data_6402 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the carbon storage regulator CsrA from E. coli ; _BMRB_accession_number 6402 _BMRB_flat_file_name bmr6402.str _Entry_type original _Submission_date 2004-11-26 _Accession_date 2004-11-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gutierrez Pablo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 206 "13C chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-05-23 original author . stop_ _Original_release_date 2005-05-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the carbon storage regulator protein CsrA from Escherichia coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15866937 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gutierrez P. . . 2 Li Y. . . 3 Osborne M. J. . 4 Pomerantseva E. . . 5 Liu Q. . . 6 Gehring K. . . stop_ _Journal_abbreviation 'J. Bacteriol.' _Journal_volume 187 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3496 _Page_last 3501 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_CsrA _Saveframe_category molecular_system _Mol_system_name 'CsrA dimer' _Abbreviation_common CsrA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CsrA subunit A' $CsrA 'CsrA subunit B' $CsrA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'CsrA subunit A' 1 'CsrA subunit B' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CsrA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Carbon storage regulator' _Abbreviation_common CsrA _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; MLILTRRVGETLMIGDEVTV TVLGVKGNQVRIGVNAPKEV SVHREEIYQRIQAEKSQQSS Y ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 ILE 4 LEU 5 THR 6 ARG 7 ARG 8 VAL 9 GLY 10 GLU 11 THR 12 LEU 13 MET 14 ILE 15 GLY 16 ASP 17 GLU 18 VAL 19 THR 20 VAL 21 THR 22 VAL 23 LEU 24 GLY 25 VAL 26 LYS 27 GLY 28 ASN 29 GLN 30 VAL 31 ARG 32 ILE 33 GLY 34 VAL 35 ASN 36 ALA 37 PRO 38 LYS 39 GLU 40 VAL 41 SER 42 VAL 43 HIS 44 ARG 45 GLU 46 GLU 47 ILE 48 TYR 49 GLN 50 ARG 51 ILE 52 GLN 53 ALA 54 GLU 55 LYS 56 SER 57 GLN 58 GLN 59 SER 60 SER 61 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-16 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 1Y00 "Solution Structure Of The Carbon Storage Regulator Protein Csra" 98.36 61 100.00 100.00 4.99e-33 DBJ BAA16558 "pleiotropic regulatory protein for carbon source metabolism [Escherichia coli str. K-12 substr. W3110]" 100.00 61 100.00 100.00 3.93e-34 DBJ BAA21555 "ZfiA protein [Escherichia coli]" 100.00 61 100.00 100.00 3.93e-34 DBJ BAB36976 "carbon storage regulator [Escherichia coli O157:H7 str. Sakai]" 100.00 61 100.00 100.00 3.93e-34 DBJ BAG78468 "carbon storage regulator [Escherichia coli SE11]" 100.00 61 100.00 100.00 3.93e-34 DBJ BAH64816 "carbon storage regulator [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 100.00 61 100.00 100.00 3.93e-34 EMBL CAB45388 "RsmA protein [Serratia marcescens]" 91.80 69 100.00 100.00 3.58e-30 EMBL CAD05932 "carbon storage regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 61 100.00 100.00 3.93e-34 EMBL CAG21381 "putative carbon storage regulator [Photobacterium profundum SS9]" 90.16 65 98.18 98.18 2.35e-28 EMBL CAP77131 "Carbon storage regulator [Escherichia coli LF82]" 100.00 61 100.00 100.00 3.93e-34 EMBL CAQ33028 "carbon storage regulator; pleiotropic regulatory protein for carbon source metabolism, subunit of CsrA complex with CsrB RNA [E" 100.00 61 100.00 100.00 3.93e-34 GB AAA71919 "carbon storage regulator [Escherichia coli]" 100.00 61 100.00 100.00 3.93e-34 GB AAC25783 "RsmA [Serratia marcescens]" 91.80 69 100.00 100.00 3.58e-30 GB AAC75738 "pleiotropic regulatory protein for carbon source metabolism [Escherichia coli str. K-12 substr. MG1655]" 100.00 61 100.00 100.00 3.93e-34 GB AAF80413 "carbon storage regulator CsrA [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 61 100.00 100.00 3.93e-34 GB AAG35184 "carbon storage regulator CsrA [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 61 100.00 100.00 3.93e-34 PIR AE0843 "carbon storage regulator csrA [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 61 100.00 100.00 3.93e-34 REF NP_289242 "carbon storage regulator [Escherichia coli O157:H7 str. EDL933]" 100.00 61 100.00 100.00 3.93e-34 REF NP_311580 "carbon storage regulator [Escherichia coli O157:H7 str. Sakai]" 100.00 61 100.00 100.00 3.93e-34 REF NP_417176 "pleiotropic regulatory protein for carbon source metabolism [Escherichia coli str. K-12 substr. MG1655]" 100.00 61 100.00 100.00 3.93e-34 REF NP_457219 "carbon storage regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 61 100.00 100.00 3.93e-34 REF NP_461747 "carbon storage regulator [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 61 100.00 100.00 3.93e-34 SP A3QC90 "RecName: Full=Carbon storage regulator homolog [Shewanella loihica PV-4]" 85.25 65 100.00 100.00 6.12e-27 SP A4SSA1 "RecName: Full=Carbon storage regulator homolog [Aeromonas salmonicida subsp. salmonicida A449]" 90.16 62 98.18 98.18 2.41e-28 SP A4WDQ5 "RecName: Full=Carbon storage regulator homolog [Enterobacter sp. 638]" 100.00 61 100.00 100.00 3.93e-34 SP A6TCV8 "RecName: Full=Carbon storage regulator homolog [Klebsiella pneumoniae subsp. pneumoniae MGH 78578]" 100.00 61 100.00 100.00 3.93e-34 SP A7MJ32 "RecName: Full=Carbon storage regulator homolog [Cronobacter sakazakii ATCC BAA-894]" 100.00 61 100.00 100.00 3.93e-34 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 $CsrA 'E. coli' 562 Eubacteria . Escherichia coli K12 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 $CsrA '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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CsrA . mM 1.0 4 . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $Sample_1 save_ ####################### # Sample conditions # ####################### save_Cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 0.2 pH temperature 310 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation 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 $Cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'CsrA subunit 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 . 1 MET CA C 52.510 . 1 2 . 1 MET HA H 4.534 . 1 3 . 1 MET CB C 31.299 . 1 4 . 2 LEU H H 8.232 . 1 5 . 2 LEU CA C 51.096 . 1 6 . 2 LEU HA H 4.481 . 1 7 . 2 LEU CB C 41.009 . 1 8 . 2 LEU HB3 H 1.468 . 2 9 . 2 LEU CG C 24.178 . 1 10 . 2 LEU HG H 1.408 . 1 11 . 2 LEU CD1 C 21.471 . 1 12 . 2 LEU HD1 H 0.775 . 2 13 . 2 LEU CD2 C 21.471 . 1 14 . 2 LEU HD2 H 0.710 . 2 15 . 3 ILE H H 8.355 . 1 16 . 3 ILE CA C 57.600 . 1 17 . 3 ILE HA H 4.890 . 1 18 . 3 ILE CB C 35.730 . 1 19 . 3 ILE HB H 1.536 . 1 20 . 3 ILE CG1 C 24.449 . 2 21 . 3 ILE HG13 H 1.333 . 1 22 . 3 ILE CD1 C 9.919 . 1 23 . 3 ILE HD1 H 0.524 . 1 24 . 3 ILE CG2 C 14.161 . 1 25 . 3 ILE HG2 H 0.550 . 1 26 . 4 LEU H H 9.079 . 1 27 . 4 LEU CA C 50.907 . 1 28 . 4 LEU HA H 4.730 . 1 29 . 4 LEU CB C 42.317 . 1 30 . 4 LEU HB3 H 1.402 . 2 31 . 4 LEU CG C 23.907 . 1 32 . 4 LEU HG H 1.561 . 1 33 . 4 LEU CD1 C 22.193 . 1 34 . 4 LEU HD1 H 1.209 . 1 35 . 4 LEU CD2 C 22.193 . 1 36 . 4 LEU HD2 H 1.209 . 1 37 . 5 THR CA C 57.600 . 1 38 . 5 THR HA H 5.300 . 1 39 . 5 THR CB C 67.204 . 1 40 . 5 THR HB H 3.801 . 1 41 . 5 THR CG2 C 18.850 . 1 42 . 5 THR HG2 H 0.920 . 1 43 . 6 ARG H H 9.204 . 1 44 . 6 ARG CA C 51.756 . 1 45 . 6 ARG HA H 4.748 . 1 46 . 6 ARG CB C 33.980 . 1 47 . 6 ARG HB3 H 1.544 . 2 48 . 6 ARG HB2 H 1.680 . 2 49 . 7 ARG H H 9.249 . 1 50 . 7 ARG CA C 51.096 . 1 51 . 7 ARG HA H 5.051 . 1 52 . 7 ARG CB C 29.051 . 1 53 . 7 ARG HB3 H 1.646 . 2 54 . 7 ARG CG C 25.080 . 1 55 . 7 ARG HG3 H 1.412 . 2 56 . 7 ARG HG2 H 1.478 . 2 57 . 7 ARG CD C 40.332 . 1 58 . 7 ARG HD3 H 3.042 . 2 59 . 8 VAL H H 7.510 . 1 60 . 8 VAL CA C 62.798 . 1 61 . 8 VAL HA H 3.200 . 1 62 . 8 VAL CB C 28.690 . 1 63 . 8 VAL HB H 1.758 . 1 64 . 8 VAL CG2 C 19.846 . 1 65 . 8 VAL HG2 H 0.871 . 2 66 . 8 VAL CG1 C 17.951 . 1 67 . 8 VAL HG1 H 0.721 . 2 68 . 9 GLY CA C 41.480 . 1 69 . 9 GLY HA3 H 4.279 . 2 70 . 9 GLY HA2 H 3.502 . 2 71 . 10 GLU H H 8.325 . 1 72 . 10 GLU CA C 53.075 . 1 73 . 10 GLU CB C 29.037 . 1 74 . 11 THR H H 8.325 . 1 75 . 11 THR CA C 58.808 . 1 76 . 11 THR HA H 5.175 . 1 77 . 11 THR CB C 69.300 . 1 78 . 11 THR HB H 3.680 . 1 79 . 11 THR CG2 C 19.666 . 1 80 . 11 THR HG2 H 0.922 . 1 81 . 12 LEU H H 9.382 . 1 82 . 12 LEU CA C 50.937 . 1 83 . 12 LEU HA H 4.745 . 1 84 . 12 LEU CB C 42.400 . 1 85 . 12 LEU HB3 H 1.432 . 2 86 . 12 LEU HB2 H 1.395 . 2 87 . 12 LEU CG C 23.113 . 1 88 . 12 LEU HG H 1.511 . 1 89 . 12 LEU CD1 C 23.389 . 1 90 . 12 LEU HD1 H 0.637 . 2 91 . 12 LEU CD2 C 22.263 . 1 92 . 12 LEU HD2 H 0.699 . 2 93 . 13 MET H H 8.913 . 1 94 . 13 MET CA C 51.473 . 1 95 . 13 MET HA H 4.801 . 1 96 . 13 MET CB C 31.488 . 1 97 . 14 ILE H H 8.424 . 1 98 . 14 ILE CA C 57.129 . 1 99 . 14 ILE HA H 4.232 . 1 100 . 14 ILE CB C 35.691 . 1 101 . 14 ILE HB H 1.479 . 1 102 . 14 ILE CG1 C 24.411 . 2 103 . 14 ILE HG13 H 1.466 . 1 104 . 14 ILE HG12 H 1.221 . 1 105 . 14 ILE CD1 C 14.251 . 1 106 . 14 ILE HD1 H 0.601 . 1 107 . 14 ILE CG2 C 10.732 . 1 108 . 14 ILE HG2 H 0.461 . 1 109 . 15 GLY H H 8.807 . 1 110 . 15 GLY CA C 42.894 . 1 111 . 15 GLY HA3 H 3.840 . 2 112 . 16 ASP H H 8.451 . 1 113 . 16 ASP CA C 52.133 . 1 114 . 16 ASP CB C 38.746 . 1 115 . 17 GLU H H 8.294 . 1 116 . 17 GLU CA C 53.735 . 1 117 . 17 GLU HA H 4.445 . 1 118 . 17 GLU CB C 28.942 . 1 119 . 18 VAL H H 7.046 . 1 120 . 18 VAL CA C 58.454 . 1 121 . 18 VAL HA H 54.971 . 1 122 . 18 VAL CB C 30.451 . 1 123 . 18 VAL HB H 2.289 . 1 124 . 18 VAL CG2 C 18.679 . 1 125 . 18 VAL HG2 H 0.838 . 2 126 . 18 VAL CG1 C 18.618 . 1 127 . 18 VAL HG1 H 0.703 . 2 128 . 19 THR H H 8.810 . 1 129 . 19 THR CA C 56.940 . 1 130 . 19 THR HA H 5.086 . 1 131 . 19 THR CB C 68.253 . 1 132 . 19 THR HB H 3.823 . 1 133 . 19 THR CG2 C 18.854 . 1 134 . 19 THR HG2 H 0.943 . 1 135 . 20 VAL H H 8.859 . 1 136 . 20 VAL CA C 57.883 . 1 137 . 20 VAL HA H 4.801 . 1 138 . 20 VAL CB C 31.582 . 1 139 . 20 VAL HB H 1.768 . 1 140 . 20 VAL CG2 C 18.135 . 1 141 . 20 VAL HG2 H 0.582 . 2 142 . 21 THR H H 9.442 . 1 143 . 21 THR CA C 58.449 . 1 144 . 21 THR HA H 4.766 . 1 145 . 21 THR CB C 68.724 . 1 146 . 21 THR HB H 3.431 . 1 147 . 21 THR CG2 C 17.590 . 1 148 . 21 THR HG2 H 0.744 . 1 149 . 22 VAL H H 7.949 . 1 150 . 22 VAL CA C 60.711 . 1 151 . 22 VAL HA H 3.769 . 1 152 . 22 VAL CB C 27.333 . 1 153 . 22 VAL HB H 2.158 . 1 154 . 22 VAL CG2 C 17.315 . 1 155 . 22 VAL HG2 H 0.559 . 2 156 . 22 VAL CG1 C 19.112 . 1 157 . 22 VAL HG1 H 0.607 . 2 158 . 23 LEU H H 8.909 . 1 159 . 23 LEU CA C 52.415 . 1 160 . 23 LEU HA H 4.392 . 1 161 . 23 LEU CB C 39.783 . 1 162 . 23 LEU HB3 H 1.200 . 2 163 . 23 LEU HB2 H 1.315 . 2 164 . 23 LEU CG C 23.496 . 1 165 . 23 LEU HG H 1.497 . 1 166 . 23 LEU CD1 C 23.434 . 1 167 . 23 LEU HD1 H 0.630 . 2 168 . 23 LEU CD2 C 19.133 . 1 169 . 23 LEU HD2 H 0.605 . 2 170 . 24 GLY H H 7.506 . 1 171 . 24 GLY CA C 43.083 . 1 172 . 24 GLY HA3 H 3.965 . 2 173 . 25 VAL H H 8.341 . 1 174 . 25 VAL CA C 58.019 . 1 175 . 25 VAL HA H 4.606 . 1 176 . 25 VAL CB C 32.996 . 1 177 . 25 VAL HB H 1.705 . 1 178 . 25 VAL CG2 C 18.918 . 1 179 . 25 VAL HG2 H 0.676 . 2 180 . 25 VAL CG1 C 17.659 . 1 181 . 25 VAL HG1 H 0.569 . 2 182 . 26 LYS H H 8.507 . 1 183 . 26 LYS CA C 52.792 . 1 184 . 26 LYS HA H 4.321 . 1 185 . 26 LYS CB C 30.922 . 1 186 . 27 GLY H H 9.092 . 1 187 . 27 GLY CA C 44.497 . 1 188 . 27 GLY HA3 H 3.823 . 2 189 . 28 ASN H H 8.311 . 1 190 . 28 ASN CA C 49.210 . 1 191 . 28 ASN HA H 4.534 . 1 192 . 28 ASN CB C 35.353 . 1 193 . 29 GLN H H 8.028 . 1 194 . 29 GLN CA C 52.604 . 1 195 . 29 GLN HA H 4.463 . 1 196 . 29 GLN CB C 28.565 . 1 197 . 29 GLN HB3 H 1.918 . 2 198 . 30 VAL H H 8.646 . 1 199 . 30 VAL CA C 57.600 . 1 200 . 30 VAL HA H 4.623 . 1 201 . 30 VAL CB C 31.110 . 1 202 . 31 ARG H H 8.852 . 1 203 . 31 ARG CA C 52.510 . 1 204 . 31 ARG HA H 4.428 . 1 205 . 31 ARG CB C 28.471 . 1 206 . 32 ILE H H 9.213 . 1 207 . 32 ILE CA C 56.783 . 1 208 . 32 ILE HA H 4.659 . 1 209 . 32 ILE CB C 38.747 . 1 210 . 32 ILE HB H 1.431 . 1 211 . 32 ILE CG1 C 24.685 . 2 212 . 32 ILE HG13 H 1.273 . 1 213 . 32 ILE CD1 C 15.049 . 1 214 . 32 ILE HD1 H 0.563 . 1 215 . 32 ILE CG2 C 9.528 . 1 216 . 32 ILE HG2 H 0.394 . 1 217 . 33 GLY H H 9.105 . 1 218 . 33 GLY CA C 41.427 . 1 219 . 33 GLY HA3 H 3.360 . 2 220 . 34 VAL H H 9.441 . 1 221 . 34 VAL CA C 57.929 . 1 222 . 34 VAL HA H 4.855 . 1 223 . 34 VAL CB C 31.488 . 1 224 . 34 VAL HB H 1.849 . 1 225 . 34 VAL CG2 C 18.222 . 1 226 . 34 VAL HG2 H 0.702 . 2 227 . 34 VAL CG1 C 18.222 . 1 228 . 34 VAL HG1 H 0.643 . 2 229 . 35 ASN H H 8.799 . 1 230 . 35 ASN CA C 49.340 . 1 231 . 35 ASN HA H 5.153 . 1 232 . 35 ASN CB C 37.694 . 1 233 . 35 ASN HB3 H 2.755 . 2 234 . 35 ASN HB2 H 2.452 . 2 235 . 36 ALA H H 8.336 . 1 236 . 36 ALA CA C 46.672 . 1 237 . 36 ALA HA H 5.015 . 1 238 . 36 ALA CB C 17.308 . 1 239 . 36 ALA HB H 1.131 . 1 240 . 37 PRO CA C 59.921 . 1 241 . 37 PRO HA H 3.720 . 1 242 . 37 PRO CB C 28.756 . 1 243 . 37 PRO HB3 H 1.787 . 2 244 . 37 PRO CG C 24.767 . 1 245 . 37 PRO HG2 H 1.857 . 2 246 . 37 PRO CD C 47.475 . 1 247 . 37 PRO HD3 H 3.204 . 2 248 . 37 PRO HD2 H 3.743 . 2 249 . 38 LYS H H 8.332 . 1 250 . 38 LYS CA C 55.621 . 1 251 . 38 LYS CB C 26.303 . 1 252 . 39 GLU H H 8.592 . 1 253 . 39 GLU CA C 54.678 . 1 254 . 39 GLU HA H 4.001 . 1 255 . 39 GLU CB C 25.360 . 1 256 . 40 VAL H H 7.736 . 1 257 . 40 VAL CA C 58.922 . 1 258 . 40 VAL HA H 3.958 . 1 259 . 40 VAL CB C 29.320 . 1 260 . 40 VAL HB H 1.890 . 1 261 . 40 VAL CG2 C 18.117 . 1 262 . 40 VAL HG2 H 0.726 . 2 263 . 41 SER H H 8.359 . 1 264 . 41 SER CA C 55.263 . 1 265 . 41 SER HA H 4.306 . 1 266 . 41 SER CB C 61.088 . 1 267 . 41 SER HB3 H 3.660 . 2 268 . 42 VAL H H 8.156 . 1 269 . 42 VAL CA C 58.200 . 1 270 . 42 VAL HA H 4.500 . 1 271 . 42 VAL CB C 30.134 . 1 272 . 42 VAL HB H 1.819 . 1 273 . 42 VAL CG2 C 18.122 . 1 274 . 42 VAL HG2 H 0.705 . 2 275 . 43 HIS H H 8.558 . 1 276 . 43 HIS CA C 51.096 . 1 277 . 43 HIS CB C 28.660 . 1 278 . 44 ARG H H 8.977 . 1 279 . 44 ARG CA C 54.112 . 1 280 . 44 ARG HA H 4.058 . 1 281 . 44 ARG CB C 27.517 . 1 282 . 44 ARG HB3 H 1.697 . 2 283 . 44 ARG HB2 H 1.647 . 2 284 . 44 ARG CG C 24.178 . 1 285 . 44 ARG HG3 H 1.507 . 2 286 . 44 ARG HG2 H 1.437 . 2 287 . 44 ARG CD C 40.489 . 1 288 . 44 ARG HD3 H 3.044 . 2 289 . 44 ARG HD2 H 3.151 . 2 290 . 45 GLU H H 8.022 . 1 291 . 45 GLU CA C 55.526 . 1 292 . 45 GLU CB C 26.397 . 1 293 . 46 GLU H H 8.020 . 1 294 . 46 GLU HA H 4.099 . 1 295 . 47 ILE H H 7.438 . 1 296 . 47 ILE CA C 58.637 . 1 297 . 47 ILE HA H 4.001 . 1 298 . 47 ILE CB C 35.136 . 1 299 . 47 ILE HB H 1.779 . 1 300 . 47 ILE CG1 C 24.268 . 2 301 . 47 ILE HG13 H 1.344 . 1 302 . 47 ILE HG12 H 1.215 . 1 303 . 47 ILE CD1 C 9.590 . 1 304 . 47 ILE HD1 H 0.665 . 1 305 . 47 ILE CG2 C 14.356 . 1 306 . 47 ILE HG2 H 0.726 . 1 307 . 48 TYR H H 7.846 . 1 308 . 48 TYR CA C 56.280 . 1 309 . 48 TYR HA H 4.208 . 1 310 . 48 TYR CB C 36.013 . 1 311 . 48 TYR HB3 H 2.879 . 2 312 . 48 TYR HB2 H 2.755 . 2 313 . 49 GLN H H 8.089 . 1 314 . 49 GLN CA C 53.547 . 1 315 . 49 GLN HA H 4.054 . 1 316 . 49 GLN CB C 26.209 . 1 317 . 50 ARG H H 7.780 . 1 318 . 50 ARG CA C 54.018 . 1 319 . 50 ARG HA H 4.036 . 1 320 . 50 ARG CB C 27.434 . 1 321 . 51 ILE H H 7.902 . 1 322 . 51 ILE CA C 58.917 . 1 323 . 51 ILE HA H 3.890 . 1 324 . 51 ILE CB C 35.447 . 1 325 . 51 ILE HB H 1.678 . 1 326 . 51 ILE CG1 C 24.629 . 2 327 . 51 ILE HG13 H 1.352 . 1 328 . 51 ILE CD1 C 9.582 . 1 329 . 51 ILE HD1 H 0.610 . 1 330 . 51 ILE CG2 C 14.337 . 1 331 . 51 ILE HG2 H 0.701 . 1 332 . 52 GLN H H 8.107 . 1 333 . 52 GLN CA C 53.358 . 1 334 . 52 GLN HA H 4.036 . 1 335 . 52 GLN CB C 26.020 . 1 336 . 53 ALA H H 8.001 . 1 337 . 53 ALA CA C 50.098 . 1 338 . 53 ALA HA H 4.121 . 1 339 . 53 ALA CB C 15.933 . 1 340 . 53 ALA HB H 1.242 . 1 341 . 54 GLU H H 8.067 . 1 342 . 54 GLU CA C 53.924 . 1 343 . 54 GLU HA H 4.090 . 1 344 . 54 GLU CB C 26.492 . 1 345 . 55 LYS H H 8.068 . 1 346 . 55 LYS CA C 53.829 . 1 347 . 55 LYS HA H 4.125 . 1 348 . 55 LYS CB C 29.602 . 1 349 . 56 SER CA C 55.715 . 1 350 . 56 SER CB C 60.711 . 1 351 . 57 GLN CA C 53.170 . 1 352 . 57 GLN CB C 26.114 . 1 353 . 58 GLN H H 8.156 . 1 354 . 58 GLN CA C 53.075 . 1 355 . 58 GLN HA H 4.196 . 1 356 . 58 GLN CB C 26.114 . 1 357 . 59 SER H H 8.166 . 1 358 . 59 SER CA C 55.243 . 1 359 . 59 SER HA H 4.214 . 1 360 . 59 SER CB C 61.031 . 1 361 . 59 SER HB3 H 3.661 . 2 362 . 59 SER HB2 H 3.590 . 2 363 . 60 SER H H 8.166 . 1 364 . 60 SER CA C 55.402 . 1 365 . 60 SER HA H 4.281 . 1 366 . 60 SER CB C 60.994 . 1 367 . 60 SER HB3 H 3.754 . 2 368 . 61 TYR H H 7.616 . 1 369 . 61 TYR CA C 56.280 . 1 370 . 61 TYR HA H 4.285 . 1 371 . 61 TYR CB C 36.390 . 1 stop_ save_