data_5826 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Nickel-binding property of Bacillus pasteurii UreE and the role of the C-terminal tail ; _BMRB_accession_number 5826 _BMRB_flat_file_name bmr5826.str _Entry_type original _Submission_date 2003-06-09 _Accession_date 2003-06-09 _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 Lee Yeon-Hee . . 2 Won Hyung-Sik . . 3 Lee Bong-Jin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 125 "13C chemical shifts" 378 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-04-06 original author . stop_ _Original_release_date 2004-04-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural characterization of the nickel-binding properties of bacillus pasteurii UreE in solution ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14769802 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Won Hyung-Sik . . 2 Lee Yeon-Hee . . 3 Kim J. H. . 4 Shin I. S. . 5 Lee M. H. . 6 Lee Bong-Jin . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_BpUreE _Saveframe_category molecular_system _Mol_system_name BpUreE _Abbreviation_common BpUreE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BpUreE subunit 1' $BpUreE 'BpUreE subunit 2' $BpUreE 'BpUreE subunit 3' $BpUreE 'BpUreE subunit 4' $BpUreE stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state tetramer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'BpUreE subunit 1' 1 'BpUreE subunit 2' 1 'BpUreE subunit 3' 1 'BpUreE subunit 4' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BpUreE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Bacillus pasteurii UreE' _Abbreviation_common BpUreE _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; MLITKIVGHIDDYESSDKKV DWLEVEWEDLNKRILRKETE NGTDIAIKLENSGTLRYGDV LYESDDTLIAIRTKLEKVYV IKPQTMQEMGKMAFEIGNRH TMCIIEDDEILVRYDKTLEK LIDEVGVSYEQSERRFKEPF KYRGHQH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 ILE 4 THR 5 LYS 6 ILE 7 VAL 8 GLY 9 HIS 10 ILE 11 ASP 12 ASP 13 TYR 14 GLU 15 SER 16 SER 17 ASP 18 LYS 19 LYS 20 VAL 21 ASP 22 TRP 23 LEU 24 GLU 25 VAL 26 GLU 27 TRP 28 GLU 29 ASP 30 LEU 31 ASN 32 LYS 33 ARG 34 ILE 35 LEU 36 ARG 37 LYS 38 GLU 39 THR 40 GLU 41 ASN 42 GLY 43 THR 44 ASP 45 ILE 46 ALA 47 ILE 48 LYS 49 LEU 50 GLU 51 ASN 52 SER 53 GLY 54 THR 55 LEU 56 ARG 57 TYR 58 GLY 59 ASP 60 VAL 61 LEU 62 TYR 63 GLU 64 SER 65 ASP 66 ASP 67 THR 68 LEU 69 ILE 70 ALA 71 ILE 72 ARG 73 THR 74 LYS 75 LEU 76 GLU 77 LYS 78 VAL 79 TYR 80 VAL 81 ILE 82 LYS 83 PRO 84 GLN 85 THR 86 MET 87 GLN 88 GLU 89 MET 90 GLY 91 LYS 92 MET 93 ALA 94 PHE 95 GLU 96 ILE 97 GLY 98 ASN 99 ARG 100 HIS 101 THR 102 MET 103 CYS 104 ILE 105 ILE 106 GLU 107 ASP 108 ASP 109 GLU 110 ILE 111 LEU 112 VAL 113 ARG 114 TYR 115 ASP 116 LYS 117 THR 118 LEU 119 GLU 120 LYS 121 LEU 122 ILE 123 ASP 124 GLU 125 VAL 126 GLY 127 VAL 128 SER 129 TYR 130 GLU 131 GLN 132 SER 133 GLU 134 ARG 135 ARG 136 PHE 137 LYS 138 GLU 139 PRO 140 PHE 141 LYS 142 TYR 143 ARG 144 GLY 145 HIS 146 GLN 147 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 5484 BpUreE 100.00 147 100.00 100.00 4.39e-101 PDB 4L3K "Crystal Structure Of Sporosarcina Pasteurii Uree Bound To Ni2+ And Zn2+" 100.00 147 100.00 100.00 4.39e-101 GB AAA73987 "urease E [Sporosarcina pasteurii]" 100.00 170 99.32 100.00 3.31e-100 GB AAD55059 "urease accessory protein UreE [Sporosarcina pasteurii]" 100.00 147 100.00 100.00 4.39e-101 SP P50049 "RecName: Full=Urease accessory protein UreE [Sporosarcina pasteurii]" 100.00 147 100.00 100.00 4.39e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BpUreE 'Bacillus pasteurii' 1474 Eubacteria . Bacillus pasteurii 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 $BpUreE 'recombinant technology' . . . . . 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 $BpUreE 5.6 mM '[U-90% 2H; U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.01 n/a temperature 308 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 _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'BpUreE subunit 1' _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 C C 171.068 . . 2 . 1 MET CA C 55.693 . . 3 . 1 MET CB C 33.529 . . 4 . 2 LEU C C 175.861 . . 5 . 2 LEU CA C 54.758 . . 6 . 2 LEU CB C 43.349 . . 7 . 2 LEU H H 8.579 . . 8 . 2 LEU N N 127.94 . . 9 . 3 ILE C C 175.981 . . 10 . 3 ILE CA C 58.404 . . 11 . 3 ILE CB C 38.859 . . 12 . 3 ILE H H 9.446 . . 13 . 3 ILE N N 128.94 . . 14 . 4 THR C C 174.747 . . 15 . 4 THR CA C 61.044 . . 16 . 4 THR CB C 71.117 . . 17 . 4 THR H H 8.93 . . 18 . 4 THR N N 115.011 . . 19 . 5 LYS C C 174.9 . . 20 . 5 LYS CA C 55.621 . . 21 . 5 LYS CB C 35.888 . . 22 . 5 LYS H H 7.44 . . 23 . 5 LYS N N 119.835 . . 24 . 6 ILE C C 177.81 . . 25 . 6 ILE CA C 61.146 . . 26 . 6 ILE CB C 38.559 . . 27 . 6 ILE H H 8.427 . . 28 . 6 ILE N N 121.04 . . 29 . 7 VAL C C 176.6 . . 30 . 7 VAL CA C 63.152 . . 31 . 7 VAL CB C 33.011 . . 32 . 7 VAL H H 8.263 . . 33 . 7 VAL N N 120.336 . . 34 . 8 GLY C C 171.429 . . 35 . 8 GLY CA C 45.777 . . 36 . 8 GLY H H 7.467 . . 37 . 8 GLY N N 106.59 . . 38 . 9 HIS C C 176.415 . . 39 . 9 HIS CA C 56.823 . . 40 . 9 HIS CB C 32.839 . . 41 . 9 HIS H H 8.968 . . 42 . 9 HIS N N 122.5 . . 43 . 10 ILE CA C 54.393 . . 44 . 10 ILE CB C 33.552 . . 45 . 10 ILE H H 8.569 . . 46 . 10 ILE N N 126.44 . . 47 . 11 ASP C C 178.077 . . 48 . 11 ASP CA C 56.695 . . 49 . 12 ASP C C 177.1 . . 50 . 12 ASP CA C 55.605 . . 51 . 12 ASP CB C 40.741 . . 52 . 12 ASP H H 8.317 . . 53 . 12 ASP N N 118.154 . . 54 . 13 TYR C C 176.89 . . 55 . 13 TYR CA C 58.264 . . 56 . 13 TYR CB C 37.939 . . 57 . 13 TYR H H 7.902 . . 58 . 13 TYR N N 118.98 . . 59 . 14 GLU C C 177.7 . . 60 . 14 GLU CA C 58.421 . . 61 . 14 GLU CB C 29.812 . . 62 . 14 GLU H H 7.807 . . 63 . 14 GLU N N 122.371 . . 64 . 15 SER C C 174.99 . . 65 . 15 SER CA C 58.465 . . 66 . 15 SER CB C 63.839 . . 67 . 15 SER H H 8.331 . . 68 . 15 SER N N 114.339 . . 69 . 16 SER C C 175.3 . . 70 . 16 SER CA C 58.695 . . 71 . 16 SER CB C 64.829 . . 72 . 16 SER H H 7.871 . . 73 . 16 SER N N 116.424 . . 74 . 17 ASP C C 176.68 . . 75 . 17 ASP CA C 54.495 . . 76 . 17 ASP CB C 41.586 . . 77 . 17 ASP H H 8.441 . . 78 . 17 ASP N N 123.4 . . 79 . 18 LYS C C 176.2 . . 80 . 18 LYS CA C 56.915 . . 81 . 18 LYS CB C 33.899 . . 82 . 18 LYS H H 7.766 . . 83 . 18 LYS N N 119.671 . . 84 . 19 LYS C C 175.7 . . 85 . 19 LYS CA C 56.391 . . 86 . 19 LYS CB C 33.299 . . 87 . 19 LYS H H 7.875 . . 88 . 19 LYS N N 122.486 . . 89 . 20 VAL C C 175.552 . . 90 . 20 VAL CA C 62.008 . . 91 . 20 VAL CB C 33.08 . . 92 . 20 VAL H H 8.089 . . 93 . 20 VAL N N 123.366 . . 94 . 21 ASP C C 175.2 . . 95 . 21 ASP CA C 52.063 . . 96 . 21 ASP CB C 41.939 . . 97 . 21 ASP H H 8.888 . . 98 . 21 ASP N N 130.104 . . 99 . 22 TRP C C 176.116 . . 100 . 22 TRP CA C 57.522 . . 101 . 22 TRP CB C 31.239 . . 102 . 22 TRP H H 7.852 . . 103 . 22 TRP N N 122.623 . . 104 . 23 LEU C C 175 . . 105 . 23 LEU CA C 53.778 . . 106 . 23 LEU CB C 43.434 . . 107 . 23 LEU H H 9.358 . . 108 . 23 LEU N N 124.94 . . 109 . 24 GLU C C 176.7 . . 110 . 24 GLU CA C 55.501 . . 111 . 24 GLU CB C 30.852 . . 112 . 24 GLU H H 9.042 . . 113 . 24 GLU N N 126.24 . . 114 . 25 VAL C C 175.97 . . 115 . 25 VAL CA C 58.797 . . 116 . 25 VAL CB C 33.832 . . 117 . 25 VAL H H 8.415 . . 118 . 25 VAL N N 116.848 . . 119 . 26 GLU C C 179.507 . . 120 . 26 GLU CA C 55.391 . . 121 . 26 GLU CB C 30.008 . . 122 . 26 GLU H H 8.83 . . 123 . 26 GLU N N 118.622 . . 124 . 27 TRP C C 180.1 . . 125 . 27 TRP CA C 59.795 . . 126 . 27 TRP H H 9.899 . . 127 . 27 TRP N N 125.24 . . 128 . 28 GLU C C 178.463 . . 129 . 28 GLU CA C 60.033 . . 130 . 28 GLU CB C 29.412 . . 131 . 28 GLU H H 9.856 . . 132 . 28 GLU N N 115.9 . . 133 . 29 ASP C C 177.999 . . 134 . 29 ASP CA C 56.422 . . 135 . 29 ASP CB C 41.139 . . 136 . 29 ASP H H 7.884 . . 137 . 29 ASP N N 118.084 . . 138 . 30 LEU C C 177.7 . . 139 . 30 LEU CA C 56.538 . . 140 . 30 LEU CB C 41.234 . . 141 . 30 LEU H H 7.379 . . 142 . 30 LEU N N 115.152 . . 143 . 31 ASN C C 175.85 . . 144 . 31 ASN CA C 53.445 . . 145 . 31 ASN CB C 39.939 . . 146 . 31 ASN H H 7.735 . . 147 . 31 ASN N N 113.632 . . 148 . 32 LYS C C 176.18 . . 149 . 32 LYS CA C 57.021 . . 150 . 32 LYS CB C 35.184 . . 151 . 32 LYS H H 7.47 . . 152 . 32 LYS N N 119.234 . . 153 . 33 ARG C C 175.2 . . 154 . 33 ARG CA C 56.921 . . 155 . 33 ARG CB C 32.085 . . 156 . 33 ARG H H 8.48 . . 157 . 33 ARG N N 116.564 . . 158 . 34 ILE C C 175.8 . . 159 . 34 ILE CA C 59.787 . . 160 . 34 ILE CB C 41.252 . . 161 . 34 ILE H H 7.082 . . 162 . 34 ILE N N 117.63 . . 163 . 35 LEU C C 174.8 . . 164 . 35 LEU CA C 55.225 . . 165 . 35 LEU CB C 46.734 . . 166 . 35 LEU H H 8.327 . . 167 . 35 LEU N N 125.6 . . 168 . 36 ARG C C 175.4 . . 169 . 36 ARG CA C 55.421 . . 170 . 36 ARG CB C 32.199 . . 171 . 36 ARG H H 8.406 . . 172 . 36 ARG N N 125.1 . . 173 . 37 LYS C C 173.66 . . 174 . 37 LYS CA C 55.521 . . 175 . 37 LYS CB C 37.499 . . 176 . 37 LYS H H 8.873 . . 177 . 37 LYS N N 126.704 . . 178 . 38 GLU C C 178.7 . . 179 . 38 GLU CA C 55.061 . . 180 . 38 GLU CB C 32.112 . . 181 . 38 GLU H H 7.892 . . 182 . 38 GLU N N 119.383 . . 183 . 39 THR C C 177.4 . . 184 . 39 THR CA C 61.767 . . 185 . 39 THR CB C 70.529 . . 186 . 39 THR H H 8.921 . . 187 . 39 THR N N 113.78 . . 188 . 40 GLU C C 178.9 . . 189 . 40 GLU CA C 59.715 . . 190 . 40 GLU CB C 29.582 . . 191 . 40 GLU H H 9.147 . . 192 . 40 GLU N N 121.686 . . 193 . 41 ASN C C 176.5 . . 194 . 41 ASN CA C 53.395 . . 195 . 41 ASN CB C 38.199 . . 196 . 41 ASN H H 9.044 . . 197 . 41 ASN N N 115.63 . . 198 . 42 GLY C C 174.7 . . 199 . 42 GLY CA C 45.795 . . 200 . 42 GLY H H 8.068 . . 201 . 42 GLY N N 108.95 . . 202 . 43 THR C C 174.1 . . 203 . 43 THR CA C 63.357 . . 204 . 43 THR CB C 68.859 . . 205 . 43 THR H H 8.338 . . 206 . 43 THR N N 120.76 . . 207 . 44 ASP C C 174.5 . . 208 . 44 ASP CA C 55.195 . . 209 . 44 ASP CB C 41.839 . . 210 . 44 ASP H H 8.654 . . 211 . 44 ASP N N 128.7 . . 212 . 45 ILE C C 173.5 . . 213 . 45 ILE CA C 58.493 . . 214 . 45 ILE CB C 38.652 . . 215 . 45 ILE H H 8.356 . . 216 . 45 ILE N N 127.73 . . 217 . 46 ALA C C 175.64 . . 218 . 46 ALA CA C 50.402 . . 219 . 46 ALA CB C 20.45 . . 220 . 46 ALA H H 8.348 . . 221 . 46 ALA N N 129.6 . . 222 . 47 ILE C C 176.28 . . 223 . 47 ILE CA C 60.833 . . 224 . 47 ILE CB C 40.552 . . 225 . 47 ILE H H 9.158 . . 226 . 47 ILE N N 123.03 . . 227 . 48 LYS C C 175.46 . . 228 . 48 LYS CA C 55.221 . . 229 . 48 LYS CB C 33.999 . . 230 . 48 LYS H H 8.455 . . 231 . 48 LYS N N 129.06 . . 232 . 49 LEU C C 178.7 . . 233 . 49 LEU CA C 55.258 . . 234 . 49 LEU CB C 42.434 . . 235 . 49 LEU H H 8.542 . . 236 . 49 LEU N N 123.4 . . 237 . 50 GLU C C 176.7 . . 238 . 50 GLU CA C 57.021 . . 239 . 50 GLU CB C 30.712 . . 240 . 50 GLU H H 8.507 . . 241 . 50 GLU N N 120.9 . . 242 . 51 ASN C C 176.7 . . 243 . 51 ASN CA C 53.695 . . 244 . 51 ASN CB C 39.639 . . 245 . 51 ASN H H 8.457 . . 246 . 51 ASN N N 117.2 . . 247 . 52 SER C C 175.525 . . 248 . 52 SER CA C 58.295 . . 249 . 52 SER CB C 65.339 . . 250 . 52 SER H H 8.308 . . 251 . 52 SER N N 120.2 . . 252 . 53 GLY C C 173.46 . . 253 . 53 GLY CA C 45.572 . . 254 . 53 GLY H H 8.226 . . 255 . 53 GLY N N 110.94 . . 256 . 54 THR C C 174.5 . . 257 . 54 THR CA C 60.674 . . 258 . 54 THR CB C 71.577 . . 259 . 54 THR H H 7.675 . . 260 . 54 THR N N 110.65 . . 261 . 55 LEU C C 176.2 . . 262 . 55 LEU CA C 55.658 . . 263 . 55 LEU CB C 44.414 . . 264 . 55 LEU H H 8.127 . . 265 . 55 LEU N N 122 . . 266 . 56 ARG C C 175.5 . . 267 . 56 ARG CA C 54.421 . . 268 . 56 ARG CB C 33.199 . . 269 . 56 ARG H H 8.83 . . 270 . 56 ARG N N 121 . . 271 . 57 TYR C C 177.9 . . 272 . 57 TYR CA C 60.795 . . 273 . 57 TYR CB C 39.339 . . 274 . 57 TYR H H 8.748 . . 275 . 57 TYR N N 121.08 . . 276 . 58 GLY C C 173.46 . . 277 . 58 GLY CA C 45.629 . . 278 . 58 GLY H H 8.938 . . 279 . 58 GLY N N 119.351 . . 280 . 59 ASP C C 176.06 . . 281 . 59 ASP CA C 56.695 . . 282 . 59 ASP CB C 41.619 . . 283 . 59 ASP H H 8.056 . . 284 . 59 ASP N N 122.07 . . 285 . 60 VAL C C 175.97 . . 286 . 60 VAL CA C 62.356 . . 287 . 60 VAL CB C 32.58 . . 288 . 60 VAL H H 8.545 . . 289 . 60 VAL N N 120.2 . . 290 . 61 LEU C C 175.3 . . 291 . 61 LEU CA C 54.958 . . 292 . 61 LEU CB C 43.334 . . 293 . 61 LEU H H 8.999 . . 294 . 61 LEU N N 125.325 . . 295 . 62 TYR C C 172.14 . . 296 . 62 TYR CA C 57.895 . . 297 . 62 TYR CB C 42.539 . . 298 . 62 TYR H H 7.263 . . 299 . 62 TYR N N 115.79 . . 300 . 63 GLU C C 173.9 . . 301 . 63 GLU CA C 55.021 . . 302 . 63 GLU CB C 32.112 . . 303 . 63 GLU H H 7.791 . . 304 . 63 GLU N N 127.67 . . 305 . 64 SER CA C 55.995 . . 306 . 64 SER CB C 66.239 . . 307 . 64 SER H H 8.759 . . 308 . 64 SER N N 122.15 . . 309 . 65 ASP C C 177.1 . . 310 . 65 ASP CA C 57.885 . . 311 . 65 ASP CB C 40.739 . . 312 . 66 ASP C C 176.5 . . 313 . 66 ASP CA C 53.815 . . 314 . 66 ASP CB C 43.539 . . 315 . 66 ASP H H 7.998 . . 316 . 66 ASP N N 113.41 . . 317 . 67 THR C C 171.95 . . 318 . 67 THR CA C 62.247 . . 319 . 67 THR CB C 72.729 . . 320 . 67 THR H H 7.44 . . 321 . 67 THR N N 116.05 . . 322 . 68 LEU C C 175.9 . . 323 . 68 LEU CA C 53.558 . . 324 . 68 LEU CB C 45.394 . . 325 . 68 LEU H H 8.576 . . 326 . 68 LEU N N 124.1 . . 327 . 69 ILE C C 175.3 . . 328 . 69 ILE CA C 60.993 . . 329 . 69 ILE CB C 39.952 . . 330 . 69 ILE H H 8.484 . . 331 . 69 ILE N N 121.16 . . 332 . 70 ALA C C 174.77 . . 333 . 70 ALA CA C 49.612 . . 334 . 70 ALA CB C 23.54 . . 335 . 70 ALA H H 7.409 . . 336 . 70 ALA N N 129.8 . . 337 . 71 ILE C C 175.5 . . 338 . 71 ILE CA C 59.363 . . 339 . 71 ILE CB C 41.622 . . 340 . 71 ILE H H 8.491 . . 341 . 71 ILE N N 118.58 . . 342 . 72 ARG C C 173.9 . . 343 . 72 ARG CA C 54.481 . . 344 . 72 ARG CB C 32.799 . . 345 . 72 ARG H H 8.869 . . 346 . 72 ARG N N 121.09 . . 347 . 73 THR C C 175.63 . . 348 . 73 THR CA C 59.167 . . 349 . 73 THR CB C 70.869 . . 350 . 73 THR H H 6.719 . . 351 . 73 THR N N 107.8 . . 352 . 74 LYS C C 175.3 . . 353 . 74 LYS CA C 56.221 . . 354 . 74 LYS CB C 33.999 . . 355 . 74 LYS H H 7.575 . . 356 . 74 LYS N N 117.95 . . 357 . 75 LEU C C 176.7 . . 358 . 75 LEU CA C 55.758 . . 359 . 75 LEU CB C 42.834 . . 360 . 75 LEU H H 8.229 . . 361 . 75 LEU N N 122.48 . . 362 . 76 GLU C C 175.2 . . 363 . 76 GLU CA C 55.181 . . 364 . 76 GLU CB C 33.812 . . 365 . 76 GLU H H 8.529 . . 366 . 76 GLU N N 125.45 . . 367 . 77 LYS C C 177.98 . . 368 . 77 LYS CA C 57.411 . . 369 . 77 LYS CB C 33.399 . . 370 . 77 LYS H H 8.431 . . 371 . 77 LYS N N 120.62 . . 372 . 78 VAL C C 177.6 . . 373 . 78 VAL CA C 59.896 . . 374 . 78 VAL CB C 36.04 . . 375 . 78 VAL H H 8.618 . . 376 . 78 VAL N N 118.2 . . 377 . 79 TYR C C 175.2 . . 378 . 79 TYR CA C 57.865 . . 379 . 79 TYR CB C 40.319 . . 380 . 79 TYR H H 8.734 . . 381 . 79 TYR N N 116.1 . . 382 . 80 VAL C C 176.27 . . 383 . 80 VAL CA C 61.736 . . 384 . 80 VAL CB C 32.24 . . 385 . 80 VAL H H 9.009 . . 386 . 80 VAL N N 121.5 . . 387 . 81 ILE C C 176.4 . . 388 . 81 ILE CA C 61.843 . . 389 . 81 ILE CB C 39.152 . . 390 . 81 ILE H H 9.511 . . 391 . 81 ILE N N 128.809 . . 392 . 82 LYS CA C 54.291 . . 393 . 82 LYS CB C 33.399 . . 394 . 82 LYS H H 8.521 . . 395 . 82 LYS N N 126.423 . . 396 . 83 PRO C C 176.88 . . 397 . 83 PRO CA C 62.781 . . 398 . 83 PRO CB C 32.899 . . 399 . 84 GLN C C 176.55 . . 400 . 84 GLN CA C 56.371 . . 401 . 84 GLN CB C 31.612 . . 402 . 84 GLN H H 9.498 . . 403 . 84 GLN N N 119.53 . . 404 . 85 THR C C 175.2 . . 405 . 85 THR CA C 58.457 . . 406 . 85 THR CB C 72.429 . . 407 . 85 THR H H 7.229 . . 408 . 85 THR N N 106.38 . . 409 . 86 MET C C 178.66 . . 410 . 86 MET CA C 58.901 . . 411 . 86 MET CB C 33.712 . . 412 . 86 MET H H 9.06 . . 413 . 86 MET N N 122.32 . . 414 . 87 GLN C C 178.46 . . 415 . 87 GLN CA C 59.621 . . 416 . 87 GLN CB C 29.112 . . 417 . 87 GLN H H 8.62 . . 418 . 87 GLN N N 119.94 . . 419 . 88 GLU C C 178.7 . . 420 . 88 GLU CA C 59.921 . . 421 . 88 GLU CB C 31.112 . . 422 . 88 GLU H H 7.857 . . 423 . 88 GLU N N 118.384 . . 424 . 89 MET C C 177.96 . . 425 . 89 MET CA C 58.521 . . 426 . 89 MET CB C 31.912 . . 427 . 89 MET H H 7.932 . . 428 . 89 MET N N 117.7 . . 429 . 90 GLY C C 175.5 . . 430 . 90 GLY CA C 47.982 . . 431 . 90 GLY H H 8.553 . . 432 . 90 GLY N N 105.211 . . 433 . 91 LYS C C 179.63 . . 434 . 91 LYS CA C 60.621 . . 435 . 91 LYS CB C 32.999 . . 436 . 91 LYS H H 8.739 . . 437 . 91 LYS N N 120.75 . . 438 . 92 MET C C 178.7 . . 439 . 92 MET CA C 57.391 . . 440 . 92 MET CB C 35.112 . . 441 . 92 MET H H 8.282 . . 442 . 92 MET N N 116.48 . . 443 . 93 ALA C C 180.3 . . 444 . 93 ALA CA C 56.812 . . 445 . 93 ALA CB C 20.4 . . 446 . 93 ALA H H 8.545 . . 447 . 93 ALA N N 120.75 . . 448 . 94 PHE C C 179.9 . . 449 . 94 PHE CA C 61.645 . . 450 . 94 PHE CB C 40.239 . . 451 . 94 PHE H H 8.683 . . 452 . 94 PHE N N 118.03 . . 453 . 95 GLU C C 180.63 . . 454 . 95 GLU CA C 58.421 . . 455 . 95 GLU CB C 28.912 . . 456 . 95 GLU H H 7.935 . . 457 . 95 GLU N N 117.9 . . 458 . 96 ILE CA C 65.743 . . 459 . 96 ILE CB C 38.852 . . 460 . 96 ILE H H 8.059 . . 461 . 96 ILE N N 119.43 . . 462 . 104 ILE C C 174.96 . . 463 . 104 ILE CA C 59.893 . . 464 . 104 ILE CB C 41.352 . . 465 . 104 ILE H H 8.501 . . 466 . 104 ILE N N 119 . . 467 . 105 ILE C C 175.7 . . 468 . 105 ILE CA C 60.853 . . 469 . 105 ILE CB C 38.552 . . 470 . 105 ILE H H 8.56 . . 471 . 105 ILE N N 127.3 . . 472 . 106 GLU CA C 55.291 . . 473 . 106 GLU CB C 31.712 . . 474 . 106 GLU H H 8.464 . . 475 . 106 GLU N N 128.6 . . 476 . 108 ASP C C 175.3 . . 477 . 108 ASP CA C 53.195 . . 478 . 109 GLU C C 174.9 . . 479 . 109 GLU CA C 54.779 . . 480 . 109 GLU CB C 33.412 . . 481 . 109 GLU H H 7.522 . . 482 . 109 GLU N N 115.938 . . 483 . 110 ILE C C 174.8 . . 484 . 110 ILE CA C 60.593 . . 485 . 110 ILE CB C 41.652 . . 486 . 110 ILE H H 8.603 . . 487 . 110 ILE N N 118.44 . . 488 . 111 LEU C C 176.87 . . 489 . 111 LEU CA C 53.988 . . 490 . 111 LEU CB C 45.034 . . 491 . 111 LEU H H 9.169 . . 492 . 111 LEU N N 127.465 . . 493 . 112 VAL C C 175.5 . . 494 . 112 VAL CA C 59.256 . . 495 . 112 VAL CB C 36.18 . . 496 . 112 VAL H H 8.266 . . 497 . 112 VAL N N 115.57 . . 498 . 113 ARG C C 176.9 . . 499 . 113 ARG CA C 59.121 . . 500 . 113 ARG CB C 30.399 . . 501 . 113 ARG H H 8.94 . . 502 . 113 ARG N N 123.1 . . 503 . 114 TYR C C 175.1 . . 504 . 114 TYR CA C 59.995 . . 505 . 114 TYR CB C 38.939 . . 506 . 114 TYR H H 7.867 . . 507 . 114 TYR N N 121.33 . . 508 . 115 ASP CB C 41.839 . . 509 . 115 ASP H H 5.857 . . 510 . 115 ASP N N 125.8 . . 511 . 116 LYS C C 179.4 . . 512 . 116 LYS CA C 58.921 . . 513 . 116 LYS CB C 32.599 . . 514 . 117 THR C C 177.1 . . 515 . 117 THR CA C 65.167 . . 516 . 117 THR CB C 69.559 . . 517 . 117 THR H H 8.374 . . 518 . 117 THR N N 111.73 . . 519 . 118 LEU C C 178.5 . . 520 . 118 LEU CA C 55.858 . . 521 . 118 LEU CB C 43.034 . . 522 . 118 LEU H H 7.932 . . 523 . 118 LEU N N 121.41 . . 524 . 119 GLU C C 177.76 . . 525 . 119 GLU CA C 60.921 . . 526 . 119 GLU CB C 29.282 . . 527 . 119 GLU H H 7.456 . . 528 . 119 GLU N N 118.99 . . 529 . 120 LYS C C 179.15 . . 530 . 120 LYS CA C 59.021 . . 531 . 120 LYS CB C 32.399 . . 532 . 120 LYS H H 7.489 . . 533 . 120 LYS N N 114.88 . . 534 . 121 LEU C C 178.5 . . 535 . 121 LEU CA C 57.418 . . 536 . 121 LEU CB C 42.434 . . 537 . 121 LEU H H 6.935 . . 538 . 121 LEU N N 119.93 . . 539 . 122 ILE C C 179.69 . . 540 . 122 ILE CA C 65.853 . . 541 . 122 ILE CB C 38.352 . . 542 . 122 ILE H H 7.785 . . 543 . 122 ILE N N 119 . . 544 . 123 ASP C C 179.2 . . 545 . 123 ASP CA C 57.095 . . 546 . 123 ASP CB C 40.739 . . 547 . 123 ASP H H 8.123 . . 548 . 123 ASP N N 118.46 . . 549 . 124 GLU C C 179.4 . . 550 . 124 GLU CA C 59.421 . . 551 . 124 GLU CB C 29.312 . . 552 . 124 GLU H H 7.774 . . 553 . 124 GLU N N 120.2 . . 554 . 125 VAL C C 178.1 . . 555 . 125 VAL CA C 65.426 . . 556 . 125 VAL CB C 31.68 . . 557 . 125 VAL H H 7.907 . . 558 . 125 VAL N N 119 . . 559 . 126 GLY C C 174.9 . . 560 . 126 GLY CA C 46.396 . . 561 . 126 GLY H H 8.178 . . 562 . 126 GLY N N 107.74 . . 563 . 127 VAL C C 175 . . 564 . 127 VAL CA C 60.226 . . 565 . 127 VAL CB C 33.95 . . 566 . 127 VAL H H 6.679 . . 567 . 127 VAL N N 115.9 . . 568 . 128 SER C C 173.6 . . 569 . 128 SER CA C 59.635 . . 570 . 128 SER CB C 64.639 . . 571 . 128 SER H H 8.591 . . 572 . 128 SER N N 120.6 . . 573 . 129 TYR C C 173.7 . . 574 . 129 TYR CA C 56.095 . . 575 . 129 TYR CB C 42.019 . . 576 . 129 TYR H H 8.094 . . 577 . 129 TYR N N 118.39 . . 578 . 130 GLU C C 175.5 . . 579 . 130 GLU CA C 54.451 . . 580 . 130 GLU CB C 33.812 . . 581 . 130 GLU H H 8.717 . . 582 . 130 GLU N N 117.38 . . 583 . 131 GLN C C 176.08 . . 584 . 131 GLN CA C 55.821 . . 585 . 131 GLN CB C 29.952 . . 586 . 131 GLN H H 8.919 . . 587 . 131 GLN N N 122.74 . . 588 . 132 SER C C 174.7 . . 589 . 132 SER CA C 55.995 . . 590 . 132 SER CB C 65.199 . . 591 . 132 SER H H 8.648 . . 592 . 132 SER N N 118.49 . . 593 . 133 GLU C C 176.3 . . 594 . 133 GLU CA C 55.421 . . 595 . 133 GLU CB C 32.312 . . 596 . 133 GLU H H 8.36 . . 597 . 133 GLU N N 121.07 . . 598 . 134 ARG C C 174.2 . . 599 . 134 ARG CA C 53.721 . . 600 . 134 ARG CB C 35.699 . . 601 . 134 ARG H H 8.859 . . 602 . 134 ARG N N 121.87 . . 603 . 135 ARG C C 176.89 . . 604 . 135 ARG CA C 54.621 . . 605 . 135 ARG CB C 30.599 . . 606 . 135 ARG H H 7.835 . . 607 . 135 ARG N N 119.67 . . 608 . 136 PHE C C 178.213 . . 609 . 136 PHE CA C 58.795 . . 610 . 136 PHE CB C 38.339 . . 611 . 136 PHE H H 8.925 . . 612 . 136 PHE N N 124.06 . . 613 . 137 LYS C C 175.2 . . 614 . 137 LYS CA C 57.421 . . 615 . 137 LYS CB C 33.499 . . 616 . 137 LYS H H 8.356 . . 617 . 137 LYS N N 119.88 . . 618 . 138 GLU CA C 53.621 . . 619 . 138 GLU CB C 31.612 . . 620 . 138 GLU H H 7.08 . . 621 . 138 GLU N N 117.6 . . 622 . 139 PRO C C 176.1 . . 623 . 139 PRO CA C 63.011 . . 624 . 139 PRO CB C 31.999 . . 625 . 140 PHE CA C 57.995 . . 626 . 140 PHE CB C 39.739 . . 627 . 140 PHE H H 8.396 . . 628 . 140 PHE N N 123.39 . . stop_ save_