data_4090 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of the I gamma Subdomain of the Mu end DNA Binding Domain of Mu Phage Transposase, Minimized Average Structure ; _BMRB_accession_number 4090 _BMRB_flat_file_name bmr4090.str _Entry_type original _Submission_date 1997-12-31 _Accession_date 1997-12-31 _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 Clore G. M. . 2 Clubb R. T. . 3 Schumaker S. . . 4 Gronenborn A. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 376 "13C chemical shifts" 237 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-04-04 original author . stop_ _Original_release_date 2000-04-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the I gamma subdomain of the Mu end DNA-binding domain of phage Mu transposase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 98035037 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Clubb R. T. . 2 Schumacher S. . . 3 Mizuuchi K. . . 4 Gronenborn A. M. . 5 Clore G. M. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 273 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 19 _Page_last 25 _Year 1997 _Details . loop_ _Keyword 'DNA-Binding Protein' Transposition stop_ save_ ################################## # Molecular system description # ################################## save_system_transposase _Saveframe_category molecular_system _Mol_system_name Transposase _Abbreviation_common Transposase _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Transposase $Transposase stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Transposase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Transposase _Abbreviation_common Transposase _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; MNVHKSEFDEDAWQFLIADY LRPEKPAFRKCYERLELAAR EHGWSIPSRATAFRRIQQLD EAMVVACREGEHALM ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 VAL 4 HIS 5 LYS 6 SER 7 GLU 8 PHE 9 ASP 10 GLU 11 ASP 12 ALA 13 TRP 14 GLN 15 PHE 16 LEU 17 ILE 18 ALA 19 ASP 20 TYR 21 LEU 22 ARG 23 PRO 24 GLU 25 LYS 26 PRO 27 ALA 28 PHE 29 ARG 30 LYS 31 CYS 32 TYR 33 GLU 34 ARG 35 LEU 36 GLU 37 LEU 38 ALA 39 ALA 40 ARG 41 GLU 42 HIS 43 GLY 44 TRP 45 SER 46 ILE 47 PRO 48 SER 49 ARG 50 ALA 51 THR 52 ALA 53 PHE 54 ARG 55 ARG 56 ILE 57 GLN 58 GLN 59 LEU 60 ASP 61 GLU 62 ALA 63 MET 64 VAL 65 VAL 66 ALA 67 CYS 68 ARG 69 GLU 70 GLY 71 GLU 72 HIS 73 ALA 74 LEU 75 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-18 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 2EZH "Solution Nmr Structure Of The Igamma Subdomain Of The Mu End Dna Binding Domain Of Mu Phage Transposase, Minimized Average Stru" 100.00 75 100.00 100.00 2.09e-47 PDB 2EZI "Solution Nmr Structure Of The Igamma Subdomain Of The Mu End Dna Binding Domain Of Mu Phage Transposase, 30 Structures" 100.00 75 100.00 100.00 2.09e-47 PDB 4FCY "Crystal Structure Of The Bacteriophage Mu Transpososome" 98.67 529 100.00 100.00 2.66e-43 DBJ BAG78136 "putative phage transposase [Escherichia coli SE11]" 98.67 665 100.00 100.00 4.30e-43 EMBL CDL02921 "DNA transposition protein [Escherichia coli IS35]" 98.67 663 98.65 100.00 7.73e-43 EMBL CDP68214 "DNA transposition protein A [Escherichia coli D6-113.11]" 98.67 666 100.00 100.00 4.41e-43 EMBL CDU35405 "DNA transposition protein A [Escherichia coli D6-113.11]" 98.67 666 100.00 100.00 4.41e-43 EMBL CDX05968 "putative transposase,Bacteriophage Mu transposase [Shigella flexneri]" 98.67 544 100.00 100.00 2.62e-43 EMBL CEP55663 "putative transposase [Shigella flexneri 2a]" 98.67 544 100.00 100.00 2.62e-43 GB AAA32369 "transposase [Enterobacteria phage Mu]" 98.67 663 100.00 100.00 3.23e-43 GB AAA32379 "A [Enterobacteria phage Mu]" 98.67 663 100.00 100.00 3.07e-43 GB AAF01083 "A [Enterobacteria phage Mu]" 98.67 663 100.00 100.00 3.23e-43 GB AAN42297 "putative phage transposase [Shigella flexneri 2a str. 301]" 98.67 484 100.00 100.00 1.32e-43 GB AAP16168 "putative phage transposase [Shigella flexneri 2a str. 2457T]" 98.67 484 100.00 100.00 1.32e-43 REF NP_050607 "transposase [Enterobacteria phage Mu]" 98.67 663 100.00 100.00 3.23e-43 REF NP_706590 "phage transposase [Shigella flexneri 2a str. 301]" 98.67 484 100.00 100.00 1.32e-43 REF WP_000424754 "transposase [Escherichia coli]" 98.67 663 100.00 100.00 3.23e-43 REF WP_000424755 "transposase [Escherichia coli]" 98.67 663 100.00 100.00 2.78e-43 REF WP_000424756 "transposase [Escherichia coli]" 98.67 663 100.00 100.00 2.81e-43 SP P07636 "RecName: Full=DDE-recombinase A; AltName: Full=DDE-transposase A; AltName: Full=Gene product 03; Short=gp03; AltName: Full=Gene" 98.67 663 100.00 100.00 3.23e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Transposase . . . . . . 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 $Transposase . . . . . . 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 $Transposase . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.3 . n/a temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _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_citation_label _Correction_value_citation_label . C 13 . . . . . . . . $entry_citation $entry_citation . H 1 . . . . . . . . $entry_citation $entry_citation . N 15 . . . . . . . . $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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chem_shift_ref _Mol_system_component_name Transposase _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 ASN HA H 4.8200 . . 2 . 2 ASN CA C 53.2300 . . 3 . 2 ASN HB3 H 2.7500 . . 4 . 2 ASN HB2 H 2.8300 . . 5 . 2 ASN CB C 39.0700 . . 6 . 2 ASN ND2 N 112.7500 . . 7 . 2 ASN HD21 H 6.9500 . . 8 . 2 ASN HD22 H 7.6200 . . 9 . 3 VAL H H 8.2300 . . 10 . 3 VAL N N 120.6100 . . 11 . 3 VAL HA H 4.0800 . . 12 . 3 VAL CA C 62.3800 . . 13 . 3 VAL HB H 2.0500 . . 14 . 3 VAL CB C 32.8300 . . 15 . 3 VAL HG1 H 0.8400 . . 16 . 3 VAL CG1 C 20.2900 . . 17 . 3 VAL HG2 H 0.8400 . . 18 . 3 VAL CG2 C 21.1600 . . 19 . 4 HIS H H 8.4800 . . 20 . 4 HIS N N 122.7000 . . 21 . 4 HIS HA H 4.6700 . . 22 . 4 HIS CA C 55.8100 . . 23 . 4 HIS HB3 H 3.1300 . . 24 . 4 HIS HB2 H 3.2300 . . 25 . 4 HIS CB C 30.0200 . . 26 . 5 LYS H H 8.3000 . . 27 . 5 LYS N N 123.4600 . . 28 . 5 LYS HA H 4.3300 . . 29 . 5 LYS CA C 56.2500 . . 30 . 5 LYS HB3 H 1.7500 . . 31 . 5 LYS HB2 H 1.8200 . . 32 . 5 LYS CB C 33.2900 . . 33 . 5 LYS HG3 H 1.4000 . . 34 . 5 LYS CG C 24.6900 . . 35 . 5 LYS HD3 H 1.6900 . . 36 . 5 LYS CD C 29.2100 . . 37 . 5 LYS HE3 H 3.0000 . . 38 . 5 LYS CE C 42.3300 . . 39 . 6 SER H H 8.4300 . . 40 . 6 SER N N 117.1000 . . 41 . 6 SER HA H 4.4200 . . 42 . 6 SER CA C 58.3600 . . 43 . 6 SER HB3 H 3.8200 . . 44 . 6 SER HB2 H 3.8700 . . 45 . 6 SER CB C 63.9600 . . 46 . 7 GLU H H 8.3700 . . 47 . 7 GLU N N 122.5700 . . 48 . 7 GLU HA H 4.1700 . . 49 . 7 GLU CA C 57.0000 . . 50 . 7 GLU HB3 H 1.8800 . . 51 . 7 GLU HB2 H 1.9500 . . 52 . 7 GLU CB C 30.7100 . . 53 . 7 GLU HG3 H 2.2000 . . 54 . 7 GLU CG C 36.4900 . . 55 . 8 PHE H H 8.0800 . . 56 . 8 PHE N N 118.9000 . . 57 . 8 PHE HA H 4.8500 . . 58 . 8 PHE CA C 55.2200 . . 59 . 8 PHE HB3 H 2.6600 . . 60 . 8 PHE HB2 H 3.3400 . . 61 . 8 PHE CB C 39.9200 . . 62 . 8 PHE HD1 H 7.3400 . . 63 . 8 PHE CD1 C 131.5500 . . 64 . 9 ASP H H 8.5500 . . 65 . 9 ASP N N 124.3500 . . 66 . 9 ASP HA H 4.6400 . . 67 . 9 ASP CA C 55.9000 . . 68 . 9 ASP HB3 H 2.4400 . . 69 . 9 ASP HB2 H 2.7100 . . 70 . 9 ASP CB C 41.6200 . . 71 . 10 GLU H H 9.0500 . . 72 . 10 GLU N N 126.1000 . . 73 . 10 GLU HA H 4.1300 . . 74 . 10 GLU CA C 59.7900 . . 75 . 10 GLU HB3 H 1.9700 . . 76 . 10 GLU HB2 H 2.1100 . . 77 . 10 GLU CB C 29.2800 . . 78 . 10 GLU HG3 H 2.4100 . . 79 . 10 GLU CG C 35.6400 . . 80 . 11 ASP H H 8.7200 . . 81 . 11 ASP N N 117.0200 . . 82 . 11 ASP HA H 4.1000 . . 83 . 11 ASP CA C 57.0000 . . 84 . 11 ASP HB3 H 1.8900 . . 85 . 11 ASP HB2 H 2.2600 . . 86 . 11 ASP CB C 39.2800 . . 87 . 12 ALA H H 6.5200 . . 88 . 12 ALA N N 120.8100 . . 89 . 12 ALA HA H 3.0200 . . 90 . 12 ALA CA C 53.3000 . . 91 . 12 ALA HB H 1.3500 . . 92 . 12 ALA CB C 19.5000 . . 93 . 13 TRP H H 7.7000 . . 94 . 13 TRP N N 119.4400 . . 95 . 13 TRP HA H 4.1700 . . 96 . 13 TRP CA C 59.2700 . . 97 . 13 TRP HB3 H 3.0400 . . 98 . 13 TRP HB2 H 2.3500 . . 99 . 13 TRP CB C 29.5600 . . 100 . 13 TRP HD1 H 7.1500 . . 101 . 13 TRP CD1 C 127.8000 . . 102 . 13 TRP HZ2 H 7.3200 . . 103 . 13 TRP CZ2 C 114.8400 . . 104 . 13 TRP HH2 H 6.7500 . . 105 . 13 TRP CH2 C 123.5800 . . 106 . 14 GLN H H 8.0800 . . 107 . 14 GLN N N 114.0500 . . 108 . 14 GLN HA H 3.5600 . . 109 . 14 GLN CA C 58.3700 . . 110 . 14 GLN HB3 H 1.9100 . . 111 . 14 GLN HB2 H 2.0500 . . 112 . 14 GLN CB C 27.6700 . . 113 . 14 GLN HG3 H 2.5400 . . 114 . 14 GLN CG C 33.8100 . . 115 . 14 GLN HE21 H 6.7500 . . 116 . 14 GLN HE22 H 7.7100 . . 117 . 14 GLN NE2 N 112.4000 . . 118 . 15 PHE H H 7.5100 . . 119 . 15 PHE N N 120.7700 . . 120 . 15 PHE HA H 3.9700 . . 121 . 15 PHE CA C 61.6800 . . 122 . 15 PHE CB C 39.8000 . . 123 . 15 PHE HB3 H 3.1000 . . 124 . 15 PHE HB2 H 3.4000 . . 125 . 15 PHE HD1 H 7.3500 . . 126 . 15 PHE CD1 C 132.2800 . . 127 . 16 LEU H H 8.0500 . . 128 . 16 LEU N N 120.1500 . . 129 . 16 LEU HA H 4.6200 . . 130 . 16 LEU CA C 57.4600 . . 131 . 16 LEU HB3 H 1.8600 . . 132 . 16 LEU HB2 H 2.1300 . . 133 . 16 LEU CB C 41.9000 . . 134 . 16 LEU HD1 H 1.0200 . . 135 . 16 LEU CD1 C 23.2500 . . 136 . 16 LEU HD2 H 1.3200 . . 137 . 16 LEU CD2 C 27.2000 . . 138 . 17 ILE H H 8.1500 . . 139 . 17 ILE N N 115.5100 . . 140 . 17 ILE HA H 3.5900 . . 141 . 17 ILE CA C 64.8800 . . 142 . 17 ILE HB H 1.3500 . . 143 . 17 ILE CB C 37.1800 . . 144 . 17 ILE HG2 H 0.2600 . . 145 . 17 ILE CG2 C 17.8400 . . 146 . 17 ILE HG13 H 0.6400 . . 147 . 17 ILE HG12 H 0.9300 . . 148 . 17 ILE CG1 C 27.1300 . . 149 . 17 ILE HD1 H 0.3600 . . 150 . 17 ILE CD1 C 12.5800 . . 151 . 18 ALA H H 7.5800 . . 152 . 18 ALA N N 121.0700 . . 153 . 18 ALA HA H 3.9600 . . 154 . 18 ALA CA C 54.3700 . . 155 . 18 ALA CB C 17.8700 . . 156 . 18 ALA HB H 1.2600 . . 157 . 19 ASP H H 7.2400 . . 158 . 19 ASP N N 116.4300 . . 159 . 19 ASP HA H 4.2600 . . 160 . 19 ASP CA C 55.8600 . . 161 . 19 ASP HB3 H 2.4400 . . 162 . 19 ASP HB2 H 2.9100 . . 163 . 19 ASP CB C 42.3500 . . 164 . 20 TYR H H 8.5100 . . 165 . 20 TYR N N 115.0500 . . 166 . 20 TYR HA H 4.2700 . . 167 . 20 TYR CA C 61.6000 . . 168 . 20 TYR HB3 H 2.7100 . . 169 . 20 TYR HB2 H 3.2300 . . 170 . 20 TYR CB C 40.2200 . . 171 . 20 TYR HD1 H 7.1500 . . 172 . 20 TYR CD1 C 131.0000 . . 173 . 20 TYR HE1 H 6.9300 . . 174 . 20 TYR CE1 C 118.2000 . . 175 . 21 LEU H H 8.0200 . . 176 . 21 LEU N N 116.4400 . . 177 . 21 LEU HA H 4.2200 . . 178 . 21 LEU CA C 53.5600 . . 179 . 21 LEU HB3 H 1.4800 . . 180 . 21 LEU HB2 H 1.9500 . . 181 . 21 LEU CB C 39.2800 . . 182 . 21 LEU HG H 1.9000 . . 183 . 21 LEU CG C 26.8600 . . 184 . 21 LEU HD1 H 0.8800 . . 185 . 21 LEU CD1 C 24.0000 . . 186 . 21 LEU HD2 H 0.9300 . . 187 . 21 LEU CD2 C 26.5500 . . 188 . 22 ARG H H 7.3500 . . 189 . 22 ARG N N 120.1000 . . 190 . 22 ARG HA H 4.6200 . . 191 . 22 ARG CA C 54.8200 . . 192 . 22 ARG HB3 H 1.6500 . . 193 . 22 ARG HB2 H 2.0800 . . 194 . 22 ARG CB C 31.1900 . . 195 . 23 PRO CA C 64.6500 . . 196 . 23 PRO HA H 4.5300 . . 197 . 23 PRO HB3 H 1.9600 . . 198 . 23 PRO HB2 H 2.2200 . . 199 . 23 PRO CB C 31.6700 . . 200 . 23 PRO HG3 H 2.0400 . . 201 . 23 PRO CG C 27.5600 . . 202 . 23 PRO HD3 H 3.8000 . . 203 . 23 PRO CD C 50.9000 . . 204 . 24 GLU H H 8.2300 . . 205 . 24 GLU N N 116.6600 . . 206 . 24 GLU HA H 4.0400 . . 207 . 24 GLU CA C 58.9100 . . 208 . 24 GLU HB3 H 1.8200 . . 209 . 24 GLU HB2 H 1.9600 . . 210 . 24 GLU CB C 28.7700 . . 211 . 24 GLU HG3 H 2.1800 . . 212 . 24 GLU HG2 H 2.3800 . . 213 . 24 GLU CG C 37.4000 . . 214 . 25 LYS H H 8.3200 . . 215 . 25 LYS N N 115.5800 . . 216 . 25 LYS HA H 3.8100 . . 217 . 25 LYS CA C 56.5500 . . 218 . 25 LYS HB3 H 1.7800 . . 219 . 25 LYS CB C 30.7900 . . 220 . 25 LYS HG3 H 1.3000 . . 221 . 25 LYS HG2 H 1.4200 . . 222 . 25 LYS CG C 25.0900 . . 223 . 25 LYS HD3 H 1.6700 . . 224 . 25 LYS CD C 29.3800 . . 225 . 25 LYS HE3 H 2.9800 . . 226 . 25 LYS CE C 41.9100 . . 227 . 26 PRO HA H 4.4700 . . 228 . 26 PRO CA C 62.4300 . . 229 . 26 PRO HB3 H 1.8500 . . 230 . 26 PRO HB2 H 2.1000 . . 231 . 26 PRO CB C 32.4200 . . 232 . 26 PRO HG3 H 1.7800 . . 233 . 26 PRO HG2 H 2.0900 . . 234 . 26 PRO CG C 29.1600 . . 235 . 26 PRO HD3 H 3.1100 . . 236 . 26 PRO HD2 H 3.5600 . . 237 . 26 PRO CD C 51.2790 . . 238 . 27 ALA H H 8.6100 . . 239 . 27 ALA N N 123.0300 . . 240 . 27 ALA HA H 4.5400 . . 241 . 27 ALA CA C 51.9100 . . 242 . 27 ALA HB H 1.6000 . . 243 . 27 ALA CB C 19.1400 . . 244 . 28 PHE CA C 63.6400 . . 245 . 28 PHE HA H 4.0800 . . 246 . 28 PHE HB3 H 3.0600 . . 247 . 28 PHE HB2 H 3.4650 . . 248 . 28 PHE CB C 38.6800 . . 249 . 28 PHE HD1 H 6.9400 . . 250 . 28 PHE CD1 C 132.2800 . . 251 . 28 PHE HE1 H 7.1700 . . 252 . 28 PHE CE1 C 132.7400 . . 253 . 28 PHE HZ H 7.3000 . . 254 . 29 ARG H H 9.3400 . . 255 . 29 ARG N N 115.9800 . . 256 . 29 ARG HA H 3.6600 . . 257 . 29 ARG CA C 60.1400 . . 258 . 29 ARG HB3 H 1.9500 . . 259 . 29 ARG HB2 H 2.0300 . . 260 . 29 ARG CB C 29.7300 . . 261 . 29 ARG HG2 H 1.6300 . . 262 . 29 ARG HG3 H 1.8200 . . 263 . 29 ARG CG C 27.6900 . . 264 . 29 ARG HD2 H 3.2100 . . 265 . 29 ARG CD C 43.4700 . . 266 . 30 LYS H H 6.9200 . . 267 . 30 LYS N N 117.4500 . . 268 . 30 LYS HA H 4.2400 . . 269 . 30 LYS CA C 57.6400 . . 270 . 30 LYS HB3 H 2.0300 . . 271 . 30 LYS HB2 H 2.1400 . . 272 . 30 LYS CB C 31.5100 . . 273 . 30 LYS HG3 H 1.5400 . . 274 . 30 LYS HG2 H 1.6600 . . 275 . 30 LYS CG C 24.8000 . . 276 . 30 LYS HD3 H 1.8000 . . 277 . 30 LYS CD C 28.1400 . . 278 . 30 LYS HE3 H 3.0300 . . 279 . 30 LYS CE C 41.7000 . . 280 . 31 CYS H H 7.7500 . . 281 . 31 CYS N N 118.6600 . . 282 . 31 CYS HA H 4.3000 . . 283 . 31 CYS CA C 62.0000 . . 284 . 31 CYS HB3 H 2.8800 . . 285 . 31 CYS HB2 H 3.0400 . . 286 . 31 CYS CB C 26.7000 . . 287 . 32 TYR H H 8.8200 . . 288 . 32 TYR N N 121.4900 . . 289 . 32 TYR HA H 3.6800 . . 290 . 32 TYR CA C 63.0200 . . 291 . 32 TYR HB3 H 2.1300 . . 292 . 32 TYR HB2 H 2.6800 . . 293 . 32 TYR CB C 37.6100 . . 294 . 32 TYR HD1 H 6.8600 . . 295 . 32 TYR CD1 C 132.9300 . . 296 . 32 TYR HE1 H 6.6500 . . 297 . 32 TYR CE1 C 118.0500 . . 298 . 33 GLU H H 7.7900 . . 299 . 33 GLU N N 118.7600 . . 300 . 33 GLU HA H 4.2500 . . 301 . 33 GLU CA C 59.6100 . . 302 . 33 GLU HB3 H 2.1700 . . 303 . 33 GLU HB2 H 2.3000 . . 304 . 33 GLU CB C 29.8500 . . 305 . 33 GLU HG3 H 2.3300 . . 306 . 33 GLU HG2 H 2.6100 . . 307 . 33 GLU CG C 36.7300 . . 308 . 34 ARG H H 7.7400 . . 309 . 34 ARG N N 118.3900 . . 310 . 34 ARG CA C 60.2300 . . 311 . 34 ARG HA H 4.0700 . . 312 . 34 ARG CB C 31.3400 . . 313 . 34 ARG HB3 H 1.9300 . . 314 . 34 ARG HB2 H 2.2700 . . 315 . 34 ARG CD C 43.7000 . . 316 . 34 ARG HD3 H 3.1800 . . 317 . 34 ARG HD2 H 3.4400 . . 318 . 35 LEU H H 8.3400 . . 319 . 35 LEU N N 122.6900 . . 320 . 35 LEU HA H 4.1300 . . 321 . 35 LEU CA C 57.9300 . . 322 . 35 LEU HB3 H 1.6000 . . 323 . 35 LEU HB2 H 2.0520 . . 324 . 35 LEU CB C 40.7900 . . 325 . 35 LEU HG H 1.5500 . . 326 . 35 LEU CG C 27.5800 . . 327 . 35 LEU HD1 H 1.0300 . . 328 . 35 LEU CD1 C 26.8000 . . 329 . 35 LEU HD2 H 1.2500 . . 330 . 35 LEU CD2 C 24.5000 . . 331 . 36 GLU H H 8.5200 . . 332 . 36 GLU N N 119.4000 . . 333 . 36 GLU HA H 3.6500 . . 334 . 36 GLU CA C 60.4100 . . 335 . 36 GLU HB3 H 1.8800 . . 336 . 36 GLU HB2 H 2.1100 . . 337 . 36 GLU CB C 30.0000 . . 338 . 36 GLU HG3 H 1.9400 . . 339 . 36 GLU HG2 H 2.2300 . . 340 . 36 GLU CG C 37.7500 . . 341 . 37 LEU H H 7.2600 . . 342 . 37 LEU N N 118.2100 . . 343 . 37 LEU HA H 4.0100 . . 344 . 37 LEU CA C 58.0800 . . 345 . 37 LEU HB3 H 1.6100 . . 346 . 37 LEU HB2 H 1.8100 . . 347 . 37 LEU CB C 41.8500 . . 348 . 37 LEU HG H 1.7800 . . 349 . 37 LEU CG C 27.0500 . . 350 . 37 LEU HD1 H 0.9000 . . 351 . 37 LEU CD1 C 23.4900 . . 352 . 37 LEU HD2 H 0.9500 . . 353 . 37 LEU CD2 C 25.0400 . . 354 . 38 ALA H H 7.9100 . . 355 . 38 ALA N N 123.0500 . . 356 . 38 ALA HA H 3.9500 . . 357 . 38 ALA CA C 54.6300 . . 358 . 38 ALA HB H 0.8700 . . 359 . 38 ALA CB C 18.9400 . . 360 . 39 ALA H H 9.4500 . . 361 . 39 ALA N N 120.4400 . . 362 . 39 ALA HA H 3.8700 . . 363 . 39 ALA CA C 55.3500 . . 364 . 39 ALA HB H 1.6800 . . 365 . 39 ALA CB C 19.0200 . . 366 . 40 ARG H H 7.5200 . . 367 . 40 ARG N N 117.8100 . . 368 . 40 ARG HA H 4.0700 . . 369 . 40 ARG CA C 58.9200 . . 370 . 40 ARG HB3 H 1.9200 . . 371 . 40 ARG CB C 29.9500 . . 372 . 40 ARG HG3 H 1.8200 . . 373 . 40 ARG CG C 27.4700 . . 374 . 40 ARG HD3 H 3.2000 . . 375 . 40 ARG CD C 43.6200 . . 376 . 41 GLU H H 7.2800 . . 377 . 41 GLU N N 117.8600 . . 378 . 41 GLU HA H 3.8800 . . 379 . 41 GLU CA C 58.5600 . . 380 . 41 GLU HB3 H 1.5700 . . 381 . 41 GLU HB2 H 1.7700 . . 382 . 41 GLU CB C 29.6800 . . 383 . 41 GLU HG3 H 1.7700 . . 384 . 41 GLU HG2 H 2.0500 . . 385 . 41 GLU CG C 35.5800 . . 386 . 42 HIS H H 7.4300 . . 387 . 42 HIS N N 111.4700 . . 388 . 42 HIS HA H 4.2200 . . 389 . 42 HIS CA C 56.1000 . . 390 . 42 HIS HB3 H 2.2700 . . 391 . 42 HIS HB2 H 0.7500 . . 392 . 42 HIS CB C 28.1800 . . 393 . 42 HIS HD2 H 6.4000 . . 394 . 42 HIS CD2 C 120.8000 . . 395 . 43 GLY H H 7.7000 . . 396 . 43 GLY N N 109.7700 . . 397 . 43 GLY CA C 46.6400 . . 398 . 43 GLY HA3 H 3.9000 . . 399 . 43 GLY HA2 H 4.0200 . . 400 . 44 TRP H H 7.8100 . . 401 . 44 TRP N N 118.2200 . . 402 . 44 TRP HA H 5.2100 . . 403 . 44 TRP CA C 54.3100 . . 404 . 44 TRP HB3 H 3.0500 . . 405 . 44 TRP CB C 31.2500 . . 406 . 44 TRP HD1 H 7.2200 . . 407 . 44 TRP CD1 C 124.5000 . . 408 . 44 TRP HE1 H 10.6000 . . 409 . 44 TRP NE1 N 131.4900 . . 410 . 44 TRP HZ2 H 6.9500 . . 411 . 44 TRP CZ2 C 114.6400 . . 412 . 44 TRP HH2 H 6.6700 . . 413 . 44 TRP CH2 C 123.9400 . . 414 . 44 TRP HZ3 H 6.1500 . . 415 . 44 TRP CZ3 C 121.5700 . . 416 . 44 TRP HE3 H 6.8300 . . 417 . 44 TRP CE3 C 117.7300 . . 418 . 45 SER H H 9.3300 . . 419 . 45 SER N N 119.4400 . . 420 . 45 SER HA H 4.6700 . . 421 . 45 SER CA C 58.1800 . . 422 . 45 SER HB3 H 3.8000 . . 423 . 45 SER CB C 63.5100 . . 424 . 46 ILE H H 8.2000 . . 425 . 46 ILE N N 117.8900 . . 426 . 46 ILE HA H 4.6900 . . 427 . 46 ILE CA C 57.8800 . . 428 . 46 ILE HB H 1.6100 . . 429 . 46 ILE CB C 40.2700 . . 430 . 46 ILE HG2 H 0.9300 . . 431 . 46 ILE CG2 C 19.6600 . . 432 . 46 ILE HG13 H 1.0400 . . 433 . 46 ILE HG12 H 1.5000 . . 434 . 46 ILE CG1 C 24.5600 . . 435 . 46 ILE HD1 H 0.6500 . . 436 . 46 ILE CD1 C 14.2100 . . 437 . 47 PRO HA H 4.7600 . . 438 . 47 PRO CA C 61.2600 . . 439 . 47 PRO HB3 H 1.8600 . . 440 . 47 PRO CB C 32.4700 . . 441 . 48 SER H H 8.6300 . . 442 . 48 SER N N 114.8100 . . 443 . 48 SER HA H 4.3600 . . 444 . 48 SER CA C 58.0400 . . 445 . 48 SER HB3 H 4.0900 . . 446 . 48 SER HB2 H 4.2800 . . 447 . 48 SER CB C 65.0400 . . 448 . 49 ARG H H 8.7500 . . 449 . 49 ARG N N 122.8700 . . 450 . 49 ARG HA H 3.0900 . . 451 . 49 ARG CA C 60.7600 . . 452 . 49 ARG HB3 H 1.1990 . . 453 . 49 ARG HB2 H 1.5410 . . 454 . 49 ARG CB C 30.1700 . . 455 . 49 ARG HG3 H 1.1500 . . 456 . 49 ARG CG C 27.5300 . . 457 . 49 ARG HD3 H 3.1000 . . 458 . 49 ARG CD C 43.5000 . . 459 . 50 ALA H H 8.3100 . . 460 . 50 ALA N N 119.5000 . . 461 . 50 ALA HA H 4.0800 . . 462 . 50 ALA CA C 55.3300 . . 463 . 50 ALA HB H 1.3900 . . 464 . 50 ALA CB C 18.6300 . . 465 . 51 THR H H 7.7100 . . 466 . 51 THR N N 116.9900 . . 467 . 51 THR HA H 3.8800 . . 468 . 51 THR CA C 66.6300 . . 469 . 51 THR HB H 4.1300 . . 470 . 51 THR CB C 68.4300 . . 471 . 51 THR HG2 H 1.2300 . . 472 . 51 THR CG2 C 22.3800 . . 473 . 52 ALA H H 8.8100 . . 474 . 52 ALA N N 123.6600 . . 475 . 52 ALA HA H 4.1900 . . 476 . 52 ALA CA C 55.8700 . . 477 . 52 ALA HB H 1.7600 . . 478 . 52 ALA CB C 18.4900 . . 479 . 53 PHE H H 8.6900 . . 480 . 53 PHE N N 117.5900 . . 481 . 53 PHE HA H 3.4200 . . 482 . 53 PHE CA C 60.6700 . . 483 . 53 PHE HB3 H 2.6500 . . 484 . 53 PHE HB2 H 2.7500 . . 485 . 53 PHE CB C 38.3700 . . 486 . 53 PHE HD1 H 6.2500 . . 487 . 53 PHE CD1 C 131.4000 . . 488 . 53 PHE HE1 H 7.1200 . . 489 . 53 PHE CE1 C 131.0000 . . 490 . 53 PHE HZ H 7.1800 . . 491 . 53 PHE CZ C 131.0000 . . 492 . 54 ARG H H 7.7200 . . 493 . 54 ARG N N 117.9800 . . 494 . 54 ARG HA H 3.8900 . . 495 . 54 ARG CA C 59.2900 . . 496 . 54 ARG HB3 H 1.9100 . . 497 . 54 ARG CB C 29.7900 . . 498 . 54 ARG HG3 H 1.6500 . . 499 . 54 ARG HG2 H 1.8500 . . 500 . 54 ARG CG C 27.7500 . . 501 . 54 ARG HD3 H 3.2200 . . 502 . 54 ARG CD C 43.4500 . . 503 . 55 ARG H H 7.5600 . . 504 . 55 ARG N N 117.2200 . . 505 . 55 ARG HA H 4.0100 . . 506 . 55 ARG CA C 58.8600 . . 507 . 55 ARG HB3 H 1.8900 . . 508 . 55 ARG CB C 29.8200 . . 509 . 55 ARG HG3 H 1.4200 . . 510 . 55 ARG CG C 27.1500 . . 511 . 56 ILE H H 7.8600 . . 512 . 56 ILE N N 121.2200 . . 513 . 56 ILE HA H 3.9100 . . 514 . 56 ILE CA C 62.8100 . . 515 . 56 ILE HB H 1.9000 . . 516 . 56 ILE CB C 36.2600 . . 517 . 56 ILE HG2 H 0.5300 . . 518 . 56 ILE CG2 C 17.6400 . . 519 . 56 ILE HG13 H 1.4600 . . 520 . 56 ILE CG1 C 29.1500 . . 521 . 56 ILE HD1 H 0.5400 . . 522 . 56 ILE CD1 C 11.5100 . . 523 . 57 GLN H H 7.9300 . . 524 . 57 GLN N N 118.5100 . . 525 . 57 GLN HA H 3.9000 . . 526 . 57 GLN CA C 58.1700 . . 527 . 57 GLN HB3 H 1.8900 . . 528 . 57 GLN CB C 29.0100 . . 529 . 57 GLN HG3 H 1.7500 . . 530 . 57 GLN CG C 34.4800 . . 531 . 57 GLN HE21 H 6.6500 . . 532 . 57 GLN HE22 H 6.7200 . . 533 . 57 GLN NE2 N 112.4500 . . 534 . 58 GLN H H 7.3700 . . 535 . 58 GLN N N 115.5100 . . 536 . 58 GLN HA H 4.2100 . . 537 . 58 GLN CA C 56.5600 . . 538 . 58 GLN HB3 H 2.1800 . . 539 . 58 GLN CB C 28.9600 . . 540 . 58 GLN HG3 H 2.3500 . . 541 . 58 GLN HG2 H 2.5500 . . 542 . 58 GLN CG C 34.4200 . . 543 . 58 GLN HE21 H 6.7200 . . 544 . 58 GLN HE22 H 7.3600 . . 545 . 58 GLN NE2 N 111.2000 . . 546 . 59 LEU H H 7.4400 . . 547 . 59 LEU N N 120.7800 . . 548 . 59 LEU HA H 4.2100 . . 549 . 59 LEU CA C 56.0600 . . 550 . 59 LEU HB3 H 1.5700 . . 551 . 59 LEU HB2 H 1.9000 . . 552 . 59 LEU CB C 42.8700 . . 553 . 59 LEU HG H 2.0300 . . 554 . 59 LEU CG C 27.1500 . . 555 . 59 LEU HD1 H 1.0180 . . 556 . 59 LEU CD1 C 23.8200 . . 557 . 59 LEU HD2 H 1.0600 . . 558 . 59 LEU CD2 C 25.9600 . . 559 . 60 ASP H H 8.3500 . . 560 . 60 ASP N N 120.8200 . . 561 . 60 ASP HA H 4.4300 . . 562 . 60 ASP CA C 55.5900 . . 563 . 60 ASP HB3 H 2.7300 . . 564 . 60 ASP CB C 41.7300 . . 565 . 61 GLU H H 8.5800 . . 566 . 61 GLU N N 124.6000 . . 567 . 61 GLU HA H 3.9900 . . 568 . 61 GLU CA C 59.3600 . . 569 . 61 GLU HB3 H 2.0400 . . 570 . 61 GLU HB2 H 2.1000 . . 571 . 61 GLU CB C 29.9100 . . 572 . 61 GLU HG3 H 2.3000 . . 573 . 61 GLU HG2 H 2.3700 . . 574 . 61 GLU CG C 36.3600 . . 575 . 62 ALA H H 8.1400 . . 576 . 62 ALA N N 120.1600 . . 577 . 62 ALA HA H 4.1400 . . 578 . 62 ALA CA C 54.4900 . . 579 . 62 ALA HB H 1.4700 . . 580 . 62 ALA CB C 18.4600 . . 581 . 63 MET H H 7.8200 . . 582 . 63 MET N N 118.2000 . . 583 . 63 MET HA H 4.1600 . . 584 . 63 MET CA C 57.6200 . . 585 . 63 MET HB3 H 2.1300 . . 586 . 63 MET CB C 32.3400 . . 587 . 63 MET CE C 17.2000 . . 588 . 63 MET HE H 2.0800 . . 589 . 64 VAL H H 7.8600 . . 590 . 64 VAL N N 120.2300 . . 591 . 64 VAL HA H 3.6200 . . 592 . 64 VAL CA C 66.0300 . . 593 . 64 VAL HB H 2.1700 . . 594 . 64 VAL CB C 32.1400 . . 595 . 64 VAL HG1 H 0.9300 . . 596 . 64 VAL CG1 C 21.5300 . . 597 . 64 VAL HG2 H 1.0500 . . 598 . 64 VAL CG2 C 22.8400 . . 599 . 65 VAL H H 8.1100 . . 600 . 65 VAL N N 119.2700 . . 601 . 65 VAL HA H 3.7700 . . 602 . 65 VAL CA C 65.2600 . . 603 . 65 VAL HB H 2.0500 . . 604 . 65 VAL CB C 32.2000 . . 605 . 65 VAL HG1 H 0.9100 . . 606 . 65 VAL CG1 C 21.3400 . . 607 . 65 VAL HG2 H 1.0300 . . 608 . 65 VAL CG2 C 22.3200 . . 609 . 66 ALA H H 7.8900 . . 610 . 66 ALA N N 122.2000 . . 611 . 66 ALA HA H 4.1700 . . 612 . 66 ALA CA C 54.4100 . . 613 . 66 ALA HB H 1.4200 . . 614 . 66 ALA CB C 18.9000 . . 615 . 67 CYS H H 7.9900 . . 616 . 67 CYS N N 114.7300 . . 617 . 67 CYS HA H 4.3000 . . 618 . 67 CYS CA C 61.1500 . . 619 . 67 CYS HB3 H 2.7800 . . 620 . 67 CYS HB2 H 2.8600 . . 621 . 67 CYS CB C 28.5000 . . 622 . 68 ARG H H 8.0000 . . 623 . 68 ARG N N 118.9700 . . 624 . 68 ARG HA H 4.2000 . . 625 . 68 ARG CA C 56.9100 . . 626 . 68 ARG HB3 H 1.6900 . . 627 . 68 ARG HB2 H 1.8700 . . 628 . 68 ARG CB C 31.3300 . . 629 . 68 ARG HG3 H 1.6200 . . 630 . 68 ARG CG C 49.3900 . . 631 . 69 GLU H H 8.1600 . . 632 . 69 GLU N N 117.9200 . . 633 . 69 GLU HA H 4.3200 . . 634 . 69 GLU CA C 56.8500 . . 635 . 69 GLU HB3 H 2.0000 . . 636 . 69 GLU HB2 H 2.1200 . . 637 . 69 GLU CB C 30.1800 . . 638 . 69 GLU HG3 H 2.3000 . . 639 . 69 GLU CG C 36.2500 . . 640 . 70 GLY H H 8.0800 . . 641 . 70 GLY N N 107.9800 . . 642 . 70 GLY CA C 45.4300 . . 643 . 70 GLY HA3 H 3.9100 . . 644 . 70 GLY HA2 H 4.0300 . . 645 . 71 GLU H H 8.2200 . . 646 . 71 GLU N N 119.7500 . . 647 . 71 GLU HA H 4.2100 . . 648 . 71 GLU CA C 56.8500 . . 649 . 71 GLU HB3 H 1.8900 . . 650 . 71 GLU HB2 H 1.9900 . . 651 . 71 GLU CB C 30.4100 . . 652 . 71 GLU HG3 H 2.1900 . . 653 . 71 GLU CG C 36.3100 . . 654 . 72 HIS H H 8.3800 . . 655 . 72 HIS N N 119.1000 . . 656 . 72 HIS HA H 4.6600 . . 657 . 72 HIS CA C 55.5900 . . 658 . 72 HIS HB3 H 3.1000 . . 659 . 72 HIS HB2 H 3.2100 . . 660 . 72 HIS CB C 29.8700 . . 661 . 73 ALA H H 8.2100 . . 662 . 73 ALA N N 124.4000 . . 663 . 73 ALA HA H 4.3100 . . 664 . 73 ALA CA C 52.7100 . . 665 . 73 ALA HB H 1.3700 . . 666 . 73 ALA CB C 19.6100 . . 667 . 74 LEU H H 8.2400 . . 668 . 74 LEU N N 121.3800 . . 669 . 74 LEU HA H 4.3300 . . 670 . 74 LEU CA C 55.3700 . . 671 . 74 LEU HB3 H 1.6200 . . 672 . 74 LEU CB C 42.3500 . . 673 . 74 LEU HG H 1.6400 . . 674 . 74 LEU CG C 27.1100 . . 675 . 74 LEU HD1 H 0.8700 . . 676 . 74 LEU CD1 C 23.5700 . . 677 . 74 LEU HD2 H 0.9200 . . 678 . 74 LEU CD2 C 25.0500 . . 679 . 75 MET H H 7.7700 . . 680 . 75 MET N N 125.3200 . . 681 . 75 MET HA H 4.2500 . . 682 . 75 MET CA C 57.0800 . . 683 . 75 MET HB3 H 1.9000 . . 684 . 75 MET HB2 H 2.0600 . . 685 . 75 MET CB C 34.0900 . . 686 . 75 MET HG3 H 2.4800 . . 687 . 75 MET CG C 32.2100 . . stop_ save_