data_15742 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CsmA ; _BMRB_accession_number 15742 _BMRB_flat_file_name bmr15742.str _Entry_type original _Submission_date 2008-04-23 _Accession_date 2008-04-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution NMR structure of CsmA purified from 15-N labeled Chlorobium tepidum cells' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pedersen Marie . . 2 Dittmer Jens . . 3 Underhaug Jarl . . 4 Miller Mette . . 5 Nielsen Niels C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 309 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2008-12-16 update BMRB 'complete entry citation' 2008-07-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The three-dimensional structure of CsmA: A small antenna protein from the green sulfur bacterium Chlorobium tepidum' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18652828 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pedersen Marie O. . 2 Underhaug Jarl . . 3 Dittmer Jens . . 4 Miller Mette . . 5 Nielsen Niels C. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 582 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2869 _Page_last 2874 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CsmA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CsmA $CsmA stop_ _System_molecular_weight 6160.066 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CsmA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CsmA _Molecular_mass 6160.066 _Mol_thiol_state 'not present' loop_ _Biological_function 'antenna protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; MSGGGVFTDILAAAGRIFEV MVEGHWETVGMLFDSLGKGT MRINRNAYGSMGGGSLRGS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLY 4 GLY 5 GLY 6 VAL 7 PHE 8 THR 9 ASP 10 ILE 11 LEU 12 ALA 13 ALA 14 ALA 15 GLY 16 ARG 17 ILE 18 PHE 19 GLU 20 VAL 21 MET 22 VAL 23 GLU 24 GLY 25 HIS 26 TRP 27 GLU 28 THR 29 VAL 30 GLY 31 MET 32 LEU 33 PHE 34 ASP 35 SER 36 LEU 37 GLY 38 LYS 39 GLY 40 THR 41 MET 42 ARG 43 ILE 44 ASN 45 ARG 46 ASN 47 ALA 48 TYR 49 GLY 50 SER 51 MET 52 GLY 53 GLY 54 GLY 55 SER 56 LEU 57 ARG 58 GLY 59 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2K37 Csma 100.00 59 100.00 100.00 4.95e-32 GB AAA18792 "CsmA [Chlorobaculum tepidum]" 100.00 79 100.00 100.00 1.52e-32 GB AAA18796 "CsmA [Prosthecochloris vibrioformis]" 100.00 79 100.00 100.00 1.52e-32 GB AAM73161 "chlorosome envelope protein A [Chlorobium tepidum TLS]" 100.00 79 100.00 100.00 1.52e-32 GB ABB23153 "chlorosome envelope protein A [Chlorobium luteolum DSM 273]" 101.69 80 98.33 98.33 8.28e-31 GB ABB27497 "chlorosome envelope protein A [Chlorobium chlorochromatii CaD3]" 101.69 80 98.33 98.33 8.28e-31 PRF 1414247A "BChlc/e binding protein" 101.69 60 98.33 98.33 3.41e-30 PRF 1701481A "bacteriochlorophyll d binding protein" 100.00 59 100.00 100.00 4.95e-32 PRF 2115394C "chlorosome protein" 100.00 79 100.00 100.00 1.52e-32 PRF 2115394G "chlorosome protein" 100.00 79 100.00 100.00 1.52e-32 REF NP_662819 "chlorosome envelope protein A [Chlorobium tepidum TLS]" 100.00 79 100.00 100.00 1.52e-32 REF WP_006366302 "bacteriochlorophyll c-binding protein [Chlorobium ferrooxidans]" 100.00 80 98.31 98.31 4.26e-30 REF WP_010933599 "MULTISPECIES: bacteriochlorophyll c-binding protein [Chlorobaculum]" 100.00 79 100.00 100.00 1.52e-32 REF WP_011357028 "MULTISPECIES: bacteriochlorophyll c-binding protein [Chlorobium/Pelodictyon group]" 101.69 80 98.33 98.33 8.28e-31 SP P0A314 "RecName: Full=Bacteriochlorophyll c-binding protein; Short=BChl c-binding; AltName: Full=Chlorosome protein A; Flags: Precursor" 100.00 79 100.00 100.00 1.52e-32 SP P0A315 "RecName: Full=Bacteriochlorophyll c-binding protein; Short=BChl c-binding; AltName: Full=Chlorosome protein A; Flags: Precursor" 100.00 79 100.00 100.00 1.52e-32 SP P15524 "RecName: Full=Bacteriochlorophyll c-binding protein; Short=BChl c-binding; AltName: Full=Chlorosome protein A, partial [Chlorob" 81.36 48 100.00 100.00 4.59e-25 SP P15527 "RecName: Full=Bacteriochlorophyll c-binding protein; Short=BChl c-binding; AltName: Full=Chlorosome protein A" 101.69 60 98.33 98.33 3.41e-30 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $CsmA 'Chlorobium tepidum' 1097 Bacteria . Chlorobium tepidum csmA 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 $CsmA 'purified from the natural source' . Chlorobium tepidum . . 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 $CsmA 1.4 mM '[U-100% 15N]' 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' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_TOCSY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TOCSY-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50% Methanol / 50% chloroform' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH . . 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 TMS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 TMS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D NOESY-HSQC' '3D TOCSY-HSQC' 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 CsmA _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 1 MET HA H 4.075 0.001 1 2 1 1 MET HB2 H 2.168 0.002 2 3 1 1 MET HB3 H 2.109 0.004 2 4 1 1 MET HE H 1.004 0.000 1 5 1 1 MET HG2 H 2.619 0.003 2 6 1 1 MET HG3 H 2.619 0.003 2 7 2 2 SER H H 8.739 0.002 1 8 2 2 SER HA H 4.503 0.001 1 9 2 2 SER HB2 H 4.010 0.001 2 10 2 2 SER HB3 H 3.905 0.001 2 11 2 2 SER N N 116.858 0.003 1 12 3 3 GLY H H 8.847 0.002 1 13 3 3 GLY HA2 H 3.952 0.000 2 14 3 3 GLY HA3 H 3.889 0.000 2 15 3 3 GLY N N 109.347 0.003 1 16 4 4 GLY H H 8.506 0.001 1 17 4 4 GLY HA2 H 3.950 0.004 2 18 4 4 GLY HA3 H 3.894 0.006 2 19 4 4 GLY N N 106.797 0.003 1 20 5 5 GLY H H 8.385 0.001 1 21 5 5 GLY HA2 H 3.888 0.001 2 22 5 5 GLY HA3 H 3.888 0.001 2 23 5 5 GLY N N 109.554 0.003 1 24 6 6 VAL H H 7.972 0.001 1 25 6 6 VAL HA H 3.752 0.002 1 26 6 6 VAL HB H 2.066 0.002 1 27 6 6 VAL HG1 H 1.003 0.001 2 28 6 6 VAL HG2 H 0.868 0.002 2 29 6 6 VAL N N 120.821 0.003 1 30 7 7 PHE H H 7.978 0.002 1 31 7 7 PHE HA H 4.287 0.002 1 32 7 7 PHE HB2 H 3.209 0.003 2 33 7 7 PHE HB3 H 3.209 0.003 2 34 7 7 PHE HD1 H 7.243 0.003 3 35 7 7 PHE HD2 H 7.243 0.003 3 36 7 7 PHE HZ H 6.525 0.000 1 37 7 7 PHE N N 117.926 0.003 1 38 8 8 THR H H 7.871 0.002 1 39 8 8 THR HA H 4.295 0.003 1 40 8 8 THR HB H 3.788 0.001 1 41 8 8 THR HG2 H 1.287 0.001 1 42 8 8 THR N N 113.783 0.003 1 43 9 9 ASP H H 8.020 0.001 1 44 9 9 ASP HA H 4.404 0.002 1 45 9 9 ASP HB2 H 2.795 0.004 2 46 9 9 ASP HB3 H 3.170 0.003 2 47 9 9 ASP N N 120.056 0.003 1 48 10 10 ILE H H 8.106 0.002 1 49 10 10 ILE HA H 3.691 0.002 1 50 10 10 ILE HB H 1.988 0.003 1 51 10 10 ILE HD1 H 0.863 0.003 1 52 10 10 ILE HG12 H 1.882 0.001 2 53 10 10 ILE HG13 H 1.127 0.004 2 54 10 10 ILE HG2 H 0.944 0.003 1 55 10 10 ILE N N 120.413 0.003 1 56 11 11 LEU H H 7.970 0.001 1 57 11 11 LEU HA H 3.977 0.006 1 58 11 11 LEU HB2 H 1.747 0.001 2 59 11 11 LEU HB3 H 1.654 0.006 2 60 11 11 LEU HD1 H 0.828 0.002 2 61 11 11 LEU HD2 H 0.804 0.003 2 62 11 11 LEU HG H 1.553 0.003 1 63 11 11 LEU N N 119.889 0.003 1 64 12 12 ALA H H 8.492 0.002 1 65 12 12 ALA HA H 4.091 0.003 1 66 12 12 ALA HB H 1.535 0.002 1 67 12 12 ALA N N 120.843 0.003 1 68 13 13 ALA H H 8.150 0.001 1 69 13 13 ALA HA H 4.044 0.001 1 70 13 13 ALA HB H 1.571 0.003 1 71 13 13 ALA N N 120.771 0.003 1 72 14 14 ALA H H 8.595 0.002 1 73 14 14 ALA HA H 4.042 0.002 1 74 14 14 ALA HB H 1.555 0.004 1 75 14 14 ALA N N 119.961 0.003 1 76 15 15 GLY H H 8.561 0.001 1 77 15 15 GLY HA2 H 3.910 0.003 2 78 15 15 GLY HA3 H 3.849 0.001 2 79 15 15 GLY N N 104.854 0.003 1 80 16 16 ARG H H 8.102 0.002 1 81 16 16 ARG HA H 4.181 0.006 1 82 16 16 ARG HB2 H 2.073 0.003 2 83 16 16 ARG HB3 H 1.801 0.003 2 84 16 16 ARG HD2 H 3.302 0.002 2 85 16 16 ARG HD3 H 3.226 0.003 2 86 16 16 ARG HE H 7.408 0.002 1 87 16 16 ARG N N 121.532 0.003 1 88 16 16 ARG NE N 83.272 0.000 1 89 17 17 ILE H H 8.247 0.002 1 90 17 17 ILE HA H 3.633 0.002 1 91 17 17 ILE HB H 2.052 0.007 1 92 17 17 ILE HD1 H 0.873 0.003 1 93 17 17 ILE HG12 H 1.860 0.006 2 94 17 17 ILE HG13 H 1.165 0.003 2 95 17 17 ILE HG2 H 0.991 0.002 1 96 17 17 ILE N N 119.201 0.003 1 97 18 18 PHE H H 8.398 0.002 1 98 18 18 PHE HA H 4.218 0.002 1 99 18 18 PHE HB2 H 3.359 0.002 2 100 18 18 PHE HB3 H 3.282 0.004 2 101 18 18 PHE HD1 H 7.205 0.002 3 102 18 18 PHE HD2 H 7.205 0.002 3 103 18 18 PHE HE1 H 7.147 0.002 3 104 18 18 PHE HE2 H 7.147 0.002 3 105 18 18 PHE N N 119.810 0.003 1 106 19 19 GLU H H 8.311 0.001 1 107 19 19 GLU HA H 3.827 0.003 1 108 19 19 GLU HB2 H 2.479 0.002 2 109 19 19 GLU HB3 H 2.197 0.003 2 110 19 19 GLU HG2 H 2.854 0.005 2 111 19 19 GLU HG3 H 2.854 0.005 2 112 19 19 GLU N N 116.913 0.003 1 113 20 20 VAL H H 8.188 0.001 1 114 20 20 VAL HA H 3.642 0.004 1 115 20 20 VAL HB H 2.292 0.002 1 116 20 20 VAL HG1 H 1.117 0.002 2 117 20 20 VAL HG2 H 0.996 0.002 2 118 20 20 VAL N N 118.839 0.003 1 119 21 21 MET H H 8.366 0.001 1 120 21 21 MET HA H 4.100 0.005 1 121 21 21 MET HB2 H 2.287 0.002 2 122 21 21 MET HB3 H 1.997 0.003 2 123 21 21 MET HG2 H 2.787 0.002 2 124 21 21 MET HG3 H 2.490 0.003 2 125 21 21 MET N N 119.506 0.003 1 126 22 22 VAL H H 8.401 0.002 1 127 22 22 VAL HA H 3.437 0.001 1 128 22 22 VAL HB H 2.005 0.003 1 129 22 22 VAL HG1 H 0.882 0.002 2 130 22 22 VAL HG2 H 0.584 0.001 2 131 22 22 VAL N N 120.943 0.003 1 132 23 23 GLU H H 8.529 0.001 1 133 23 23 GLU HA H 4.123 0.007 1 134 23 23 GLU HB2 H 2.312 0.002 2 135 23 23 GLU HB3 H 2.190 0.002 2 136 23 23 GLU HG2 H 2.668 0.003 2 137 23 23 GLU HG3 H 2.465 0.005 2 138 23 23 GLU N N 119.294 0.003 1 139 24 24 GLY H H 9.007 0.001 1 140 24 24 GLY HA2 H 3.883 0.001 2 141 24 24 GLY HA3 H 3.946 0.004 2 142 24 24 GLY N N 106.427 0.003 1 143 25 25 HIS H H 8.426 0.002 1 144 25 25 HIS HA H 4.277 0.004 1 145 25 25 HIS HB2 H 3.436 0.002 2 146 25 25 HIS HB3 H 3.279 0.005 2 147 25 25 HIS HD2 H 6.317 0.001 1 148 25 25 HIS HE1 H 8.522 0.003 1 149 25 25 HIS N N 121.686 0.003 1 150 26 26 TRP H H 8.346 0.002 1 151 26 26 TRP HA H 4.356 0.001 1 152 26 26 TRP HB2 H 3.429 0.003 2 153 26 26 TRP HB3 H 3.329 0.001 2 154 26 26 TRP HD1 H 7.267 0.001 1 155 26 26 TRP HE1 H 10.215 0.002 1 156 26 26 TRP HE3 H 7.567 0.003 1 157 26 26 TRP HH2 H 7.173 0.002 1 158 26 26 TRP HZ2 H 7.416 0.002 1 159 26 26 TRP HZ3 H 7.070 0.001 1 160 26 26 TRP N N 120.264 0.003 1 161 27 27 GLU H H 8.899 0.001 1 162 27 27 GLU HA H 4.084 0.002 1 163 27 27 GLU HB2 H 2.178 0.002 2 164 27 27 GLU HB3 H 2.352 0.006 2 165 27 27 GLU HG2 H 2.461 0.006 2 166 27 27 GLU HG3 H 2.688 0.005 2 167 27 27 GLU N N 118.741 0.003 1 168 28 28 THR H H 7.927 0.002 1 169 28 28 THR HA H 4.298 0.002 1 170 28 28 THR HB H 3.885 0.002 1 171 28 28 THR HG2 H 1.218 0.001 1 172 28 28 THR N N 115.172 0.003 1 173 29 29 VAL H H 7.889 0.006 1 174 29 29 VAL HA H 3.493 0.001 1 175 29 29 VAL HB H 2.121 0.002 1 176 29 29 VAL HG1 H 0.737 0.001 2 177 29 29 VAL HG2 H 0.907 0.003 2 178 29 29 VAL N N 121.045 0.003 1 179 30 30 GLY H H 8.443 0.002 1 180 30 30 GLY HA2 H 3.833 0.002 2 181 30 30 GLY HA3 H 3.797 0.006 2 182 30 30 GLY N N 106.495 0.003 1 183 31 31 MET H H 8.355 0.002 1 184 31 31 MET HA H 4.246 0.003 1 185 31 31 MET HB2 H 2.335 0.004 2 186 31 31 MET HB3 H 2.185 0.002 2 187 31 31 MET HG2 H 2.612 0.003 2 188 31 31 MET HG3 H 2.774 0.002 2 189 31 31 MET N N 120.733 0.003 1 190 32 32 LEU H H 8.353 0.001 1 191 32 32 LEU HA H 4.092 0.003 1 192 32 32 LEU HB2 H 1.882 0.001 2 193 32 32 LEU HB3 H 1.882 0.001 2 194 32 32 LEU HD1 H 0.894 0.002 2 195 32 32 LEU HD2 H 0.894 0.002 2 196 32 32 LEU HG H 1.743 0.005 1 197 32 32 LEU N N 122.587 0.003 1 198 33 33 PHE H H 8.723 0.001 1 199 33 33 PHE HA H 4.198 0.002 1 200 33 33 PHE HB2 H 3.238 0.008 2 201 33 33 PHE HB3 H 3.238 0.008 2 202 33 33 PHE HD1 H 7.291 0.002 3 203 33 33 PHE HD2 H 7.291 0.002 3 204 33 33 PHE N N 119.435 0.003 1 205 34 34 ASP H H 8.824 0.001 1 206 34 34 ASP HA H 4.475 0.002 1 207 34 34 ASP HB2 H 3.120 0.003 2 208 34 34 ASP HB3 H 2.875 0.012 2 209 34 34 ASP N N 117.868 0.003 1 210 35 35 SER H H 8.311 0.002 1 211 35 35 SER HA H 4.149 0.002 1 212 35 35 SER HB2 H 3.970 0.001 2 213 35 35 SER HB3 H 3.970 0.001 2 214 35 35 SER N N 115.581 0.003 1 215 36 36 LEU H H 8.397 0.001 1 216 36 36 LEU HA H 4.164 0.002 1 217 36 36 LEU HB2 H 1.839 0.003 2 218 36 36 LEU HB3 H 1.839 0.003 2 219 36 36 LEU HD1 H 0.890 0.003 2 220 36 36 LEU HD2 H 0.890 0.003 2 221 36 36 LEU HG H 1.600 0.003 1 222 36 36 LEU N N 122.970 0.003 1 223 37 37 GLY H H 8.658 0.003 1 224 37 37 GLY HA2 H 3.794 0.002 2 225 37 37 GLY HA3 H 3.794 0.002 2 226 37 37 GLY N N 109.305 0.003 1 227 38 38 LYS H H 8.338 0.002 1 228 38 38 LYS HA H 4.003 0.002 1 229 38 38 LYS HB2 H 1.955 0.004 2 230 38 38 LYS HB3 H 1.840 0.004 2 231 38 38 LYS HD2 H 1.670 0.003 2 232 38 38 LYS HD3 H 1.670 0.003 2 233 38 38 LYS HE2 H 2.898 0.003 2 234 38 38 LYS HE3 H 2.898 0.003 2 235 38 38 LYS HG2 H 1.431 0.002 2 236 38 38 LYS HG3 H 1.431 0.002 2 237 38 38 LYS N N 121.644 0.003 1 238 39 39 GLY H H 8.525 0.006 1 239 39 39 GLY HA2 H 3.862 0.006 2 240 39 39 GLY HA3 H 3.789 0.005 2 241 39 39 GLY N N 106.016 0.003 1 242 40 40 THR H H 8.171 0.001 1 243 40 40 THR HA H 4.313 0.004 1 244 40 40 THR HB H 3.859 0.001 1 245 40 40 THR HG2 H 1.250 0.002 1 246 40 40 THR N N 117.245 0.003 1 247 41 41 MET H H 8.097 0.001 1 248 41 41 MET HA H 4.167 0.002 1 249 41 41 MET HB2 H 2.289 0.003 2 250 41 41 MET HB3 H 2.117 0.005 2 251 41 41 MET HG2 H 2.726 0.004 2 252 41 41 MET HG3 H 2.569 0.004 2 253 41 41 MET N N 120.857 0.003 1 254 42 42 ARG H H 8.193 0.003 1 255 42 42 ARG HA H 3.924 0.003 1 256 42 42 ARG HB2 H 2.011 0.002 2 257 42 42 ARG HB3 H 1.778 0.003 2 258 42 42 ARG HD2 H 3.209 0.002 2 259 42 42 ARG HD3 H 3.209 0.002 2 260 42 42 ARG HE H 7.713 0.002 1 261 42 42 ARG HG2 H 1.669 0.003 2 262 42 42 ARG HG3 H 1.669 0.003 2 263 42 42 ARG N N 119.314 0.003 1 264 42 42 ARG NE N 83.897 0.000 1 265 43 43 ILE H H 8.166 0.002 1 266 43 43 ILE HA H 3.718 0.002 1 267 43 43 ILE HB H 1.974 0.002 1 268 43 43 ILE HD1 H 0.865 0.001 1 269 43 43 ILE HG12 H 1.792 0.002 2 270 43 43 ILE HG13 H 1.182 0.001 2 271 43 43 ILE HG2 H 0.958 0.003 1 272 43 43 ILE N N 119.185 0.003 1 273 44 44 ASN H H 8.151 0.002 1 274 44 44 ASN HA H 4.457 0.003 1 275 44 44 ASN HB2 H 2.901 0.002 2 276 44 44 ASN HB3 H 2.694 0.003 2 277 44 44 ASN HD21 H 7.306 0.003 2 278 44 44 ASN HD22 H 6.579 0.002 2 279 44 44 ASN N N 118.343 0.003 1 280 44 44 ASN ND2 N 107.605 0.000 1 281 45 45 ARG H H 8.550 0.001 1 282 45 45 ARG HA H 4.049 0.002 1 283 45 45 ARG HB2 H 2.007 0.005 2 284 45 45 ARG HB3 H 1.879 0.003 2 285 45 45 ARG HD2 H 3.229 0.001 2 286 45 45 ARG HD3 H 3.165 0.002 2 287 45 45 ARG HE H 7.343 0.001 1 288 45 45 ARG HG2 H 1.700 0.003 2 289 45 45 ARG HG3 H 1.700 0.003 2 290 45 45 ARG N N 119.370 0.003 1 291 45 45 ARG NE N 83.159 0.000 1 292 46 46 ASN H H 8.363 0.001 1 293 46 46 ASN HA H 4.506 0.002 1 294 46 46 ASN HB2 H 2.996 0.002 2 295 46 46 ASN HB3 H 2.748 0.003 2 296 46 46 ASN HD21 H 7.545 0.001 2 297 46 46 ASN HD22 H 6.770 0.002 2 298 46 46 ASN N N 118.424 0.003 1 299 46 46 ASN ND2 N 107.543 0.002 1 300 47 47 ALA H H 8.645 0.002 1 301 47 47 ALA HA H 4.089 0.002 1 302 47 47 ALA HB H 1.505 0.002 1 303 47 47 ALA N N 124.193 0.003 1 304 48 48 TYR H H 8.360 0.002 1 305 48 48 TYR HA H 4.212 0.001 1 306 48 48 TYR HB2 H 3.107 0.002 2 307 48 48 TYR HB3 H 2.996 0.001 2 308 48 48 TYR HD1 H 7.096 0.002 3 309 48 48 TYR HD2 H 7.096 0.002 3 310 48 48 TYR HE1 H 6.717 0.003 3 311 48 48 TYR HE2 H 6.717 0.003 3 312 48 48 TYR N N 117.771 0.003 1 313 49 49 GLY H H 8.614 0.001 1 314 49 49 GLY HA2 H 3.860 0.002 2 315 49 49 GLY HA3 H 3.860 0.002 2 316 49 49 GLY N N 105.737 0.003 1 317 50 50 SER H H 8.109 0.002 1 318 50 50 SER HA H 4.304 0.001 1 319 50 50 SER HB2 H 4.040 0.002 2 320 50 50 SER HB3 H 3.950 0.002 2 321 50 50 SER N N 116.031 0.003 1 322 51 51 MET H H 7.911 0.001 1 323 51 51 MET HA H 4.380 0.000 1 324 51 51 MET HB2 H 2.158 0.003 2 325 51 51 MET HB3 H 2.046 0.001 2 326 51 51 MET HG2 H 2.702 0.003 2 327 51 51 MET HG3 H 2.552 0.001 2 328 51 51 MET N N 119.528 0.003 1 329 52 52 GLY H H 8.235 0.002 1 330 52 52 GLY HA2 H 3.863 0.003 2 331 52 52 GLY HA3 H 3.863 0.003 2 332 52 52 GLY N N 106.413 0.003 1 333 53 53 GLY H H 8.239 0.001 1 334 53 53 GLY HA2 H 3.706 0.004 2 335 53 53 GLY HA3 H 3.706 0.004 2 336 53 53 GLY N N 107.655 0.003 1 337 54 54 GLY H H 8.200 0.001 1 338 54 54 GLY HA2 H 3.889 0.000 2 339 54 54 GLY HA3 H 3.828 0.002 2 340 54 54 GLY N N 107.173 0.003 1 341 55 55 SER H H 7.995 0.002 1 342 55 55 SER HA H 4.300 0.003 1 343 55 55 SER HB2 H 3.958 0.002 2 344 55 55 SER HB3 H 3.886 0.001 2 345 55 55 SER N N 115.203 0.003 1 346 56 56 LEU H H 7.827 0.001 1 347 56 56 LEU HA H 4.297 0.001 1 348 56 56 LEU HB2 H 1.756 0.006 2 349 56 56 LEU HB3 H 1.756 0.006 2 350 56 56 LEU HD1 H 0.942 0.003 2 351 56 56 LEU HD2 H 0.899 0.003 2 352 56 56 LEU HG H 1.636 0.002 1 353 56 56 LEU N N 120.264 0.003 1 354 57 57 ARG H H 7.792 0.001 1 355 57 57 ARG HA H 4.290 0.003 1 356 57 57 ARG HB2 H 1.933 0.004 2 357 57 57 ARG HB3 H 1.831 0.002 2 358 57 57 ARG HD2 H 3.186 0.005 2 359 57 57 ARG HD3 H 3.186 0.005 2 360 57 57 ARG HE H 7.312 0.002 1 361 57 57 ARG HG2 H 1.694 0.000 2 362 57 57 ARG HG3 H 1.653 0.005 2 363 57 57 ARG N N 116.558 0.003 1 364 57 57 ARG NE N 83.591 0.000 1 365 58 58 GLY H H 8.062 0.001 1 366 58 58 GLY HA2 H 3.972 0.000 2 367 58 58 GLY HA3 H 3.941 0.000 2 368 58 58 GLY N N 106.017 0.003 1 369 59 59 SER H H 7.738 0.001 1 370 59 59 SER HA H 4.531 0.001 1 371 59 59 SER HB2 H 3.959 0.001 2 372 59 59 SER HB3 H 3.876 0.001 2 373 59 59 SER N N 113.180 0.003 1 stop_ save_