 282 . 27 LYS HD2 H 1.66 . . 283 . 27 LYS HD3 H 1.66 . . 284 . 27 LYS CD C 28.99 . . 285 . 27 LYS HE2 H 3.02 . . 286 . 27 LYS HE3 H 3.02 . . 287 . 27 LYS CE C 42.13 . . 288 . 27 LYS H H 7.51 . . 289 . 27 LYS N N 121.10 . . 290 . 28 GLU HA H 4.04 . . 291 . 28 GLU CA C 58.98 . . 292 . 28 GLU HB3 H 2.09 . . 293 . 28 GLU CB C 29.54 . . 294 . 28 GLU HB2 H 2.17 . . 295 . 28 GLU HG3 H 2.26 . . 296 . 28 GLU CG C 36.27 . . 297 . 28 GLU HG2 H 2.45 . . 298 . 28 GLU H H 8.06 . . 299 . 28 GLU N N 123.66 . . 300 . 29 LEU HA H 4.22 . . 301 . 29 LEU CA C 55.11 . . 302 . 29 LEU HB3 H 1.63 . . 303 . 29 LEU CB C 42.13 . . 304 . 29 LEU HB2 H 1.55 . . 305 . 29 LEU HG H 1.79 . . 306 . 29 LEU CG C 25.66 . . 307 . 29 LEU HD1 H 0.86 . . 308 . 29 LEU CD1 C 22.18 . . 309 . 29 LEU HD2 H 0.69 . . 310 . 29 LEU CD2 C 25.66 . . 311 . 29 LEU H H 8.07 . . 312 . 29 LEU N N 120.27 . . 313 . 30 ASP HA H 4.26 . . 314 . 30 ASP CA C 55.16 . . 315 . 30 ASP HB3 H 2.52 . . 316 . 30 ASP CB C 40.06 . . 317 . 30 ASP HB2 H 3.03 . . 318 . 30 ASP H H 7.83 . . 319 . 30 ASP N N 123.74 . . 320 . 31 ALA HA H 4.62 . . 321 . 31 ALA CA C 51.03 . . 322 . 31 ALA HB H 1.18 . . 323 . 31 ALA CB C 21.30 . . 324 . 31 ALA H H 7.91 . . 325 . 31 ALA N N 121.41 . . 326 . 32 HIS HA H 5.02 . . 327 . 32 HIS CA C 53.42 . . 328 . 32 HIS HB3 H 2.96 . . 329 . 32 HIS CB C 30.20 . . 330 . 32 HIS HB2 H 3.24 . . 331 . 32 HIS HE1 H 7.16 . . 332 . 32 HIS H H 7.94 . . 333 . 32 HIS N N 121.06 . . 334 . 33 PRO HA H 4.09 . . 335 . 33 PRO CA C 65.72 . . 336 . 33 PRO HB3 H 2.03 . . 337 . 33 PRO CB C 31.68 . . 338 . 33 PRO HB2 H 2.32 . . 339 . 33 PRO HG2 H 2.16 . . 340 . 33 PRO HG3 H 2.16 . . 341 . 33 PRO CG C 27.48 . . 342 . 33 PRO HD3 H 3.58 . . 343 . 33 PRO CD C 49.97 . . 344 . 33 PRO HD2 H 3.68 . . 345 . 34 GLU HA H 4.13 . . 346 . 34 GLU CA C 58.27 . . 347 . 34 GLU HB2 H 2.07 . . 348 . 34 GLU HB3 H 2.07 . . 349 . 34 GLU CB C 28.04 . . 350 . 34 GLU HG3 H 2.33 . . 351 . 34 GLU CG C 36.27 . . 352 . 34 GLU HG2 H 2.40 . . 353 . 34 GLU H H 9.41 . . 354 . 34 GLU N N 117.85 . . 355 . 35 GLN HA H 4.35 . . 356 . 35 GLN CA C 56.06 . . 357 . 35 GLN HB2 H 2.26 . . 358 . 35 GLN HB3 H 2.26 . . 359 . 35 GLN CB C 29.70 . . 360 . 35 GLN HG2 H 2.48 . . 361 . 35 GLN HG3 H 2.48 . . 362 . 35 GLN CG C 34.92 . . 363 . 35 GLN H H 8.13 . . 364 . 35 GLN N N 120.61 . . 365 . 36 LEU HA H 4.61 . . 366 . 36 LEU CA C 53.02 . . 367 . 36 LEU HB3 H 1.62 . . 368 . 36 LEU CB C 41.33 . . 369 . 36 LEU HB2 H 1.75 . . 370 . 36 LEU HD1 H 0.77 . . 371 . 36 LEU CD1 C 27.45 . . 372 . 36 LEU HD2 H 0.95 . . 373 . 36 LEU CD2 C 24.96 . . 374 . 36 LEU H H 7.64 . . 375 . 36 LEU N N 124.58 . . 376 . 37 PRO HA H 4.60 . . 377 . 37 PRO CA C 62.40 . . 378 . 37 PRO HB3 H 1.78 . . 379 . 37 PRO CB C 30.97 . . 380 . 37 PRO HB2 H 2.47 . . 381 . 37 PRO HG3 H 2.17 . . 382 . 37 PRO CG C 27.88 . . 383 . 37 PRO HG2 H 2.09 . . 384 . 37 PRO HD3 H 3.78 . . 385 . 37 PRO CD C 49.89 . . 386 . 37 PRO HD2 H 3.93 . . 387 . 38 LYS HA H 5.62 . . 388 . 38 LYS CA C 54.64 . . 389 . 38 LYS HB3 H 1.72 . . 390 . 38 LYS CB C 34.77 . . 391 . 38 LYS HB2 H 1.81 . . 392 . 38 LYS HG3 H 1.47 . . 393 . 38 LYS CG C 25.27 . . 394 . 38 LYS HG2 H 1.55 . . 395 . 38 LYS HD2 H 1.55 . . 396 . 38 LYS HD3 H 1.55 . . 397 . 38 LYS CD C 28.83 . . 398 . 38 LYS HE2 H 3.02 . . 399 . 38 LYS HE3 H 3.02 . . 400 . 38 LYS CE C 42.21 . . 401 . 38 LYS H H 8.32 . . 402 . 38 LYS N N 121.61 . . 403 . 39 ILE HA H 4.56 . . 404 . 39 ILE CA C 59.55 . . 405 . 39 ILE HB H 1.68 . . 406 . 39 ILE CB C 41.65 . . 407 . 39 ILE HG12 H 1.48 . . 408 . 39 ILE HG13 H 1.48 . . 409 . 39 ILE CG1 C 26.61 . . 410 . 39 ILE HG2 H 0.81 . . 411 . 39 ILE CG2 C 17.35 . . 412 . 39 ILE HD1 H 0.66 . . 413 . 39 ILE CD1 C 13.07 . . 414 . 39 ILE H H 8.80 . . 415 . 39 ILE N N 122.73 . . 416 . 40 LYS H H 8.55 . . 417 . 40 LYS N N 125.84 . . 418 . 40 LYS HA H 4.93 . . 419 . 40 LYS CA C 55.48 . . 420 . 40 LYS HB3 H 1.98 . . 421 . 40 LYS CB C 34.13 . . 422 . 40 LYS HB2 H 1.74 . . 423 . 40 LYS HG2 H 1.63 . . 424 . 40 LYS HG3 H 1.63 . . 425 . 40 LYS CG C 25.42 . . 426 . 40 LYS HD2 H 1.75 . . 427 . 40 LYS HD3 H 1.75 . . 428 . 40 LYS CD C 28.99 . . 429 . 40 LYS HE2 H 3.04 . . 430 . 40 LYS HE3 H 3.04 . . 431 . 40 LYS CE C 41.97 . . 432 . 41 THR HA H 3.50 . . 433 . 41 THR CA C 64.94 . . 434 . 41 THR HB H 4.18 . . 435 . 41 THR CB C 68.92 . . 436 . 41 THR HG2 H 1.20 . . 437 . 41 THR CG2 C 22.81 . . 438 . 41 THR H H 8.88 . . 439 . 41 THR N N 115.77 . . 440 . 42 THR HA H 4.05 . . 441 . 42 THR CA C 60.73 . . 442 . 42 THR HB H 4.54 . . 443 . 42 THR CB C 68.92 . . 444 . 42 THR HG2 H 1.21 . . 445 . 42 THR CG2 C 21.94 . . 446 . 42 THR H H 6.82 . . 447 . 42 THR N N 128.70 . . 448 . 43 ASP HA H 4.71 . . 449 . 43 ASP CA C 53.34 . . 450 . 43 ASP HB3 H 2.73 . . 451 . 43 ASP CB C 43.00 . . 452 . 43 ASP HB2 H 2.88 . . 453 . 43 ASP H H 7.65 . . 454 . 43 ASP N N 128.93 . . 455 . 44 PRO HA H 4.16 . . 456 . 44 PRO CA C 65.82 . . 457 . 44 PRO HB3 H 2.43 . . 458 . 44 PRO CB C 32.31 . . 459 . 44 PRO HB2 H 1.98 . . 460 . 44 PRO HG3 H 2.04 . . 461 . 44 PRO CG C 27.48 . . 462 . 44 PRO HG2 H 2.17 . . 463 . 44 PRO HD3 H 3.80 . . 464 . 44 PRO CD C 50.60 . . 465 . 44 PRO HD2 H 3.98 . . 466 . 45 VAL HA H 3.57 . . 467 . 45 VAL CA C 65.82 . . 468 . 45 VAL HB H 1.73 . . 469 . 45 VAL CB C 31.23 . . 470 . 45 VAL HG1 H 0.77 . . 471 . 45 VAL CG1 C 22.26 . . 472 . 45 VAL HG2 H 0.36 . . 473 . 45 VAL CG2 C 19.88 . . 474 . 45 VAL H H 8.91 . . 475 . 45 VAL N N 120.86 . . 476 . 46 ALA HA H 3.77 . . 477 . 46 ALA CA C 54.85 . . 478 . 46 ALA HB H 1.42 . . 479 . 46 ALA CB C 18.35 . . 480 . 46 ALA H H 6.78 . . 481 . 46 ALA N N 122.82 . . 482 . 47 LYS HA H 4.11 . . 483 . 47 LYS CA C 58.42 . . 484 . 47 LYS HB2 H 2.01 . . 485 . 47 LYS HB3 H 2.01 . . 486 . 47 LYS CB C 32.19 . . 487 . 47 LYS HG2 H 1.73 . . 488 . 47 LYS HG3 H 1.73 . . 489 . 47 LYS CG C 29.07 . . 490 . 47 LYS HD2 H 1.46 . . 491 . 47 LYS HD3 H 1.46 . . 492 . 47 LYS CD C 24.47 . . 493 . 47 LYS HE2 H 3.01 . . 494 . 47 LYS HE3 H 3.01 . . 495 . 47 LYS CE C 41.50 . . 496 . 47 LYS H H 8.16 . . 497 . 47 LYS N N 119.37 . . 498 . 48 ALA HA H 4.14 . . 499 . 48 ALA CA C 54.85 . . 500 . 48 ALA HB H 1.53 . . 501 . 48 ALA CB C 18.43 . . 502 . 48 ALA H H 7.83 . . 503 . 48 ALA N N 123.46 . . 504 . 49 ILE HA H 4.60 . . 505 . 49 ILE CA C 60.25 . . 506 . 49 ILE HB H 2.26 . . 507 . 49 ILE CB C 38.47 . . 508 . 49 ILE HG12 H 1.31 . . 509 . 49 ILE HG13 H 1.31 . . 510 . 49 ILE CG1 C 24.79 . . 511 . 49 ILE HG2 H 0.93 . . 512 . 49 ILE CG2 C 17.03 . . 513 . 49 ILE HD1 H 0.68 . . 514 . 49 ILE CD1 C 14.42 . . 515 . 49 ILE H H 7.22 . . 516 . 49 ILE N N 131.95 . . 517 . 50 GLY HA3 H 3.96 . . 518 . 50 GLY CA C 46.26 . . 519 . 50 GLY HA2 H 3.87 . . 520 . 50 GLY H H 7.61 . . 521 . 50 GLY N N 113.68 . . 522 . 51 ALA HA H 4.41 . . 523 . 51 ALA CA C 51.90 . . 524 . 51 ALA HB H 1.28 . . 525 . 51 ALA CB C 20.02 . . 526 . 51 ALA H H 8.02 . . 527 . 51 ALA N N 124.65 . . 528 . 52 LYS HA H 4.59 . . 529 . 52 LYS CA C 53.49 . . 530 . 52 LYS HB2 H 1.77 . . 531 . 52 LYS HB3 H 1.77 . . 532 . 52 LYS CB C 35.45 . . 533 . 52 LYS HG3 H 1.52 . . 534 . 52 LYS CG C 23.60 . . 535 . 52 LYS HG2 H 1.36 . . 536 . 52 LYS HD2 H 1.69 . . 537 . 52 LYS HD3 H 1.69 . . 538 . 52 LYS CD C 28.83 . . 539 . 52 LYS HE2 H 3.07 . . 540 . 52 LYS HE3 H 3.07 . . 541 . 52 LYS CE C 42.05 . . 542 . 52 LYS H H 9.34 . . 543 . 52 LYS N N 124.69 . . 544 . 53 ARG HA H 3.64 . . 545 . 53 ARG CA C 57.95 . . 546 . 53 ARG HB2 H 1.83 . . 547 . 53 ARG HB3 H 1.83 . . 548 . 53 ARG CB C 29.40 . . 549 . 53 ARG HG3 H 1.59 . . 550 . 53 ARG CG C 26.77 . . 551 . 53 ARG HG2 H 1.72 . . 552 . 53 ARG HD2 H 3.29 . . 553 . 53 ARG HD3 H 3.29 . . 554 . 53 ARG CD C 43.40 . . 555 . 53 ARG H H 8.38 . . 556 . 53 ARG N N 121.98 . . 557 . 54 GLY HA3 H 4.46 . . 558 . 54 GLY CA C 44.67 . . 559 . 54 GLY HA2 H 3.56 . . 560 . 54 GLY H H 9.20 . . 561 . 54 GLY N N 118.50 . . 562 . 55 ASP HA H 4.65 . . 563 . 55 ASP CA C 55.09 . . 564 . 55 ASP HB3 H 2.44 . . 565 . 55 ASP CB C 41.41 . . 566 . 55 ASP HB2 H 2.90 . . 567 . 55 ASP H H 8.24 . . 568 . 55 ASP N N 124.18 . . 569 . 56 ILE HA H 4.97 . . 570 . 56 ILE CA C 59.62 . . 571 . 56 ILE HB H 1.67 . . 572 . 56 ILE CB C 28.27 . . 573 . 56 ILE HG13 H 1.73 . . 574 . 56 ILE CG1 C 38.39 . . 575 . 56 ILE HG12 H 1.11 . . 576 . 56 ILE HD1 H 0.82 . . 577 . 56 ILE CD1 C 13.07 . . 578 . 56 ILE HG2 H 0.84 . . 579 . 56 ILE CG2 C 18.06 . . 580 . 56 ILE H H 8.97 . . 581 . 56 ILE N N 122.59 . . 582 . 57 VAL HA H 4.66 . . 583 . 57 VAL CA C 59.70 . . 584 . 57 VAL HB H 1.72 . . 585 . 57 VAL CB C 34.49 . . 586 . 57 VAL HG1 H 0.72 . . 587 . 57 VAL CG1 C 21.62 . . 588 . 57 VAL HG2 H 0.72 . . 589 . 57 VAL CG2 C 21.62 . . 590 . 57 VAL H H 9.16 . . 591 . 57 VAL N N 128.94 . . 592 . 58 LYS HA H 4.66 . . 593 . 58 LYS CA C 54.48 . . 594 . 58 LYS HB3 H 1.54 . . 595 . 58 LYS CB C 35.48 . . 596 . 58 LYS HB2 H 1.91 . . 597 . 58 LYS HG2 H 0.94 . . 598 . 58 LYS HG3 H 0.94 . . 599 . 58 LYS CG C 24.79 . . 600 . 58 LYS HD3 H 1.62 . . 601 . 58 LYS CD C 30.10 . . 602 . 58 LYS HD2 H 1.72 . . 603 . 58 LYS HE3 H 2.80 . . 604 . 58 LYS CE C 41.81 . . 605 . 58 LYS HE2 H 2.73 . . 606 . 58 LYS H H 9.45 . . 607 . 58 LYS N N 131.76 . . 608 . 59 ILE HA H 4.62 . . 609 . 59 ILE CA C 60.34 . . 610 . 59 ILE HB H 1.62 . . 611 . 59 ILE CB C 38.17 . . 612 . 59 ILE HG13 H 1.32 . . 613 . 59 ILE CG1 C 27.48 . . 614 . 59 ILE HG12 H 1.64 . . 615 . 59 ILE HG2 H 0.53 . . 616 . 59 ILE CG2 C 17.35 . . 617 . 59 ILE HD1 H 0.64 . . 618 . 59 ILE CD1 C 13.86 . . 619 . 59 ILE H H 8.82 . . 620 . 59 ILE N N 130.65 . . 621 . 60 ILE HA H 4.53 . . 622 . 60 ILE CA C 60.65 . . 623 . 60 ILE HB H 1.71 . . 624 . 60 ILE CB C 40.07 . . 625 . 60 ILE HG13 H 1.34 . . 626 . 60 ILE CG1 C 27.96 . . 627 . 60 ILE HG12 H 0.90 . . 628 . 60 ILE HG2 H 0.76 . . 629 . 60 ILE CG2 C 18.46 . . 630 . 60 ILE HD1 H 0.76 . . 631 . 60 ILE CD1 C 14.50 . . 632 . 60 ILE H H 8.87 . . 633 . 60 ILE N N 130.16 . . 634 . 61 ARG HA H 4.66 . . 635 . 61 ARG CA C 54.56 . . 636 . 61 ARG HB3 H 1.60 . . 637 . 61 ARG CB C 32.63 . . 638 . 61 ARG HB2 H 1.80 . . 639 . 61 ARG HG2 H 1.44 . . 640 . 61 ARG HG3 H 1.44 . . 641 . 61 ARG CG C 27.96 . . 642 . 61 ARG HD2 H 3.12 . . 643 . 61 ARG HD3 H 3.12 . . 644 . 61 ARG CD C 43.24 . . 645 . 61 ARG H H 8.75 . . 646 . 61 ARG N N 130.19 . . 647 . 62 LYS HA H 5.02 . . 648 . 62 LYS CA C 55.03 . . 649 . 62 LYS HB3 H 1.65 . . 650 . 62 LYS CB C 34.61 . . 651 . 62 LYS HB2 H 1.79 . . 652 . 62 LYS HG2 H 1.37 . . 653 . 62 LYS HG3 H 1.37 . . 654 . 62 LYS CG C 25.34 . . 655 . 62 LYS HD2 H 1.62 . . 656 . 62 LYS HD3 H 1.62 . . 657 . 62 LYS CD C 29.22 . . 658 . 62 LYS HE2 H 2.91 . . 659 . 62 LYS HE3 H 2.91 . . 660 . 62 LYS CE C 41.97 . . 661 . 62 LYS H H 8.64 . . 662 . 62 LYS N N 126.46 . . 663 . 63 SER HA H 5.01 . . 664 . 63 SER CA C 55.48 . . 665 . 63 SER HB3 H 4.32 . . 666 . 63 SER CB C 64.07 . . 667 . 63 SER HB2 H 3.88 . . 668 . 63 SER H H 8.79 . . 669 . 63 SER N N 122.84 . . 670 . 64 PRO HA H 4.52 . . 671 . 64 PRO CA C 64.69 . . 672 . 64 PRO HB3 H 2.01 . . 673 . 64 PRO CB C 31.99 . . 674 . 64 PRO HB2 H 2.47 . . 675 . 64 PRO HG3 H 2.13 . . 676 . 64 PRO CG C 27.72 . . 677 . 64 PRO HG2 H 2.01 . . 678 . 64 PRO HD2 H 3.91 . . 679 . 64 PRO HD3 H 3.91 . . 680 . 64 PRO CD C 51.00 . . 681 . 65 THR HA H 4.42 . . 682 . 65 THR CA C 60.97 . . 683 . 65 THR HB H 4.57 . . 684 . 65 THR CB C 68.44 . . 685 . 65 THR HG2 H 1.18 . . 686 . 65 THR CG2 C 21.70 . . 687 . 65 THR H H 7.70 . . 688 . 65 THR N N 131.44 . . 689 . 66 ALA HA H 4.05 . . 690 . 66 ALA CA C 53.34 . . 691 . 66 ALA HB H 1.50 . . 692 . 66 ALA CB C 17.40 . . 693 . 66 ALA H H 8.02 . . 694 . 66 ALA N N 123.64 . . 695 . 67 GLU HA H 4.16 . . 696 . 67 GLU CA C 56.96 . . 697 . 67 GLU HB3 H 1.96 . . 698 . 67 GLU CB C 30.52 . . 699 . 67 GLU HB2 H 2.20 . . 700 . 67 GLU HG3 H 2.47 . . 701 . 67 GLU CG C 36.27 . . 702 . 67 GLU HG2 H 2.32 . . 703 . 67 GLU H H 7.77 . . 704 . 67 GLU N N 122.25 . . 705 . 68 GLU HA H 4.68 . . 706 . 68 GLU CA C 55.80 . . 707 . 68 GLU HB2 H 1.81 . . 708 . 68 GLU HB3 H 1.81 . . 709 . 68 GLU CB C 31.71 . . 710 . 68 GLU HG3 H 1.96 . . 711 . 68 GLU CG C 36.75 . . 712 . 68 GLU HG2 H 2.16 . . 713 . 68 GLU H H 8.37 . . 714 . 68 GLU N N 125.14 . . 715 . 69 PHE HA H 4.87 . . 716 . 69 PHE CA C 56.36 . . 717 . 69 PHE HB3 H 3.06 . . 718 . 69 PHE CB C 40.62 . . 719 . 69 PHE HB2 H 2.94 . . 720 . 69 PHE HD1 H 7.15 . . 721 . 69 PHE HD2 H 7.15 . . 722 . 69 PHE HE1 H 7.22 . . 723 . 69 PHE HE2 H 7.22 . . 724 . 69 PHE H H 8.82 . . 725 . 69 PHE N N 126.80 . . 726 . 70 VAL HA H 4.92 . . 727 . 70 VAL CA C 60.89 . . 728 . 70 VAL HB H 1.77 . . 729 . 70 VAL CB C 33.86 . . 730 . 70 VAL HG1 H 0.58 . . 731 . 70 VAL CG1 C 21.46 . . 732 . 70 VAL HG2 H 0.83 . . 733 . 70 VAL CG2 C 21.46 . . 734 . 70 VAL H H 8.49 . . 735 . 70 VAL N N 128.25 . . 736 . 71 THR HA H 4.44 . . 737 . 71 THR CA C 59.93 . . 738 . 71 THR HB H 4.11 . . 739 . 71 THR CB C 71.46 . . 740 . 71 THR HG2 H 1.11 . . 741 . 71 THR CG2 C 21.31 . . 742 . 71 THR H H 8.42 . . 743 . 71 THR N N 122.60 . . 744 . 72 TYR HA H 5.78 . . 745 . 72 TYR CA C 56.75 . . 746 . 72 TYR HB3 H 2.73 . . 747 . 72 TYR CB C 42.60 . . 748 . 72 TYR HB2 H 2.57 . . 749 . 72 TYR H H 8.00 . . 750 . 72 TYR N N 120.49 . . 751 . 72 TYR HD1 H 6.94 . . 752 . 72 TYR HD2 H 6.94 . . 753 . 72 TYR HE1 H 6.63 . . 754 . 72 TYR HE2 H 6.63 . . 755 . 73 ARG HA H 5.06 . . 756 . 73 ARG CA C 52.90 . . 757 . 73 ARG HB2 H 1.44 . . 758 . 73 ARG HB3 H 1.44 . . 759 . 73 ARG CB C 34.61 . . 760 . 73 ARG CG C 27.48 . . 761 . 73 ARG HD3 H 2.74 . . 762 . 73 ARG CD C 43.47 . . 763 . 73 ARG HD2 H 3.25 . . 764 . 73 ARG H H 9.11 . . 765 . 73 ARG N N 121.87 . . 766 . 74 LEU HA H 4.94 . . 767 . 74 LEU CA C 53.29 . . 768 . 74 LEU HB3 H 1.33 . . 769 . 74 LEU CB C 44.66 . . 770 . 74 LEU HB2 H 1.65 . . 771 . 74 LEU HG H 1.65 . . 772 . 74 LEU CG C 25.98 . . 773 . 74 LEU HD1 H 0.80 . . 774 . 74 LEU CD1 C 25.98 . . 775 . 74 LEU HD2 H 0.85 . . 776 . 74 LEU CD2 C 23.76 . . 777 . 74 LEU H H 8.41 . . 778 . 74 LEU N N 126.83 . . 779 . 75 VAL HA H 4.69 . . 780 . 75 VAL CA C 61.52 . . 781 . 75 VAL HB H 2.26 . . 782 . 75 VAL CB C 29.86 . . 783 . 75 VAL HG1 H 0.49 . . 784 . 75 VAL CG1 C 22.02 . . 785 . 75 VAL HG2 H 0.71 . . 786 . 75 VAL CG2 C 22.02 . . 787 . 75 VAL H H 8.87 . . 788 . 75 VAL N N 130.16 . . 789 . 76 GLN HA H 4.48 . . 790 . 76 GLN CA C 55.32 . . 791 . 76 GLN HB2 H 2.43 . . 792 . 76 GLN HB3 H 2.43 . . 793 . 76 GLN CB C 34.05 . . 794 . 76 GLN HG2 H 2.05 . . 795 . 76 GLN HG3 H 2.05 . . 796 . 76 GLN CG C 32.98 . . 797 . 76 GLN H H 9.09 . . 798 . 76 GLN N N 133.35 . . 799 . 77 ASP HA H 4.62 . . 800 . 77 ASP CA C 56.60 . . 801 . 77 ASP HB3 H 2.53 . . 802 . 77 ASP CB C 42.05 . . 803 . 77 ASP HB2 H 2.73 . . 804 . 77 ASP H H 8.19 . . 805 . 77 ASP N N 130.78 . . stop_ save_