data_16634 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Dynamics and Global Effects of an Activity Enhancing Mutation in Minimized Mtu RecA Inteins ; _BMRB_accession_number 16634 _BMRB_flat_file_name bmr16634.str _Entry_type original _Submission_date 2009-12-15 _Accession_date 2009-12-15 _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 Du Zhenming . . 2 Liu Yangzhong . . 3 Ban David . . 4 Lopez Maria . . 5 Belfort Marlene . . 6 Wang Chunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 132 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'Complete entry citation' 2010-06-28 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15560 'L67V mutation' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone dynamics and global effects of an activating mutation in minimized Mtu RecA inteins.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20562025 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Du Zhenming . . 2 Liu Yangzhong . . 3 Ban David . . 4 Lopez Maria M. . 5 Belfort Marlene . . 6 Wang Chunyu . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 400 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 755 _Page_last 767 _Year 2010 _Details . loop_ _Keyword 'chemical exchange' 'chemical shift perturbation' 'HD exchange' Intein 'protein dynamics' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ddIhh-V67CM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ddIhh-V67CM $Mtu_RecA_intein 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_Mtu_RecA_intein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mtu_RecA_intein _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; CLAEGTRIFDPVTGTTHRIE DVVGGRKPIHVVAAAKDGTL HARPVVSWFDQGTRDVIGLR IAGGAIVWATPDHKVLTEYG WRAAGELRKGDRVAVRDVET GELRYSVIREVLPTRRARTF GLEVEELHTLVAEGVVVHN ; loop_ _Residue_seq_code _Residue_label 1 CYS 2 LEU 3 ALA 4 GLU 5 GLY 6 THR 7 ARG 8 ILE 9 PHE 10 ASP 11 PRO 12 VAL 13 THR 14 GLY 15 THR 16 THR 17 HIS 18 ARG 19 ILE 20 GLU 21 ASP 22 VAL 23 VAL 24 GLY 25 GLY 26 ARG 27 LYS 28 PRO 29 ILE 30 HIS 31 VAL 32 VAL 33 ALA 34 ALA 35 ALA 36 LYS 37 ASP 38 GLY 39 THR 40 LEU 41 HIS 42 ALA 43 ARG 44 PRO 45 VAL 46 VAL 47 SER 48 TRP 49 PHE 50 ASP 51 GLN 52 GLY 53 THR 54 ARG 55 ASP 56 VAL 57 ILE 58 GLY 59 LEU 60 ARG 61 ILE 62 ALA 63 GLY 64 GLY 65 ALA 66 ILE 67 VAL 68 TRP 69 ALA 70 THR 71 PRO 72 ASP 73 HIS 74 LYS 75 VAL 76 LEU 77 THR 78 GLU 79 TYR 80 GLY 81 TRP 82 ARG 83 ALA 84 ALA 85 GLY 86 GLU 87 LEU 88 ARG 89 LYS 90 GLY 91 ASP 92 ARG 93 VAL 94 ALA 95 VAL 96 ARG 97 ASP 98 VAL 99 GLU 100 THR 101 GLY 102 GLU 103 LEU 104 ARG 105 TYR 106 SER 107 VAL 108 ILE 109 ARG 110 GLU 111 VAL 112 LEU 113 PRO 114 THR 115 ARG 116 ARG 117 ALA 118 ARG 119 THR 120 PHE 121 GLY 122 LEU 123 GLU 124 VAL 125 GLU 126 GLU 127 LEU 128 HIS 129 THR 130 LEU 131 VAL 132 ALA 133 GLU 134 GLY 135 VAL 136 VAL 137 VAL 138 HIS 139 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-12 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 15560 DDI-CM 100.00 139 99.28 100.00 4.46e-91 BMRB 17414 RecA 100.00 139 98.56 99.28 4.56e-90 PDB 2IN0 "Crystal Structure Of Mtu Reca Intein Splicing Domain" 100.00 139 97.84 98.56 3.59e-89 PDB 2IN8 "Crystal Structure Of Mtu Reca Intein, Splicing Domain" 100.00 139 99.28 100.00 4.46e-91 PDB 2IN9 "Crystal Structure Of Mtu Reca Intein, Splicing Domain" 100.00 139 98.56 98.56 1.50e-89 PDB 2L8L "Structure Of An Engineered Splicing Intein Mutant Based On Mycobacterium Tuberculosis Reca" 100.00 139 97.84 98.56 3.59e-89 PDB 3IFJ "Crystal Structure Of Mtu Reca Intein, Splicing Domain" 99.28 139 97.83 98.55 5.33e-88 PDB 3IGD "Crystal Structure Of Mtu Reca Intein, Splicing Domain" 99.28 139 98.55 98.55 4.15e-88 EMBL CFR77613 "recombinase A [Mycobacterium tuberculosis]" 67.63 429 98.94 98.94 1.30e-55 EMBL CMM98736 "recombinase A [Mycobacterium tuberculosis]" 67.63 397 98.94 98.94 9.51e-57 GB EPZ65824 "LOW QUALITY PROTEIN: hypothetical protein TBKG_03998, partial [Mycobacterium tuberculosis '98-R604 INH-RIF-EM']" 67.63 609 98.94 98.94 1.18e-54 GB KAM73204 "protein RecA, partial [Mycobacterium tuberculosis TKK_04_0097]" 67.63 582 98.94 98.94 1.19e-54 REF WP_049963343 "DNA recombination protein RecA, partial [Mycobacterium tuberculosis]" 67.63 582 98.94 98.94 1.19e-54 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Mtu_RecA_intein 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis 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 $Mtu_RecA_intein 'recombinant technology' . Escherichia coli . pXI 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Mtu_RecA_intein . mM 0.15 0.3 '[U-99% 13C; U-99% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' NaH2PO4/Na2HPO4 50 mM . . 'natural abundance' NaCl 100 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 0.15 . M pH 7.0 . pH pressure 1 . atm temperature 298 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 '2D 1H-15N HSQC' '3D HNCACB' 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 ddIhh-V67CM _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 2 LEU H H 8.99 0.02 1 2 2 2 LEU N N 122.93 0.20 1 3 3 3 ALA H H 8.20 0.02 1 4 3 3 ALA N N 120.95 0.20 1 5 4 4 GLU H H 8.77 0.02 1 6 4 4 GLU N N 121.27 0.20 1 7 5 5 GLY H H 11.31 0.02 1 8 5 5 GLY N N 120.12 0.20 1 9 6 6 THR H H 7.89 0.02 1 10 6 6 THR N N 116.93 0.20 1 11 7 7 ARG H H 9.63 0.02 1 12 7 7 ARG N N 130.46 0.20 1 13 8 8 ILE H H 9.55 0.02 1 14 8 8 ILE N N 123.15 0.20 1 15 9 9 PHE H H 8.26 0.02 1 16 9 9 PHE N N 129.25 0.20 1 17 10 10 ASP H H 8.31 0.02 1 18 10 10 ASP N N 128.20 0.20 1 19 12 12 VAL H H 8.98 0.02 1 20 12 12 VAL N N 124.20 0.20 1 21 13 13 THR H H 7.16 0.02 1 22 13 13 THR N N 107.23 0.20 1 23 14 14 GLY H H 8.40 0.02 1 24 14 14 GLY N N 113.00 0.20 1 25 15 15 THR H H 7.67 0.02 1 26 15 15 THR N N 117.23 0.20 1 27 16 16 THR H H 8.52 0.02 1 28 16 16 THR N N 120.43 0.20 1 29 17 17 HIS H H 9.03 0.02 1 30 17 17 HIS N N 126.87 0.20 1 31 18 18 ARG H H 9.39 0.02 1 32 18 18 ARG N N 120.88 0.20 1 33 19 19 ILE H H 9.08 0.02 1 34 19 19 ILE N N 125.49 0.20 1 35 20 20 GLU H H 10.85 0.02 1 36 20 20 GLU N N 123.73 0.20 1 37 21 21 ASP H H 7.31 0.02 1 38 21 21 ASP N N 124.53 0.20 1 39 22 22 VAL H H 7.47 0.02 1 40 22 22 VAL N N 122.03 0.20 1 41 23 23 VAL H H 8.35 0.02 1 42 23 23 VAL N N 116.68 0.20 1 43 24 24 GLY H H 8.33 0.02 1 44 24 24 GLY N N 108.24 0.20 1 45 25 25 GLY H H 7.36 0.02 1 46 25 25 GLY N N 103.80 0.20 1 47 26 26 ARG H H 7.28 0.02 1 48 26 26 ARG N N 122.15 0.20 1 49 27 27 LYS H H 8.05 0.02 1 50 27 27 LYS N N 115.88 0.20 1 51 29 29 ILE H H 7.54 0.02 1 52 29 29 ILE N N 116.71 0.20 1 53 30 30 HIS H H 8.28 0.02 1 54 30 30 HIS N N 118.39 0.20 1 55 31 31 VAL H H 8.61 0.02 1 56 31 31 VAL N N 107.33 0.20 1 57 32 32 VAL H H 8.88 0.02 1 58 32 32 VAL N N 120.02 0.20 1 59 33 33 ALA H H 9.30 0.02 1 60 33 33 ALA N N 129.10 0.20 1 61 34 34 ALA H H 8.12 0.02 1 62 34 34 ALA N N 121.30 0.20 1 63 35 35 ALA H H 9.11 0.02 1 64 35 35 ALA N N 125.98 0.20 1 65 36 36 LYS H H 9.00 0.02 1 66 36 36 LYS N N 121.19 0.20 1 67 37 37 ASP H H 7.78 0.02 1 68 37 37 ASP N N 115.85 0.20 1 69 38 38 GLY H H 8.16 0.02 1 70 38 38 GLY N N 107.75 0.20 1 71 39 39 THR H H 7.70 0.02 1 72 39 39 THR N N 110.45 0.20 1 73 40 40 LEU H H 8.26 0.02 1 74 40 40 LEU N N 120.88 0.20 1 75 41 41 HIS H H 9.26 0.02 1 76 41 41 HIS N N 120.29 0.20 1 77 42 42 ALA H H 9.19 0.02 1 78 42 42 ALA N N 125.37 0.20 1 79 43 43 ARG H H 9.02 0.02 1 80 43 43 ARG N N 124.69 0.20 1 81 45 45 VAL H H 7.86 0.02 1 82 45 45 VAL N N 119.25 0.20 1 83 46 46 VAL H H 8.24 0.02 1 84 46 46 VAL N N 114.74 0.20 1 85 47 47 SER H H 6.48 0.02 1 86 47 47 SER N N 113.42 0.20 1 87 48 48 TRP H H 7.65 0.02 1 88 48 48 TRP N N 120.81 0.20 1 89 49 49 PHE H H 8.90 0.02 1 90 49 49 PHE N N 120.48 0.20 1 91 50 50 ASP H H 9.10 0.02 1 92 50 50 ASP N N 127.61 0.20 1 93 51 51 GLN H H 8.01 0.02 1 94 51 51 GLN N N 123.41 0.20 1 95 52 52 GLY H H 8.06 0.02 1 96 52 52 GLY N N 108.53 0.20 1 97 53 53 THR H H 8.65 0.02 1 98 53 53 THR N N 119.30 0.20 1 99 54 54 ARG H H 8.87 0.02 1 100 54 54 ARG N N 126.12 0.20 1 101 55 55 ASP H H 8.03 0.02 1 102 55 55 ASP N N 119.74 0.20 1 103 56 56 VAL H H 9.49 0.02 1 104 56 56 VAL N N 114.61 0.20 1 105 57 57 ILE H H 8.98 0.02 1 106 57 57 ILE N N 114.80 0.20 1 107 58 58 GLY H H 6.71 0.02 1 108 58 58 GLY N N 107.67 0.20 1 109 59 59 LEU H H 8.72 0.02 1 110 59 59 LEU N N 123.52 0.20 1 111 60 60 ARG H H 8.62 0.02 1 112 60 60 ARG N N 123.88 0.20 1 113 61 61 ILE H H 9.13 0.02 1 114 61 61 ILE N N 128.53 0.20 1 115 62 62 ALA H H 8.62 0.02 1 116 62 62 ALA N N 128.60 0.20 1 117 64 64 GLY H H 8.21 0.02 1 118 64 64 GLY N N 107.92 0.20 1 119 65 65 ALA H H 7.98 0.02 1 120 65 65 ALA N N 125.50 0.20 1 121 66 66 ILE H H 8.09 0.02 1 122 66 66 ILE N N 118.66 0.20 1 123 67 67 VAL H H 8.14 0.02 1 124 67 67 VAL N N 125.29 0.20 1 125 68 68 TRP H H 9.72 0.02 1 126 68 68 TRP N N 129.00 0.20 1 127 69 69 ALA H H 8.92 0.02 1 128 69 69 ALA N N 124.45 0.20 1 129 70 70 THR H H 8.74 0.02 1 130 70 70 THR N N 112.26 0.20 1 131 72 72 ASP H H 8.74 0.02 1 132 72 72 ASP N N 112.26 0.20 1 133 73 73 HIS H H 8.34 0.02 1 134 73 73 HIS N N 125.14 0.20 1 135 74 74 LYS H H 8.42 0.02 1 136 74 74 LYS N N 127.66 0.20 1 137 75 75 VAL H H 9.46 0.02 1 138 75 75 VAL N N 125.63 0.20 1 139 76 76 LEU H H 8.20 0.02 1 140 76 76 LEU N N 129.93 0.20 1 141 77 77 THR H H 7.40 0.02 1 142 77 77 THR N N 116.34 0.20 1 143 78 78 GLU H H 8.18 0.02 1 144 78 78 GLU N N 120.13 0.20 1 145 79 79 TYR H H 7.73 0.02 1 146 79 79 TYR N N 117.29 0.20 1 147 80 80 GLY H H 7.36 0.02 1 148 80 80 GLY N N 106.92 0.20 1 149 81 81 TRP H H 9.13 0.02 1 150 81 81 TRP N N 125.82 0.20 1 151 82 82 ARG H H 9.41 0.02 1 152 82 82 ARG N N 124.63 0.20 1 153 83 83 ALA H H 8.84 0.02 1 154 83 83 ALA N N 126.02 0.20 1 155 84 84 ALA H H 9.34 0.02 1 156 84 84 ALA N N 125.84 0.20 1 157 85 85 GLY H H 9.75 0.02 1 158 85 85 GLY N N 102.34 0.20 1 159 86 86 GLU H H 8.15 0.02 1 160 86 86 GLU N N 117.62 0.20 1 161 87 87 LEU H H 7.21 0.02 1 162 87 87 LEU N N 119.83 0.20 1 163 88 88 ARG H H 9.11 0.02 1 164 88 88 ARG N N 120.80 0.20 1 165 89 89 LYS H H 8.45 0.02 1 166 89 89 LYS N N 119.88 0.20 1 167 90 90 GLY H H 8.86 0.02 1 168 90 90 GLY N N 115.05 0.20 1 169 91 91 ASP H H 8.18 0.02 1 170 91 91 ASP N N 121.76 0.20 1 171 92 92 ARG H H 8.82 0.02 1 172 92 92 ARG N N 118.10 0.20 1 173 93 93 VAL H H 8.86 0.02 1 174 93 93 VAL N N 115.39 0.20 1 175 94 94 ALA H H 8.54 0.02 1 176 94 94 ALA N N 126.20 0.20 1 177 95 95 VAL H H 8.87 0.02 1 178 95 95 VAL N N 115.63 0.20 1 179 96 96 ARG H H 8.15 0.02 1 180 96 96 ARG N N 119.79 0.20 1 181 97 97 ASP H H 8.89 0.02 1 182 97 97 ASP N N 131.32 0.20 1 183 98 98 VAL H H 8.46 0.02 1 184 98 98 VAL N N 126.17 0.20 1 185 99 99 GLU H H 8.22 0.02 1 186 99 99 GLU N N 118.98 0.20 1 187 100 100 THR H H 8.05 0.02 1 188 100 100 THR N N 106.43 0.20 1 189 101 101 GLY H H 8.20 0.02 1 190 101 101 GLY N N 111.27 0.20 1 191 102 102 GLU H H 7.54 0.02 1 192 102 102 GLU N N 118.54 0.20 1 193 103 103 LEU H H 8.39 0.02 1 194 103 103 LEU N N 121.66 0.20 1 195 104 104 ARG H H 9.09 0.02 1 196 104 104 ARG N N 126.87 0.20 1 197 105 105 TYR H H 8.35 0.02 1 198 105 105 TYR N N 116.45 0.20 1 199 106 106 SER H H 9.28 0.02 1 200 106 106 SER N N 118.45 0.20 1 201 107 107 VAL H H 8.35 0.02 1 202 107 107 VAL N N 122.19 0.20 1 203 108 108 ILE H H 8.76 0.02 1 204 108 108 ILE N N 123.42 0.20 1 205 109 109 ARG H H 9.53 0.02 1 206 109 109 ARG N N 130.35 0.20 1 207 110 110 GLU H H 7.66 0.02 1 208 110 110 GLU N N 117.05 0.20 1 209 111 111 VAL H H 8.72 0.02 1 210 111 111 VAL N N 125.74 0.20 1 211 112 112 LEU H H 9.77 0.02 1 212 112 112 LEU N N 132.54 0.20 1 213 114 114 THR H H 7.75 0.02 1 214 114 114 THR N N 112.94 0.20 1 215 115 115 ARG H H 9.16 0.02 1 216 115 115 ARG N N 123.40 0.20 1 217 116 116 ARG H H 8.40 0.02 1 218 116 116 ARG N N 119.22 0.20 1 219 117 117 ALA H H 8.75 0.02 1 220 117 117 ALA N N 125.06 0.20 1 221 118 118 ARG H H 8.74 0.02 1 222 118 118 ARG N N 120.97 0.20 1 223 119 119 THR H H 7.76 0.02 1 224 119 119 THR N N 111.55 0.20 1 225 120 120 PHE H H 8.98 0.02 1 226 120 120 PHE N N 114.80 0.20 1 227 121 121 GLY H H 9.53 0.02 1 228 121 121 GLY N N 107.77 0.20 1 229 122 122 LEU H H 8.43 0.02 1 230 122 122 LEU N N 118.87 0.20 1 231 123 123 GLU H H 7.09 0.02 1 232 123 123 GLU N N 118.58 0.20 1 233 124 124 VAL H H 8.86 0.02 1 234 124 124 VAL N N 129.45 0.20 1 235 125 125 GLU H H 8.15 0.02 1 236 125 125 GLU N N 128.75 0.20 1 237 126 126 GLU H H 8.54 0.02 1 238 126 126 GLU N N 121.11 0.20 1 239 127 127 LEU H H 9.42 0.02 1 240 127 127 LEU N N 120.83 0.20 1 241 128 128 HIS H H 7.10 0.02 1 242 128 128 HIS N N 107.70 0.20 1 243 129 129 THR H H 6.93 0.02 1 244 129 129 THR N N 105.49 0.20 1 245 130 130 LEU H H 9.13 0.02 1 246 130 130 LEU N N 111.69 0.20 1 247 131 131 VAL H H 7.58 0.02 1 248 131 131 VAL N N 119.63 0.20 1 249 132 132 ALA H H 9.73 0.02 1 250 132 132 ALA N N 135.06 0.20 1 251 133 133 GLU H H 8.99 0.02 1 252 133 133 GLU N N 118.07 0.20 1 253 134 134 GLY H H 7.23 0.02 1 254 134 134 GLY N N 100.07 0.20 1 255 135 135 VAL H H 8.06 0.02 1 256 135 135 VAL N N 122.51 0.20 1 257 136 136 VAL H H 8.28 0.02 1 258 136 136 VAL N N 126.47 0.20 1 259 137 137 VAL H H 9.37 0.02 1 260 137 137 VAL N N 118.76 0.20 1 261 138 138 HIS H H 8.66 0.02 1 262 138 138 HIS N N 120.69 0.20 1 263 139 139 ASN H H 7.82 0.02 1 264 139 139 ASN N N 126.26 0.20 1 stop_ save_