data_7277 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone amide chemical shifts for dG85 T. thermophilus RNase H ; _BMRB_accession_number 7277 _BMRB_flat_file_name bmr7277.str _Entry_type original _Submission_date 2006-08-28 _Accession_date 2006-08-29 _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 Butterwick Joel A. . 2 Palmer Arthur G. III stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 144 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-10-09 original author . stop_ _Original_release_date 2007-10-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'An inserted Gly residue fine tunes dynamics between mesophilic and thermophilic ribonucleases H' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17088323 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Butterwick Joel A. . 2 Palmer Arthur G. III stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 15 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2697 _Page_last 2707 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'dG85 ttRNH' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'dG85 ttRNH' $dG85_ttRNH stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_dG85_ttRNH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'dG85 ttRNH' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; MNPSPRKRVALFTDGAALGN PGPGGWAALLRFHAHEKLLS GGEASTTNNRMELKAAIEGL KALKEPAEVDLYTDSHYLKK AFTEWLEGWRKRGWRTAEGK PVKNRDLWEALLLAMAPHRV RFHFVKGHTGHPENERVDRE ARRQAQSQAKTPSPPRAPTL FHEEA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASN 3 3 PRO 4 4 SER 5 5 PRO 6 6 ARG 7 7 LYS 8 8 ARG 9 9 VAL 10 10 ALA 11 11 LEU 12 12 PHE 13 13 THR 14 14 ASP 15 15 GLY 16 16 ALA 17 17 ALA 18 18 LEU 19 19 GLY 20 20 ASN 21 21 PRO 22 22 GLY 23 23 PRO 24 24 GLY 25 25 GLY 26 26 TRP 27 27 ALA 28 28 ALA 29 29 LEU 30 30 LEU 31 31 ARG 32 32 PHE 33 33 HIS 34 34 ALA 35 35 HIS 36 36 GLU 37 37 LYS 38 38 LEU 39 39 LEU 40 40 SER 41 41 GLY 42 42 GLY 43 43 GLU 44 44 ALA 45 45 SER 46 46 THR 47 47 THR 48 48 ASN 49 49 ASN 50 50 ARG 51 51 MET 52 52 GLU 53 53 LEU 54 54 LYS 55 55 ALA 56 56 ALA 57 57 ILE 58 58 GLU 59 59 GLY 60 60 LEU 61 61 LYS 62 62 ALA 63 63 LEU 64 64 LYS 65 65 GLU 66 66 PRO 67 67 ALA 68 68 GLU 69 69 VAL 70 70 ASP 71 71 LEU 72 72 TYR 73 73 THR 74 74 ASP 75 75 SER 76 76 HIS 77 77 TYR 78 78 LEU 79 79 LYS 80 80 LYS 81 81 ALA 82 82 PHE 83 83 THR 84 84 GLU 85 86 TRP 86 87 LEU 87 88 GLU 88 89 GLY 89 90 TRP 90 91 ARG 91 92 LYS 92 93 ARG 93 94 GLY 94 95 TRP 95 96 ARG 96 97 THR 97 98 ALA 98 99 GLU 99 100 GLY 100 101 LYS 101 102 PRO 102 103 VAL 103 104 LYS 104 105 ASN 105 106 ARG 106 107 ASP 107 108 LEU 108 109 TRP 109 110 GLU 110 111 ALA 111 112 LEU 112 113 LEU 113 114 LEU 114 115 ALA 115 116 MET 116 117 ALA 117 118 PRO 118 119 HIS 119 120 ARG 120 121 VAL 121 122 ARG 122 123 PHE 123 124 HIS 124 125 PHE 125 126 VAL 126 127 LYS 127 128 GLY 128 129 HIS 129 130 THR 130 131 GLY 131 132 HIS 132 133 PRO 133 134 GLU 134 135 ASN 135 136 GLU 136 137 ARG 137 138 VAL 138 139 ASP 139 140 ARG 140 141 GLU 141 142 ALA 142 143 ARG 143 144 ARG 144 145 GLN 145 146 ALA 146 147 GLN 147 148 SER 148 149 GLN 149 150 ALA 150 151 LYS 151 152 THR 152 153 PRO 153 154 SER 154 155 PRO 155 156 PRO 156 157 ARG 157 158 ALA 158 159 PRO 159 160 THR 160 161 LEU 161 162 PHE 162 163 HIS 163 164 GLU 164 165 GLU 165 166 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-07-28 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 5918 ttRNH 100.61 166 99.40 99.40 6.60e-113 PDB 1RIL "Crystal Structure Of Ribonuclease H From Thermus Thermophilus Hb8 Refined At 2.8 Angstroms Resolution" 100.61 166 96.99 96.99 1.73e-111 DBJ BAD71379 "ribonuclease H (RNase H) [Thermus thermophilus HB8]" 100.61 166 96.99 96.99 1.73e-111 EMBL CAA43026 "ribonuclease h [Thermus thermophilus HB8]" 100.61 166 96.99 96.99 2.28e-110 PIR A42673 "ribonuclease H (EC 3.1.26.4) - Thermus aquaticus" 100.61 166 96.99 96.99 1.73e-111 REF WP_011228761 "ribonuclease HI [Thermus thermophilus]" 100.61 166 96.99 96.99 1.73e-111 REF YP_144822 "ribonuclease H [Thermus thermophilus HB8]" 100.61 166 96.99 96.99 1.73e-111 SP P29253 "RecName: Full=Ribonuclease H; Short=RNase H [Thermus thermophilus HB8]" 100.61 166 96.99 96.99 1.73e-111 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _Organism_acronym _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $dG85_ttRNH 'T. thermophilus' 'T. thermophilus' 274 Eubacteria Protista Thermus thermophilus HB8 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 $dG85_ttRNH 'recombinant technology' . Escherichia coli BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 100 mM sodium acetate-d3, pH 5.5, 1 mM DSS, 0.02% (w/v) NaN3, 10% (v/v) D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dG85_ttRNH 0.3 mM '[U-2H; U-15N]' 'sodium acetate-d3' 100 mM . DSS 1 mM . NaN3 0.02 %(w/v) . D2O 10 % . H2O 90 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AV _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_1 save_ save_HMQC-NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-NOESY-HSQC _Sample_label $sample_1 save_ save_1H-15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HMQC-NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name HMQC-NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 1 mM pH 5.5 0.1 pH temperature 300 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details ; This protein contains a Gly85 deletion; to conform to the residue numbering of the wild-type version we have not adjusted the residue numbers (thus Glu84 is followed by Trp86). ; loop_ _Experiment_label '1H-15N HSQC' HMQC-NOESY-HSQC stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'dG85 ttRNH' _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 6 6 ARG H H 8.444 0.01 1 2 6 6 ARG N N 121.809 0.1 1 3 7 7 LYS H H 8.648 0.01 1 4 7 7 LYS N N 124.058 0.1 1 5 8 8 ARG H H 8.314 0.01 1 6 8 8 ARG N N 122.922 0.1 1 7 9 9 VAL H H 8.824 0.01 1 8 9 9 VAL N N 124.703 0.1 1 9 10 10 ALA H H 8.344 0.01 1 10 10 10 ALA N N 129.423 0.1 1 11 11 11 LEU H H 8.904 0.01 1 12 11 11 LEU N N 125.264 0.1 1 13 12 12 PHE H H 9.437 0.01 1 14 12 12 PHE N N 126.750 0.1 1 15 13 13 THR H H 8.004 0.01 1 16 13 13 THR N N 111.753 0.1 1 17 14 14 ASP H H 9.013 0.01 1 18 14 14 ASP N N 121.468 0.1 1 19 15 15 GLY H H 8.530 0.01 1 20 15 15 GLY N N 106.898 0.1 1 21 16 16 ALA H H 9.103 0.01 1 22 16 16 ALA N N 122.578 0.1 1 23 17 17 ALA H H 8.597 0.01 1 24 17 17 ALA N N 120.516 0.1 1 25 18 18 LEU H H 9.065 0.01 1 26 18 18 LEU N N 121.285 0.1 1 27 19 19 GLY H H 7.206 0.01 1 28 19 19 GLY N N 105.319 0.1 1 29 20 20 ASN H H 8.473 0.01 1 30 20 20 ASN N N 117.132 0.1 1 31 22 22 GLY H H 9.065 0.01 1 32 22 22 GLY N N 106.841 0.1 1 33 24 24 GLY H H 9.007 0.01 1 34 24 24 GLY N N 109.155 0.1 1 35 25 25 GLY H H 9.076 0.01 1 36 25 25 GLY N N 106.193 0.1 1 37 26 26 TRP H H 8.617 0.01 1 38 26 26 TRP N N 118.045 0.1 1 39 27 27 ALA H H 9.066 0.01 1 40 27 27 ALA N N 119.453 0.1 1 41 28 28 ALA H H 9.636 0.01 1 42 28 28 ALA N N 124.173 0.1 1 43 29 29 LEU H H 9.470 0.01 1 44 29 29 LEU N N 125.448 0.1 1 45 30 30 LEU H H 9.315 0.01 1 46 30 30 LEU N N 129.240 0.1 1 47 31 31 ARG H H 9.518 0.01 1 48 31 31 ARG N N 123.359 0.1 1 49 32 32 PHE H H 8.624 0.01 1 50 32 32 PHE N N 126.758 0.1 1 51 33 33 HIS H H 9.211 0.01 1 52 33 33 HIS N N 122.239 0.1 1 53 34 34 ALA H H 8.638 0.01 1 54 34 34 ALA N N 120.957 0.1 1 55 35 35 HIS H H 7.726 0.01 1 56 35 35 HIS N N 116.713 0.1 1 57 36 36 GLU H H 8.647 0.01 1 58 36 36 GLU N N 120.314 0.1 1 59 37 37 LYS H H 9.050 0.01 1 60 37 37 LYS N N 122.527 0.1 1 61 38 38 LEU H H 8.861 0.01 1 62 38 38 LEU N N 129.569 0.1 1 63 39 39 LEU H H 9.721 0.01 1 64 39 39 LEU N N 130.459 0.1 1 65 40 40 SER H H 8.069 0.01 1 66 40 40 SER N N 113.883 0.1 1 67 41 41 GLY H H 6.571 0.01 1 68 41 41 GLY N N 105.933 0.1 1 69 42 42 GLY H H 8.191 0.01 1 70 42 42 GLY N N 104.869 0.1 1 71 43 43 GLU H H 8.388 0.01 1 72 43 43 GLU N N 118.481 0.1 1 73 44 44 ALA H H 8.481 0.01 1 74 44 44 ALA N N 124.239 0.1 1 75 45 45 SER H H 7.927 0.01 1 76 45 45 SER N N 110.623 0.1 1 77 46 46 THR H H 9.470 0.01 1 78 46 46 THR N N 125.921 0.1 1 79 47 47 THR H H 8.544 0.01 1 80 47 47 THR N N 107.646 0.1 1 81 48 48 ASN H H 9.336 0.01 1 82 48 48 ASN N N 122.035 0.1 1 83 49 49 ASN H H 8.535 0.01 1 84 49 49 ASN N N 116.374 0.1 1 85 50 50 ARG H H 7.461 0.01 1 86 50 50 ARG N N 117.245 0.1 1 87 51 51 MET H H 7.811 0.01 1 88 51 51 MET N N 118.067 0.1 1 89 52 52 GLU H H 8.471 0.01 1 90 52 52 GLU N N 120.288 0.1 1 91 53 53 LEU H H 7.450 0.01 1 92 53 53 LEU N N 118.145 0.1 1 93 54 54 LYS H H 8.602 0.01 1 94 54 54 LYS N N 120.926 0.1 1 95 55 55 ALA H H 7.971 0.01 1 96 55 55 ALA N N 118.326 0.1 1 97 56 56 ALA H H 6.765 0.01 1 98 56 56 ALA N N 116.863 0.1 1 99 57 57 ILE H H 8.100 0.01 1 100 57 57 ILE N N 117.483 0.1 1 101 58 58 GLU H H 8.366 0.01 1 102 58 58 GLU N N 115.864 0.1 1 103 59 59 GLY H H 8.079 0.01 1 104 59 59 GLY N N 106.015 0.1 1 105 60 60 LEU H H 7.560 0.01 1 106 60 60 LEU N N 118.013 0.1 1 107 61 61 LYS H H 8.761 0.01 1 108 61 61 LYS N N 120.661 0.1 1 109 62 62 ALA H H 7.155 0.01 1 110 62 62 ALA N N 118.867 0.1 1 111 63 63 LEU H H 7.218 0.01 1 112 63 63 LEU N N 120.051 0.1 1 113 64 64 LYS H H 8.398 0.01 1 114 64 64 LYS N N 123.096 0.1 1 115 65 65 GLU H H 7.679 0.01 1 116 65 65 GLU N N 118.548 0.1 1 117 67 67 ALA H H 11.479 0.01 1 118 67 67 ALA N N 132.131 0.1 1 119 68 68 GLU H H 8.698 0.01 1 120 68 68 GLU N N 123.263 0.1 1 121 69 69 VAL H H 9.095 0.01 1 122 69 69 VAL N N 126.036 0.1 1 123 70 70 ASP H H 8.510 0.01 1 124 70 70 ASP N N 128.823 0.1 1 125 71 71 LEU H H 8.585 0.01 1 126 71 71 LEU N N 129.590 0.1 1 127 72 72 TYR H H 9.374 0.01 1 128 72 72 TYR N N 126.869 0.1 1 129 73 73 THR H H 8.299 0.01 1 130 73 73 THR N N 117.348 0.1 1 131 74 74 ASP H H 8.866 0.01 1 132 74 74 ASP N N 128.914 0.1 1 133 75 75 SER H H 8.052 0.01 1 134 75 75 SER N N 114.892 0.1 1 135 76 76 HIS H H 9.370 0.01 1 136 76 76 HIS N N 133.325 0.1 1 137 77 77 TYR H H 8.634 0.01 1 138 77 77 TYR N N 122.818 0.1 1 139 78 78 LEU H H 8.524 0.01 1 140 78 78 LEU N N 117.287 0.1 1 141 79 79 LYS H H 7.416 0.01 1 142 79 79 LYS N N 118.937 0.1 1 143 80 80 LYS H H 8.025 0.01 1 144 80 80 LYS N N 121.767 0.1 1 145 81 81 ALA H H 7.909 0.01 1 146 81 81 ALA N N 121.110 0.1 1 147 82 82 PHE H H 8.416 0.01 1 148 82 82 PHE N N 115.090 0.1 1 149 83 83 THR H H 7.558 0.01 1 150 83 83 THR N N 108.299 0.1 1 151 84 84 GLU H H 7.634 0.01 1 152 84 84 GLU N N 119.111 0.1 1 153 86 85 TRP H H 7.293 0.01 1 154 86 85 TRP N N 118.777 0.1 1 155 87 86 LEU H H 8.272 0.01 1 156 87 86 LEU N N 121.336 0.1 1 157 88 87 GLU H H 8.209 0.01 1 158 88 87 GLU N N 118.007 0.1 1 159 89 88 GLY H H 7.721 0.01 1 160 89 88 GLY N N 107.785 0.1 1 161 90 89 TRP H H 7.968 0.01 1 162 90 89 TRP N N 122.296 0.1 1 163 91 90 ARG H H 7.935 0.01 1 164 91 90 ARG N N 117.517 0.1 1 165 93 92 ARG H H 7.627 0.01 1 166 93 92 ARG N N 116.840 0.1 1 167 94 93 GLY H H 7.699 0.01 1 168 94 93 GLY N N 109.435 0.1 1 169 95 94 TRP H H 8.609 0.01 1 170 95 94 TRP N N 114.905 0.1 1 171 96 95 ARG H H 6.873 0.01 1 172 96 95 ARG N N 118.074 0.1 1 173 97 96 THR H H 9.237 0.01 1 174 97 96 THR N N 112.348 0.1 1 175 98 97 ALA H H 9.202 0.01 1 176 98 97 ALA N N 124.960 0.1 1 177 99 98 GLU H H 7.771 0.01 1 178 99 98 GLU N N 114.278 0.1 1 179 100 99 GLY H H 8.105 0.01 1 180 100 99 GLY N N 108.662 0.1 1 181 101 100 LYS H H 7.266 0.01 1 182 101 100 LYS N N 120.916 0.1 1 183 103 102 VAL H H 7.691 0.01 1 184 103 102 VAL N N 124.187 0.1 1 185 104 103 LYS H H 8.414 0.01 1 186 104 103 LYS N N 129.349 0.1 1 187 105 104 ASN H H 9.129 0.01 1 188 105 104 ASN N N 114.269 0.1 1 189 107 106 ASP H H 8.594 0.01 1 190 107 106 ASP N N 115.932 0.1 1 191 108 107 LEU H H 7.446 0.01 1 192 108 107 LEU N N 121.977 0.1 1 193 109 108 TRP H H 8.267 0.01 1 194 109 108 TRP N N 122.297 0.1 1 195 110 109 GLU H H 8.528 0.01 1 196 110 109 GLU N N 117.065 0.1 1 197 111 110 ALA H H 7.249 0.01 1 198 111 110 ALA N N 121.524 0.1 1 199 112 111 LEU H H 8.811 0.01 1 200 112 111 LEU N N 123.082 0.1 1 201 113 112 LEU H H 8.448 0.01 1 202 113 112 LEU N N 119.956 0.1 1 203 115 114 ALA H H 8.205 0.01 1 204 115 114 ALA N N 122.758 0.1 1 205 116 115 MET H H 8.418 0.01 1 206 116 115 MET N N 114.046 0.1 1 207 117 116 ALA H H 7.206 0.01 1 208 117 116 ALA N N 121.798 0.1 1 209 119 118 HIS H H 7.772 0.01 1 210 119 118 HIS N N 116.282 0.1 1 211 120 119 ARG H H 8.322 0.01 1 212 120 119 ARG N N 121.483 0.1 1 213 121 120 VAL H H 8.870 0.01 1 214 121 120 VAL N N 126.788 0.1 1 215 122 121 ARG H H 8.942 0.01 1 216 122 121 ARG N N 129.475 0.1 1 217 123 122 PHE H H 8.648 0.01 1 218 123 122 PHE N N 124.930 0.1 1 219 124 123 HIS H H 8.773 0.01 1 220 124 123 HIS N N 123.616 0.1 1 221 125 124 PHE H H 8.674 0.01 1 222 125 124 PHE N N 124.197 0.1 1 223 126 125 VAL H H 8.070 0.01 1 224 126 125 VAL N N 124.301 0.1 1 225 127 126 LYS H H 8.338 0.01 1 226 127 126 LYS N N 123.271 0.1 1 227 128 127 GLY H H 8.459 0.01 1 228 128 127 GLY N N 112.208 0.1 1 229 130 129 THR H H 8.039 0.01 1 230 130 129 THR N N 114.985 0.1 1 231 131 130 GLY H H 8.801 0.01 1 232 131 130 GLY N N 113.036 0.1 1 233 132 131 HIS H H 8.169 0.01 1 234 132 131 HIS N N 118.753 0.1 1 235 134 133 GLU H H 9.315 0.01 1 236 134 133 GLU N N 119.626 0.1 1 237 135 134 ASN H H 7.413 0.01 1 238 135 134 ASN N N 115.997 0.1 1 239 136 135 GLU H H 7.850 0.01 1 240 136 135 GLU N N 121.296 0.1 1 241 137 136 ARG H H 7.772 0.01 1 242 137 136 ARG N N 119.024 0.1 1 243 138 137 VAL H H 7.773 0.01 1 244 138 137 VAL N N 113.110 0.1 1 245 139 138 ASP H H 7.903 0.01 1 246 139 138 ASP N N 124.413 0.1 1 247 140 139 ARG H H 8.015 0.01 1 248 140 139 ARG N N 117.771 0.1 1 249 142 141 ALA H H 8.565 0.01 1 250 142 141 ALA N N 124.484 0.1 1 251 143 142 ARG H H 7.861 0.01 1 252 143 142 ARG N N 116.534 0.1 1 253 144 143 ARG H H 8.252 0.01 1 254 144 143 ARG N N 123.264 0.1 1 255 145 144 GLN H H 8.259 0.01 1 256 145 144 GLN N N 119.481 0.1 1 257 146 145 ALA H H 8.095 0.01 1 258 146 145 ALA N N 123.356 0.1 1 259 147 146 GLN H H 8.016 0.01 1 260 147 146 GLN N N 115.006 0.1 1 261 148 147 SER H H 7.966 0.01 1 262 148 147 SER N N 115.763 0.1 1 263 149 148 GLN H H 7.684 0.01 1 264 149 148 GLN N N 120.225 0.1 1 265 150 149 ALA H H 7.765 0.01 1 266 150 149 ALA N N 122.528 0.1 1 267 151 150 LYS H H 7.828 0.01 1 268 151 150 LYS N N 119.014 0.1 1 269 152 151 THR H H 7.989 0.01 1 270 152 151 THR N N 117.490 0.1 1 271 157 156 ARG H H 8.364 0.01 1 272 157 156 ARG N N 121.833 0.1 1 273 158 157 ALA H H 8.355 0.01 1 274 158 157 ALA N N 127.479 0.1 1 275 160 159 THR H H 8.161 0.01 1 276 160 159 THR N N 115.077 0.1 1 277 161 160 LEU H H 8.179 0.01 1 278 161 160 LEU N N 125.206 0.1 1 279 162 161 PHE H H 8.222 0.01 1 280 162 161 PHE N N 121.744 0.1 1 281 163 162 HIS H H 8.298 0.01 1 282 163 162 HIS N N 121.655 0.1 1 283 164 163 GLU H H 8.467 0.01 1 284 164 163 GLU N N 123.783 0.1 1 285 165 164 GLU H H 8.520 0.01 1 286 165 164 GLU N N 123.382 0.1 1 287 166 165 ALA H H 7.991 0.01 1 288 166 165 ALA N N 131.366 0.1 1 stop_ save_