data_15738 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Carbon storage regulator from Helicobacter pylori ; _BMRB_accession_number 15738 _BMRB_flat_file_name bmr15738.str _Entry_type original _Submission_date 2008-04-21 _Accession_date 2008-04-21 _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 Yang Chun-Jun . . 2 Chen Heng-Li . . 3 Cheng Hsi-Tsung . . 4 Chiu Chui-Lin . . 5 Cheng Jya-Wei . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 147 "13C chemical shifts" 227 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-05 original author . stop_ _Original_release_date 2014-03-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Characterization and DNA Binding Sequence Selection of the CsrA Protein from Helicobacter pylori' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Chun-Jun . . 2 Chen Heng-Li . . 3 Cheng Hsi-Tsung . . 4 Chiu Chui-Lin . . 5 Cheng Jya-Wei . . stop_ _Journal_abbreviation . _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 . _Details . loop_ _Keyword CsrA NMR 'RNA/DNA binding' SELEX stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HP1442 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HP1442, chain A' $HP1442 'HP1442, chain B' $HP1442 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details homodimer save_ ######################## # Monomeric polymers # ######################## save_HP1442 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HP1442 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; MALILSRKVNEGIVIDDNIH IKVISIDRGSVRLGFEAPES TLILRAELKEAIVSENQKAS VCVDESLLENIKKVIKPLEH HHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LEU 4 ILE 5 LEU 6 SER 7 ARG 8 LYS 9 VAL 10 ASN 11 GLU 12 GLY 13 ILE 14 VAL 15 ILE 16 ASP 17 ASP 18 ASN 19 ILE 20 HIS 21 ILE 22 LYS 23 VAL 24 ILE 25 SER 26 ILE 27 ASP 28 ARG 29 GLY 30 SER 31 VAL 32 ARG 33 LEU 34 GLY 35 PHE 36 GLU 37 ALA 38 PRO 39 GLU 40 SER 41 THR 42 LEU 43 ILE 44 LEU 45 ARG 46 ALA 47 GLU 48 LEU 49 LYS 50 GLU 51 ALA 52 ILE 53 VAL 54 SER 55 GLU 56 ASN 57 GLN 58 LYS 59 ALA 60 SER 61 VAL 62 CYS 63 VAL 64 ASP 65 GLU 66 SER 67 LEU 68 LEU 69 GLU 70 ASN 71 ILE 72 LYS 73 LYS 74 VAL 75 ILE 76 LYS 77 PRO 78 LEU 79 GLU 80 HIS 81 HIS 82 HIS 83 HIS 84 HIS 85 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 DBJ BAJ57406 "carbon storage regulator [Helicobacter pylori F30]" 88.24 76 98.67 98.67 5.47e-42 DBJ BAJ58911 "carbon storage regulator [Helicobacter pylori F32]" 88.24 76 98.67 98.67 1.60e-41 DBJ BAJ60431 "carbon storage regulator [Helicobacter pylori F57]" 88.24 76 97.33 98.67 9.54e-41 DBJ BAM97263 "carbon storage regulator [Helicobacter pylori OK113]" 88.24 76 97.33 97.33 6.31e-41 DBJ BAM98719 "carbon storage regulator [Helicobacter pylori OK310]" 88.24 76 97.33 97.33 9.85e-41 EMBL CAX30116 "Carbon storage regulator [Helicobacter pylori B38]" 88.24 76 98.67 100.00 2.97e-42 EMBL CBI65651 "carbon storage regulator [Helicobacter pylori B8]" 88.24 76 100.00 100.00 9.09e-43 GB AAD08480 "carbon storage regulator (csrA) [Helicobacter pylori 26695]" 88.24 76 100.00 100.00 9.09e-43 GB ABF85435 "carbon storage regulator [Helicobacter pylori HPAG1]" 88.24 76 97.33 98.67 1.07e-41 GB ACD48869 "carbon storage regulator [Helicobacter pylori Shi470]" 88.24 76 97.33 97.33 6.31e-41 GB ACJ08568 "carbon storage regulator [Helicobacter pylori P12]" 88.24 76 97.33 97.33 6.31e-41 GB ACX98483 "carbon storage regulator [Helicobacter pylori 51]" 88.24 76 97.33 97.33 6.31e-41 REF NP_208233 "carbon storage regulator [Helicobacter pylori 26695]" 88.24 76 100.00 100.00 9.09e-43 REF WP_000906438 "carbon storage regulator [Helicobacter pylori]" 88.24 76 97.33 98.67 2.79e-41 REF WP_000906439 "carbon storage regulator homolog [Helicobacter pylori]" 88.24 76 97.33 98.67 6.23e-42 REF WP_000906441 "carbon storage regulator [Helicobacter pylori]" 88.24 76 98.67 98.67 3.24e-42 REF WP_000906442 "carbon storage regulator [Helicobacter pylori]" 88.24 76 97.33 98.67 1.07e-41 SP B2UVI7 "RecName: Full=Carbon storage regulator homolog" 88.24 76 97.33 97.33 6.31e-41 SP B6JNU0 "RecName: Full=Carbon storage regulator homolog" 88.24 76 97.33 97.33 6.31e-41 SP O25983 "RecName: Full=Carbon storage regulator homolog" 88.24 76 100.00 100.00 9.09e-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 _Strain _Gene_mnemonic $HP1442 'Helicobacter pylori' 210 Bacteria . Helicobacter pylori 'H. pylori 26695' HP1442 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 $HP1442 'recombinant technology' . Escherichia coli K12 pETBlue-2 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 $HP1442 1 mM '[U-13C; U-15N]' 'potassium phosphate' 30 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' DTT 5 mM 'natural abundance' 'sodium azide' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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 pH 6.5 . 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 C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $SPARKY $xwinnmr stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '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 'HP1442, chain A' _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 3 3 LEU H H 8.432 . 1 2 3 3 LEU HA H 4.656 . 1 3 3 3 LEU C C 172.421 . 1 4 3 3 LEU CA C 52.523 . 1 5 3 3 LEU CB C 41.755 . 1 6 3 3 LEU N N 122.93 . 1 7 4 4 ILE H H 8.668 . 1 8 4 4 ILE HA H 5.227 . 1 9 4 4 ILE C C 173.085 . 1 10 4 4 ILE CA C 57.952 . 1 11 4 4 ILE CB C 37.204 . 1 12 4 4 ILE N N 126.738 . 1 13 5 5 LEU H H 9.118 . 1 14 5 5 LEU HA H 4.844 . 1 15 5 5 LEU C C 172.532 . 1 16 5 5 LEU CA C 51.21 . 1 17 5 5 LEU CB C 44.204 . 1 18 5 5 LEU N N 126.604 . 1 19 6 6 SER H H 8.693 . 1 20 6 6 SER HA H 5.566 . 1 21 6 6 SER C C 173.47 . 1 22 6 6 SER CA C 54.296 . 1 23 6 6 SER CB C 61.965 . 1 24 6 6 SER N N 117.552 . 1 25 7 7 ARG H H 9.381 . 1 26 7 7 ARG HA H 4.979 . 1 27 7 7 ARG C C 170.873 . 1 28 7 7 ARG CA C 52.949 . 1 29 7 7 ARG CB C 36.95 . 1 30 7 7 ARG N N 125.731 . 1 31 8 8 LYS H H 9.198 . 1 32 8 8 LYS C C 173.415 . 1 33 8 8 LYS CA C 51.923 . 1 34 8 8 LYS CB C 32 . 1 35 8 8 LYS N N 122.039 . 1 36 9 9 VAL H H 7.878 . 1 37 9 9 VAL HA H 3.275 . 1 38 9 9 VAL C C 173.539 . 1 39 9 9 VAL CA C 63.374 . 1 40 9 9 VAL CB C 28.672 . 1 41 9 9 VAL N N 117.544 . 1 42 10 10 ASN H H 8.995 . 1 43 10 10 ASN HA H 4.174 . 1 44 10 10 ASN C C 172.355 . 1 45 10 10 ASN CA C 53.609 . 1 46 10 10 ASN CB C 34.995 . 1 47 10 10 ASN N N 117.549 . 1 48 11 11 GLU H H 8.033 . 1 49 11 11 GLU HA H 4.568 . 1 50 11 11 GLU C C 174.13 . 1 51 11 11 GLU CA C 54.023 . 1 52 11 11 GLU CB C 28.94 . 1 53 11 11 GLU N N 118.707 . 1 54 12 12 GLY H H 8.961 . 1 55 12 12 GLY HA2 H 5.371 . 2 56 12 12 GLY HA3 H 5.371 . 2 57 12 12 GLY C C 172.334 . 1 58 12 12 GLY CA C 42.819 . 1 59 12 12 GLY N N 104.74 . 1 60 13 13 ILE H H 9.262 . 1 61 13 13 ILE HA H 4.605 . 1 62 13 13 ILE C C 170.516 . 1 63 13 13 ILE CA C 57.609 . 1 64 13 13 ILE CB C 40.965 . 1 65 13 13 ILE N N 122.665 . 1 66 14 14 VAL H H 9.159 . 1 67 14 14 VAL HA H 4.956 . 1 68 14 14 VAL C C 171.923 . 1 69 14 14 VAL CA C 57.744 . 1 70 14 14 VAL CB C 31.318 . 1 71 14 14 VAL N N 126.31 . 1 72 15 15 ILE H H 9.14 . 1 73 15 15 ILE HA H 4.844 . 1 74 15 15 ILE C C 172.058 . 1 75 15 15 ILE CA C 57.309 . 1 76 15 15 ILE CB C 37.086 . 1 77 15 15 ILE N N 127.593 . 1 78 16 16 ASP H H 9.401 . 1 79 16 16 ASP HA H 4.261 . 1 80 16 16 ASP C C 172.397 . 1 81 16 16 ASP CA C 53.82 . 1 82 16 16 ASP CB C 37.026 . 1 83 16 16 ASP N N 126.023 . 1 84 17 17 ASP H H 8.499 . 1 85 17 17 ASP HA H 4.177 . 1 86 17 17 ASP C C 174.175 . 1 87 17 17 ASP CA C 54.583 . 1 88 17 17 ASP CB C 39.23 . 1 89 17 17 ASP N N 112.908 . 1 90 18 18 ASN H H 8.121 . 1 91 18 18 ASN HA H 4.832 . 1 92 18 18 ASN C C 171.454 . 1 93 18 18 ASN CA C 51.237 . 1 94 18 18 ASN CB C 38.202 . 1 95 18 18 ASN N N 115.485 . 1 96 19 19 ILE H H 7.88 . 1 97 19 19 ILE HA H 4.847 . 1 98 19 19 ILE C C 171.622 . 1 99 19 19 ILE CA C 58.556 . 1 100 19 19 ILE CB C 36.848 . 1 101 19 19 ILE N N 120.161 . 1 102 20 20 HIS H H 9.199 . 1 103 20 20 HIS HA H 5.13 . 1 104 20 20 HIS C C 171.986 . 1 105 20 20 HIS CA C 52.547 . 1 106 20 20 HIS CB C 29.673 . 1 107 20 20 HIS N N 126.542 . 1 108 21 21 ILE H H 9.139 . 1 109 21 21 ILE HA H 4.74 . 1 110 21 21 ILE C C 171.929 . 1 111 21 21 ILE CA C 57.153 . 1 112 21 21 ILE CB C 38.114 . 1 113 21 21 ILE N N 124.095 . 1 114 22 22 LYS H H 9.093 . 1 115 22 22 LYS HA H 4.815 . 1 116 22 22 LYS C C 172.854 . 1 117 22 22 LYS CA C 52.126 . 1 118 22 22 LYS CB C 34.128 . 1 119 22 22 LYS N N 127.436 . 1 120 23 23 VAL H H 8.11 . 1 121 23 23 VAL HA H 3.927 . 1 122 23 23 VAL C C 172.431 . 1 123 23 23 VAL CA C 60.784 . 1 124 23 23 VAL CB C 27.396 . 1 125 23 23 VAL N N 124.165 . 1 126 24 24 ILE H H 8.749 . 1 127 24 24 ILE HA H 3.94 . 1 128 24 24 ILE C C 173.598 . 1 129 24 24 ILE CA C 60.009 . 1 130 24 24 ILE CB C 35.282 . 1 131 24 24 ILE N N 130.67 . 1 132 25 25 SER H H 7.496 . 1 133 25 25 SER HA H 4.429 . 1 134 25 25 SER C C 169.12 . 1 135 25 25 SER CA C 55.621 . 1 136 25 25 SER CB C 62.348 . 1 137 25 25 SER N N 108.958 . 1 138 26 26 ILE H H 8.412 . 1 139 26 26 ILE C C 171.678 . 1 140 26 26 ILE CA C 59.78 . 1 141 26 26 ILE CB C 38.41 . 1 142 26 26 ILE N N 122.088 . 1 143 27 27 ASP H H 8.57 . 1 144 27 27 ASP HA H 4.848 . 1 145 27 27 ASP C C 172.397 . 1 146 27 27 ASP CA C 50.914 . 1 147 27 27 ASP CB C 40.671 . 1 148 27 27 ASP N N 127.14 . 1 149 28 28 ARG H H 8.612 . 1 150 28 28 ARG HA H 3.937 . 1 151 28 28 ARG C C 174.195 . 1 152 28 28 ARG CA C 55.603 . 1 153 28 28 ARG CB C 26.125 . 1 154 28 28 ARG N N 120.118 . 1 155 29 29 GLY H H 8.481 . 1 156 29 29 GLY C C 170.598 . 1 157 29 29 GLY CA C 43.112 . 1 158 29 29 GLY N N 107.415 . 1 159 30 30 SER H H 7.555 . 1 160 30 30 SER HA H 4.972 . 1 161 30 30 SER C C 168.667 . 1 162 30 30 SER CA C 55.076 . 1 163 30 30 SER CB C 63.347 . 1 164 30 30 SER N N 113.348 . 1 165 31 31 VAL H H 9.1 . 1 166 31 31 VAL HA H 4.965 . 1 167 31 31 VAL C C 170.074 . 1 168 31 31 VAL CA C 55.698 . 1 169 31 31 VAL CB C 32.709 . 1 170 31 31 VAL N N 119.102 . 1 171 32 32 ARG H H 8.451 . 1 172 32 32 ARG HA H 4.979 . 1 173 32 32 ARG C C 172.241 . 1 174 32 32 ARG CA C 53.174 . 1 175 32 32 ARG CB C 29.17 . 1 176 32 32 ARG N N 124.602 . 1 177 33 33 LEU H H 8.855 . 1 178 33 33 LEU HA H 4.979 . 1 179 33 33 LEU C C 171.563 . 1 180 33 33 LEU CA C 50.184 . 1 181 33 33 LEU CB C 43.166 . 1 182 33 33 LEU N N 124.813 . 1 183 34 34 GLY H H 9.31 . 1 184 34 34 GLY HA2 H 5.162 . 2 185 34 34 GLY HA3 H 5.162 . 2 186 34 34 GLY C C 170.111 . 1 187 34 34 GLY CA C 41.741 . 1 188 34 34 GLY N N 109.131 . 1 189 35 35 PHE H H 9.325 . 1 190 35 35 PHE HA H 5.26 . 1 191 35 35 PHE C C 173.082 . 1 192 35 35 PHE CA C 54.643 . 1 193 35 35 PHE CB C 40.372 . 1 194 35 35 PHE N N 120.535 . 1 195 36 36 GLU H H 9.069 . 1 196 36 36 GLU HA H 4.695 . 1 197 36 36 GLU C C 171.101 . 1 198 36 36 GLU CA C 53.338 . 1 199 36 36 GLU CB C 29.092 . 1 200 36 36 GLU N N 124.483 . 1 201 37 37 ALA H H 8.287 . 1 202 37 37 ALA HA H 5.242 . 1 203 37 37 ALA C C 171.007 . 1 204 37 37 ALA CA C 47.638 . 1 205 37 37 ALA CB C 18.278 . 1 206 37 37 ALA N N 126.668 . 1 207 38 38 PRO C C 175.153 . 1 208 38 38 PRO CA C 60.538 . 1 209 38 38 PRO CB C 29.79 . 1 210 39 39 GLU H H 9.005 . 1 211 39 39 GLU HA H 4.062 . 1 212 39 39 GLU C C 173.841 . 1 213 39 39 GLU CA C 56.956 . 1 214 39 39 GLU CB C 26.863 . 1 215 39 39 GLU N N 122.857 . 1 216 40 40 SER H H 7.701 . 1 217 40 40 SER HA H 4.179 . 1 218 40 40 SER C C 172.063 . 1 219 40 40 SER CA C 56.299 . 1 220 40 40 SER CB C 60.859 . 1 221 40 40 SER N N 109.073 . 1 222 41 41 THR H H 7.641 . 1 223 41 41 THR HA H 4.339 . 1 224 41 41 THR C C 170.911 . 1 225 41 41 THR CA C 61.858 . 1 226 41 41 THR CB C 66.913 . 1 227 41 41 THR N N 121.933 . 1 228 42 42 LEU H H 9.031 . 1 229 42 42 LEU HA H 4.389 . 1 230 42 42 LEU C C 172.117 . 1 231 42 42 LEU CA C 51.751 . 1 232 42 42 LEU CB C 40.651 . 1 233 42 42 LEU N N 131.756 . 1 234 43 43 ILE H H 8.122 . 1 235 43 43 ILE HA H 4.232 . 1 236 43 43 ILE C C 171.579 . 1 237 43 43 ILE CA C 58.891 . 1 238 43 43 ILE CB C 35.941 . 1 239 43 43 ILE N N 126.335 . 1 240 44 44 LEU H H 8.526 . 1 241 44 44 LEU HA H 4.71 . 1 242 44 44 LEU CA C 50.312 . 1 243 44 44 LEU CB C 44.257 . 1 244 44 44 LEU N N 125.56 . 1 245 45 45 ARG H H 8.375 . 1 246 45 45 ARG C C 174.834 . 1 247 45 45 ARG CA C 55.322 . 1 248 45 45 ARG CB C 27.395 . 1 249 45 45 ARG N N 121.778 . 1 250 46 46 ALA H H 7.938 . 1 251 46 46 ALA C C 176.009 . 1 252 46 46 ALA CA C 53.026 . 1 253 46 46 ALA CB C 15.879 . 1 254 46 46 ALA N N 125.704 . 1 255 47 47 GLU H H 10.366 . 1 256 47 47 GLU HA H 4.349 . 1 257 47 47 GLU C C 174.255 . 1 258 47 47 GLU CA C 55.239 . 1 259 47 47 GLU CB C 24.396 . 1 260 47 47 GLU N N 117.209 . 1 261 48 48 LEU H H 7.56 . 1 262 48 48 LEU HA H 4.354 . 1 263 48 48 LEU C C 174.824 . 1 264 48 48 LEU CA C 52.989 . 1 265 48 48 LEU CB C 39.174 . 1 266 48 48 LEU N N 121.582 . 1 267 49 49 LYS H H 7.561 . 1 268 49 49 LYS HA H 4.13 . 1 269 49 49 LYS C C 173.798 . 1 270 49 49 LYS CA C 54.46 . 1 271 49 49 LYS CB C 30.09 . 1 272 49 49 LYS N N 120.034 . 1 273 50 50 GLU H H 8.076 . 1 274 50 50 GLU HA H 4.137 . 1 275 50 50 GLU C C 173.559 . 1 276 50 50 GLU CA C 54.475 . 1 277 50 50 GLU CB C 27.556 . 1 278 50 50 GLU N N 120.144 . 1 279 51 51 ALA H H 7.967 . 1 280 51 51 ALA HA H 4.229 . 1 281 51 51 ALA C C 175.049 . 1 282 51 51 ALA CA C 50.315 . 1 283 51 51 ALA CB C 16.545 . 1 284 51 51 ALA N N 123.907 . 1 285 52 52 ILE H H 7.967 . 1 286 52 52 ILE HA H 4.037 . 1 287 52 52 ILE C C 173.887 . 1 288 52 52 ILE CA C 59.232 . 1 289 52 52 ILE CB C 35.985 . 1 290 52 52 ILE N N 120.063 . 1 291 53 53 VAL H H 8.143 . 1 292 53 53 VAL HA H 4.046 . 1 293 53 53 VAL C C 173.665 . 1 294 53 53 VAL CA C 60.341 . 1 295 53 53 VAL CB C 30.011 . 1 296 53 53 VAL N N 123.876 . 1 297 54 54 SER H H 8.261 . 1 298 54 54 SER HA H 4.357 . 1 299 54 54 SER C C 172.22 . 1 300 54 54 SER CA C 56.23 . 1 301 54 54 SER CB C 61.628 . 1 302 54 54 SER N N 118.97 . 1 303 55 55 GLU H H 8.425 . 1 304 55 55 GLU HA H 4.183 . 1 305 55 55 GLU C C 173.96 . 1 306 55 55 GLU CA C 54.89 . 1 307 55 55 GLU CB C 27.447 . 1 308 55 55 GLU N N 122.537 . 1 309 56 56 ASN H H 8.317 . 1 310 56 56 ASN HA H 4.578 . 1 311 56 56 ASN C C 172.767 . 1 312 56 56 ASN CA C 51.267 . 1 313 56 56 ASN CB C 36.145 . 1 314 56 56 ASN N N 118.391 . 1 315 57 57 GLN H H 8.163 . 1 316 57 57 GLN HA H 4.197 . 1 317 57 57 GLN C C 173.44 . 1 318 57 57 GLN CA C 53.892 . 1 319 57 57 GLN CB C 26.63 . 1 320 57 57 GLN N N 120.128 . 1 321 58 58 LYS H H 8.128 . 1 322 58 58 LYS HA H 4.205 . 1 323 58 58 LYS C C 173.703 . 1 324 58 58 LYS CA C 54.096 . 1 325 58 58 LYS CB C 30.291 . 1 326 58 58 LYS N N 121.704 . 1 327 59 59 ALA H H 8.166 . 1 328 59 59 ALA HA H 4.241 . 1 329 59 59 ALA C C 175.076 . 1 330 59 59 ALA CA C 50.164 . 1 331 59 59 ALA CB C 16.672 . 1 332 59 59 ALA N N 124.392 . 1 333 60 60 SER H H 8.175 . 1 334 60 60 SER HA H 4.368 . 1 335 60 60 SER C C 171.718 . 1 336 60 60 SER CA C 55.991 . 1 337 60 60 SER CB C 61.597 . 1 338 60 60 SER N N 114.953 . 1 339 61 61 VAL H H 8 . 1 340 61 61 VAL HA H 4.114 . 1 341 61 61 VAL C C 173.083 . 1 342 61 61 VAL CA C 59.838 . 1 343 61 61 VAL CB C 30.156 . 1 344 61 61 VAL N N 120.895 . 1 345 62 62 CYS H H 8.38 . 1 346 62 62 CYS HA H 4.484 . 1 347 62 62 CYS C C 171.856 . 1 348 62 62 CYS CA C 56.105 . 1 349 62 62 CYS CB C 25.429 . 1 350 62 62 CYS N N 123.31 . 1 351 63 63 VAL H H 8.256 . 1 352 63 63 VAL HA H 4.069 . 1 353 63 63 VAL C C 172.794 . 1 354 63 63 VAL CA C 60.011 . 1 355 63 63 VAL CB C 30.232 . 1 356 63 63 VAL N N 122.809 . 1 357 64 64 ASP H H 8.214 . 1 358 64 64 ASP HA H 4.54 . 1 359 64 64 ASP C C 173.938 . 1 360 64 64 ASP CA C 51.79 . 1 361 64 64 ASP CB C 38.727 . 1 362 64 64 ASP N N 123.637 . 1 363 65 65 GLU H H 8.561 . 1 364 65 65 GLU HA H 4.096 . 1 365 65 65 GLU C C 174.525 . 1 366 65 65 GLU CA C 55.358 . 1 367 65 65 GLU CB C 27.239 . 1 368 65 65 GLU N N 123.135 . 1 369 66 66 SER H H 8.399 . 1 370 66 66 SER HA H 4.267 . 1 371 66 66 SER C C 172.499 . 1 372 66 66 SER CA C 57.475 . 1 373 66 66 SER CB C 61.16 . 1 374 66 66 SER N N 116.026 . 1 375 67 67 LEU H H 7.8 . 1 376 67 67 LEU HA H 4.261 . 1 377 67 67 LEU C C 175.122 . 1 378 67 67 LEU CA C 53.263 . 1 379 67 67 LEU CB C 39.462 . 1 380 67 67 LEU N N 122.554 . 1 381 68 68 LEU H H 7.794 . 1 382 68 68 LEU HA H 4.186 . 1 383 68 68 LEU C C 175.115 . 1 384 68 68 LEU CA C 53.398 . 1 385 68 68 LEU CB C 39.504 . 1 386 68 68 LEU N N 120.605 . 1 387 69 69 GLU H H 8.111 . 1 388 69 69 GLU HA H 4.111 . 1 389 69 69 GLU C C 173.955 . 1 390 69 69 GLU CA C 54.849 . 1 391 69 69 GLU CB C 27.493 . 1 392 69 69 GLU N N 119.474 . 1 393 70 70 ASN H H 8.202 . 1 394 70 70 ASN HA H 4.567 . 1 395 70 70 ASN C C 172.885 . 1 396 70 70 ASN CA C 51.421 . 1 397 70 70 ASN CB C 36.177 . 1 398 70 70 ASN N N 118.21 . 1 399 71 71 ILE H H 7.836 . 1 400 71 71 ILE HA H 4.037 . 1 401 71 71 ILE C C 173.654 . 1 402 71 71 ILE CA C 59.486 . 1 403 71 71 ILE CB C 36.01 . 1 404 71 71 ILE N N 119.96 . 1 405 72 72 LYS H H 8.1 . 1 406 72 72 LYS HA H 4.193 . 1 407 72 72 LYS C C 173.61 . 1 408 72 72 LYS CA C 54.157 . 1 409 72 72 LYS CB C 30.129 . 1 410 72 72 LYS N N 123.399 . 1 411 73 73 LYS H H 8.025 . 1 412 73 73 LYS HA H 4.229 . 1 413 73 73 LYS C C 173.552 . 1 414 73 73 LYS CA C 53.994 . 1 415 73 73 LYS CB C 30.349 . 1 416 73 73 LYS N N 121.738 . 1 417 74 74 VAL H H 8.042 . 1 418 74 74 VAL HA H 4.016 . 1 419 74 74 VAL C C 173.142 . 1 420 74 74 VAL CA C 60.047 . 1 421 74 74 VAL CB C 30.133 . 1 422 74 74 VAL N N 121.668 . 1 423 75 75 ILE H H 8.2 . 1 424 75 75 ILE HA H 4.083 . 1 425 75 75 ILE C C 173.087 . 1 426 75 75 ILE CA C 58.429 . 1 427 75 75 ILE CB C 35.868 . 1 428 75 75 ILE N N 125.542 . 1 429 76 76 LYS H H 8.308 . 1 430 76 76 LYS HA H 4.539 . 1 431 76 76 LYS C C 171.47 . 1 432 76 76 LYS CA C 51.722 . 1 433 76 76 LYS CB C 29.904 . 1 434 76 76 LYS N N 127.049 . 1 435 77 77 PRO C C 174.087 . 1 436 77 77 PRO CA C 60.782 . 1 437 77 77 PRO CB C 29.412 . 1 438 78 78 LEU H H 8.247 . 1 439 78 78 LEU HA H 4.158 . 1 440 78 78 LEU C C 174.683 . 1 441 78 78 LEU CA C 52.893 . 1 442 78 78 LEU CB C 39.703 . 1 443 78 78 LEU N N 121.787 . 1 444 79 79 GLU H H 8.229 . 1 445 79 79 GLU HA H 4.141 . 1 446 79 79 GLU C C 173.281 . 1 447 79 79 GLU CA C 53.986 . 1 448 79 79 GLU CB C 27.791 . 1 449 79 79 GLU N N 121.211 . 1 stop_ save_