data_15087 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE PABC DOMAIN FROM TRITICUM AEVESTIUM POLY(A)-BINDING PROTEIN ; _BMRB_accession_number 15087 _BMRB_flat_file_name bmr15087.str _Entry_type original _Submission_date 2006-12-28 _Accession_date 2006-12-28 _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 Siddiqui Nadeem . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 325 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2007-03-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the PABC domain from wheat poly (A)-binding protein: an insight into RNA metabolic and translational control in plants. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17358048 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Siddiqui Nadeem . . 2 Osborne Michael J. . 3 Gallie Daniel R. . 4 Gehring Kalle . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 46 _Journal_issue 14 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4221 _Page_last 4231 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PABC monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PABC $Poly(A)-binding_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Poly(A)-binding_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Poly(A)-binding_protein _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'peptide binding domain' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; GPLGSPIGALASALANSPPE TQRMMLGENLYPLVDQLEHD QAAKVTGMLLEMDQTEVLHL LESPDALKAKVAEAMEVLRS AQQHT ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 PRO 7 ILE 8 GLY 9 ALA 10 LEU 11 ALA 12 SER 13 ALA 14 LEU 15 ALA 16 ASN 17 SER 18 PRO 19 PRO 20 GLU 21 THR 22 GLN 23 ARG 24 MET 25 MET 26 LEU 27 GLY 28 GLU 29 ASN 30 LEU 31 TYR 32 PRO 33 LEU 34 VAL 35 ASP 36 GLN 37 LEU 38 GLU 39 HIS 40 ASP 41 GLN 42 ALA 43 ALA 44 LYS 45 VAL 46 THR 47 GLY 48 MET 49 LEU 50 LEU 51 GLU 52 MET 53 ASP 54 GLN 55 THR 56 GLU 57 VAL 58 LEU 59 HIS 60 LEU 61 LEU 62 GLU 63 SER 64 PRO 65 ASP 66 ALA 67 LEU 68 LYS 69 ALA 70 LYS 71 VAL 72 ALA 73 GLU 74 ALA 75 MET 76 GLU 77 VAL 78 LEU 79 ARG 80 SER 81 ALA 82 GLN 83 GLN 84 HIS 85 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 2DYD "Solution Structure Of The Pabc Domain From Triticum Aevestium Poly(A)-Binding Protein" 100.00 85 100.00 100.00 6.70e-52 DBJ BAJ96406 "predicted protein [Hordeum vulgare subsp. vulgare]" 94.12 744 98.75 98.75 7.02e-44 GB AAB38974 "poly(A)-binding protein [Triticum aestivum]" 94.12 651 100.00 100.00 2.07e-44 GB EMS55649 "Polyadenylate-binding protein 2 [Triticum urartu]" 94.12 625 100.00 100.00 2.25e-44 GB EMT14398 "Polyadenylate-binding protein 2 [Aegilops tauschii]" 94.12 573 100.00 100.00 2.19e-44 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 $Poly(A)-binding_protein Wheat 4565 Eukaryota Viridiplantae Triticum aestivum PABP stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $Poly(A)-binding_protein 'recombinant technology' bacteria Escherichia coli 'BL21 Gold' Plasmid pGEX-6P1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1-2mM protein, 15N labeled, 50mM phosphate buffer, 150mM NaCl, 1mM NaN3; 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Poly(A)-binding_protein . mM 1 2 [U-15N] 'phosphate buffer' 50 mM . . . NaCl 150 mM . . . NaN3 1 mM . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1-2mM protein, 15N/13C labeled, 50mM phosphate buffer, 150mM NaCl, 1mM NaN3; 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Poly(A)-binding_protein . mM 1 2 '[U-100% 13C; U-100% 15N]' 'phosphate buffer' 50 mM . . . NaCl 150 mM . . . NaN3 1 mM . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1-2mM protein, 50mM phosphate buffer, 150mM NaCl, 1mM NaN3; 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Poly(A)-binding_protein . mM 1 2 none 'phosphate buffer' 50 mM . . . NaCl 150 mM . . . NaN3 1 mM . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '1-2mM protein, 50mM phosphate buffer, 150mM NaCl, 1mM; 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling 'Poly(A)-binding protein' . mM 1 2 '[U-100% 13C; U-100% 15N]' 'phosphate buffer' 50 mM . . . NaCl 150 mM . . . NaN3 1 mM . . . D2O 100 % . . . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'A Brunger, P Adams, M Clore, P Gros, M Nilges and R Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_3 save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_3 save_ save_2D_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_4 save_ save_3D_15N-separated_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_2 save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.3 . pH pressure 1 . atm temperature 303 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label TMS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.0 $citations $citations 'liquid anhydrous ammonia' N 15 nitrogen ppm 0.00 external direct . . . 1.0 $citations $citations 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 NOESY' '2D TOCSY' 3D_15N-separated_NOESY stop_ loop_ _Sample_label $sample_3 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PABC _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.480 0.000 . 2 2 2 PRO HB2 H 2.417 0.000 . 3 2 2 PRO HG2 H 2.045 0.000 . 4 3 3 LEU H H 8.460 0.007 . 5 3 3 LEU HA H 4.384 0.000 . 6 3 3 LEU HB2 H 1.730 0.000 . 7 3 3 LEU HB3 H 1.660 0.000 . 8 3 3 LEU HG H 0.939 0.000 . 9 3 3 LEU N N 121.667 0.048 . 10 4 4 GLY H H 8.372 0.004 . 11 4 4 GLY HA2 H 3.976 0.000 . 12 4 4 GLY N N 109.498 0.000 . 13 5 5 SER H H 8.117 0.009 . 14 5 5 SER HA H 4.764 0.000 . 15 5 5 SER HB2 H 3.958 0.000 . 16 5 5 SER N N 116.341 0.009 . 17 6 6 PRO HA H 4.540 0.000 . 18 6 6 PRO HB2 H 2.440 0.000 . 19 6 6 PRO HG2 H 2.059 0.000 . 20 6 6 PRO HD2 H 3.707 0.000 . 21 7 7 ILE H H 8.156 0.010 . 22 7 7 ILE HA H 4.146 0.000 . 23 7 7 ILE HB H 2.022 0.000 . 24 7 7 ILE HG12 H 1.460 0.000 . 25 7 7 ILE HG13 H 1.366 0.000 . 26 7 7 ILE HG2 H 0.960 0.000 . 27 7 7 ILE N N 118.992 0.030 . 28 8 8 GLY H H 8.243 0.015 . 29 8 8 GLY HA2 H 3.930 0.000 . 30 8 8 GLY N N 110.623 0.000 . 31 9 9 ALA H H 8.005 0.002 . 32 9 9 ALA HA H 4.250 0.000 . 33 9 9 ALA HB H 1.480 0.000 . 34 9 9 ALA N N 123.420 0.034 . 35 10 10 LEU H H 7.873 0.003 . 36 10 10 LEU HA H 4.199 0.000 . 37 10 10 LEU HB2 H 1.765 0.000 . 38 10 10 LEU HB3 H 1.503 0.000 . 39 10 10 LEU HD1 H 0.857 0.000 . 40 10 10 LEU N N 121.172 0.040 . 41 11 11 ALA H H 8.482 0.003 . 42 11 11 ALA HA H 3.954 0.000 . 43 11 11 ALA HB H 1.492 0.000 . 44 11 11 ALA N N 120.071 0.029 . 45 12 12 SER H H 7.883 0.006 . 46 12 12 SER HA H 4.250 0.000 . 47 12 12 SER HB2 H 3.937 0.000 . 48 12 12 SER N N 112.843 0.026 . 49 13 13 ALA H H 7.779 0.010 . 50 13 13 ALA HA H 4.219 0.000 . 51 13 13 ALA HB H 1.512 0.000 . 52 13 13 ALA N N 123.837 0.001 . 53 14 14 LEU H H 8.449 0.003 . 54 14 14 LEU HA H 3.958 0.000 . 55 14 14 LEU HB2 H 1.928 0.000 . 56 14 14 LEU HG H 1.522 0.000 . 57 14 14 LEU HD1 H 0.887 0.000 . 58 14 14 LEU N N 118.717 0.000 . 59 15 15 ALA H H 7.350 0.003 . 60 15 15 ALA HA H 4.146 0.000 . 61 15 15 ALA HB H 1.512 0.000 . 62 15 15 ALA N N 118.554 0.004 . 63 16 16 ASN H H 7.606 0.013 . 64 16 16 ASN HA H 4.781 0.000 . 65 16 16 ASN HB2 H 3.021 0.000 . 66 16 16 ASN HB3 H 2.719 0.000 . 67 16 16 ASN N N 113.942 0.028 . 68 17 17 SER H H 7.572 0.005 . 69 17 17 SER HA H 4.864 0.000 . 70 17 17 SER HB2 H 3.802 0.000 . 71 17 17 SER N N 116.214 0.042 . 72 19 19 PRO HA H 4.300 0.000 . 73 19 19 PRO HB2 H 2.460 0.000 . 74 19 19 PRO HG2 H 2.037 0.000 . 75 20 20 GLU H H 9.629 0.012 . 76 20 20 GLU HA H 4.183 0.000 . 77 20 20 GLU HB2 H 2.113 0.000 . 78 20 20 GLU HG2 H 2.427 0.000 . 79 20 20 GLU N N 117.368 0.000 . 80 21 21 THR H H 7.345 0.006 . 81 21 21 THR HA H 4.199 0.000 . 82 21 21 THR HB H 4.776 0.000 . 83 21 21 THR HG2 H 1.377 0.000 . 84 21 21 THR N N 116.987 0.040 . 85 22 22 GLN H H 8.211 0.000 . 86 22 22 GLN HA H 3.885 0.000 . 87 22 22 GLN HB2 H 2.539 0.000 . 88 22 22 GLN HB3 H 2.316 0.000 . 89 22 22 GLN N N 121.178 0.023 . 90 23 23 ARG H H 7.883 0.005 . 91 23 23 ARG HA H 3.969 0.000 . 92 23 23 ARG HB2 H 1.966 0.000 . 93 23 23 ARG HG2 H 1.824 0.000 . 94 23 23 ARG HD2 H 3.240 0.000 . 95 23 23 ARG N N 116.767 0.044 . 96 24 24 MET H H 7.504 0.003 . 97 24 24 MET HA H 4.198 0.000 . 98 24 24 MET HB2 H 2.730 0.000 . 99 24 24 MET HB3 H 2.282 0.000 . 100 24 24 MET HG2 H 2.594 0.000 . 101 24 24 MET N N 118.532 0.038 . 102 25 25 MET H H 8.369 0.004 . 103 25 25 MET HA H 4.187 0.000 . 104 25 25 MET HB2 H 2.251 0.000 . 105 25 25 MET HG2 H 2.730 0.000 . 106 25 25 MET N N 119.181 0.018 . 107 26 26 LEU H H 8.473 0.010 . 108 26 26 LEU HA H 3.966 0.000 . 109 26 26 LEU HB2 H 1.504 0.000 . 110 26 26 LEU HD1 H 0.953 0.000 . 111 26 26 LEU N N 119.841 0.000 . 112 27 27 GLY H H 8.569 0.009 . 113 27 27 GLY HA2 H 4.020 0.000 . 114 27 27 GLY HA3 H 3.664 0.000 . 115 27 27 GLY N N 107.539 0.000 . 116 28 28 GLU H H 8.151 0.001 . 117 28 28 GLU HA H 4.146 0.000 . 118 28 28 GLU HB2 H 2.208 0.000 . 119 28 28 GLU HB3 H 2.084 0.000 . 120 28 28 GLU HG2 H 2.428 0.000 . 121 28 28 GLU N N 119.653 0.024 . 122 29 29 ASN H H 7.331 0.006 . 123 29 29 ASN HA H 4.645 0.000 . 124 29 29 ASN HB2 H 2.646 0.000 . 125 29 29 ASN N N 114.857 0.052 . 126 30 30 LEU H H 8.485 0.011 . 127 30 30 LEU HA H 4.184 0.000 . 128 30 30 LEU HB2 H 1.504 0.000 . 129 30 30 LEU HD1 H 0.860 0.000 . 130 30 30 LEU N N 119.841 0.000 . 131 31 31 TYR H H 8.514 0.009 . 132 31 31 TYR HA H 4.365 0.000 . 133 31 31 TYR HB2 H 3.181 0.000 . 134 31 31 TYR HB3 H 2.744 0.000 . 135 31 31 TYR N N 118.267 0.000 . 136 33 33 LEU H H 6.827 0.007 . 137 33 33 LEU HA H 4.125 0.000 . 138 33 33 LEU HB2 H 1.919 0.000 . 139 33 33 LEU HB3 H 1.493 0.000 . 140 33 33 LEU HD1 H 0.869 0.000 . 141 33 33 LEU N N 115.043 0.033 . 142 34 34 VAL H H 7.841 0.002 . 143 34 34 VAL HA H 3.362 0.013 . 144 34 34 VAL HB H 1.959 0.000 . 145 34 34 VAL HG1 H 0.887 0.000 . 146 34 34 VAL N N 120.319 0.038 . 147 35 35 ASP H H 8.693 0.016 . 148 35 35 ASP HA H 4.219 0.000 . 149 35 35 ASP HB2 H 2.365 0.000 . 150 35 35 ASP N N 118.909 0.047 . 151 36 36 GLN H H 8.476 0.005 . 152 36 36 GLN HA H 4.002 0.000 . 153 36 36 GLN HB2 H 2.001 0.000 . 154 36 36 GLN HG2 H 2.661 0.000 . 155 36 36 GLN HG3 H 2.557 0.000 . 156 36 36 GLN N N 119.636 0.040 . 157 37 37 LEU H H 7.301 0.004 . 158 37 37 LEU HA H 4.354 0.000 . 159 37 37 LEU HB2 H 1.954 0.000 . 160 37 37 LEU HB3 H 1.595 0.000 . 161 37 37 LEU HG H 1.839 0.000 . 162 37 37 LEU HD1 H 0.939 0.000 . 163 37 37 LEU N N 118.266 0.001 . 164 38 38 GLU H H 8.472 0.011 . 165 38 38 GLU HA H 4.364 0.000 . 166 38 38 GLU HB3 H 1.641 0.051 . 167 38 38 GLU HG2 H 2.344 0.000 . 168 38 38 GLU HG3 H 1.938 0.000 . 169 38 38 GLU N N 121.854 0.009 . 170 39 39 HIS H H 8.274 0.004 . 171 39 39 HIS HA H 4.979 0.000 . 172 39 39 HIS HB2 H 3.386 0.000 . 173 39 39 HIS HB3 H 3.084 0.000 . 174 39 39 HIS N N 121.652 0.021 . 175 40 40 ASP H H 8.536 0.002 . 176 40 40 ASP HA H 4.171 0.000 . 177 40 40 ASP HB2 H 2.727 0.000 . 178 40 40 ASP N N 118.330 0.000 . 179 41 41 GLN H H 8.312 0.013 . 180 41 41 GLN HA H 4.906 0.000 . 181 41 41 GLN HB2 H 2.501 0.000 . 182 41 41 GLN HB3 H 1.678 0.000 . 183 41 41 GLN HG2 H 2.240 0.000 . 184 41 41 GLN N N 114.820 0.026 . 185 42 42 ALA H H 7.154 0.006 . 186 42 42 ALA HA H 3.740 0.000 . 187 42 42 ALA HB H 1.418 0.000 . 188 42 42 ALA N N 122.090 0.020 . 189 43 43 ALA H H 8.983 0.021 . 190 43 43 ALA HA H 4.239 0.000 . 191 43 43 ALA HB H 1.605 0.000 . 192 43 43 ALA N N 121.214 0.031 . 193 44 44 LYS H H 7.852 0.004 . 194 44 44 LYS HA H 4.148 0.000 . 195 44 44 LYS HB2 H 1.937 0.000 . 196 44 44 LYS HG2 H 1.579 0.000 . 197 44 44 LYS N N 120.049 0.034 . 198 45 45 VAL H H 8.592 0.002 . 199 45 45 VAL HA H 3.656 0.000 . 200 45 45 VAL HB H 1.928 0.000 . 201 45 45 VAL HG1 H 0.979 0.002 . 202 45 45 VAL N N 118.975 0.021 . 203 46 46 THR H H 8.441 0.003 . 204 46 46 THR HA H 3.625 0.000 . 205 46 46 THR HB H 4.354 0.000 . 206 46 46 THR HG2 H 1.307 0.007 . 207 46 46 THR N N 116.768 0.036 . 208 47 47 GLY H H 7.727 0.003 . 209 47 47 GLY HA2 H 3.957 0.000 . 210 47 47 GLY HA3 H 3.737 0.000 . 211 47 47 GLY N N 105.226 0.000 . 212 48 48 MET H H 7.642 0.001 . 213 48 48 MET HA H 4.083 0.000 . 214 48 48 MET HB2 H 2.272 0.000 . 215 48 48 MET HG2 H 2.751 0.000 . 216 48 48 MET HG3 H 2.563 0.000 . 217 48 48 MET N N 119.659 0.015 . 218 49 49 LEU H H 8.229 0.006 . 219 49 49 LEU HA H 4.054 0.000 . 220 49 49 LEU HB2 H 2.019 0.018 . 221 49 49 LEU HB3 H 1.303 0.000 . 222 49 49 LEU HD1 H 0.777 0.004 . 223 49 49 LEU N N 120.766 0.025 . 224 50 50 LEU H H 7.713 0.002 . 225 50 50 LEU HA H 4.062 0.000 . 226 50 50 LEU HB2 H 1.959 0.000 . 227 50 50 LEU HG H 1.595 0.000 . 228 50 50 LEU HD1 H 0.918 0.000 . 229 50 50 LEU N N 114.589 0.004 . 230 51 51 GLU H H 7.135 0.002 . 231 51 51 GLU HA H 4.260 0.000 . 232 51 51 GLU HB2 H 2.032 0.000 . 233 51 51 GLU HG2 H 2.605 0.000 . 234 51 51 GLU HG3 H 2.292 0.000 . 235 51 51 GLU N N 116.106 0.044 . 236 52 52 MET H H 7.441 0.002 . 237 52 52 MET HA H 4.291 0.000 . 238 52 52 MET HB2 H 2.272 0.000 . 239 52 52 MET HG2 H 2.844 0.000 . 240 52 52 MET HG3 H 2.574 0.000 . 241 52 52 MET N N 117.656 0.027 . 242 53 53 ASP H H 8.470 0.012 . 243 53 53 ASP HA H 4.458 0.000 . 244 53 53 ASP HB2 H 2.771 0.000 . 245 53 53 ASP HB3 H 2.636 0.000 . 246 53 53 ASP N N 118.717 0.000 . 247 54 54 GLN H H 8.912 0.004 . 248 54 54 GLN HA H 3.802 0.000 . 249 54 54 GLN HB2 H 2.240 0.000 . 250 54 54 GLN HB3 H 2.063 0.000 . 251 54 54 GLN N N 123.379 0.030 . 252 55 55 THR H H 8.381 0.005 . 253 55 55 THR HA H 3.877 0.000 . 254 55 55 THR HB H 4.209 0.000 . 255 55 55 THR HG2 H 1.314 0.000 . 256 55 55 THR N N 111.961 0.029 . 257 56 56 GLU H H 7.429 0.003 . 258 56 56 GLU HA H 4.219 0.000 . 259 56 56 GLU HB2 H 2.365 0.000 . 260 56 56 GLU HB3 H 2.199 0.000 . 261 56 56 GLU N N 121.643 0.015 . 262 57 57 VAL H H 7.978 0.013 . 263 57 57 VAL HA H 3.448 0.000 . 264 57 57 VAL HB H 2.147 0.000 . 265 57 57 VAL HG1 H 1.016 0.000 . 266 57 57 VAL N N 120.111 0.032 . 267 58 58 LEU H H 8.269 0.004 . 268 58 58 LEU HA H 3.875 0.000 . 269 58 58 LEU HB2 H 1.834 0.000 . 270 58 58 LEU HB3 H 1.543 0.000 . 271 58 58 LEU HD1 H 0.897 0.000 . 272 58 58 LEU N N 118.075 0.045 . 273 59 59 HIS H H 7.396 0.002 . 274 59 59 HIS HA H 4.593 0.000 . 275 59 59 HIS HB2 H 3.511 0.000 . 276 59 59 HIS HB3 H 3.318 0.000 . 277 59 59 HIS N N 115.706 0.031 . 278 60 60 LEU H H 7.820 0.000 . 279 60 60 LEU HA H 3.865 0.000 . 280 60 60 LEU HB2 H 2.209 0.000 . 281 60 60 LEU HB3 H 1.355 0.000 . 282 60 60 LEU HD1 H 0.911 0.000 . 283 60 60 LEU HD2 H 0.765 0.000 . 284 60 60 LEU N N 117.600 0.000 . 285 61 61 LEU H H 7.416 0.006 . 286 61 61 LEU HA H 3.885 0.000 . 287 61 61 LEU HB2 H 2.147 0.000 . 288 61 61 LEU HB3 H 1.439 0.000 . 289 61 61 LEU HD1 H 0.869 0.000 . 290 61 61 LEU N N 113.558 0.026 . 291 62 62 GLU H H 7.328 0.002 . 292 62 62 GLU HA H 4.427 0.000 . 293 62 62 GLU HB2 H 2.136 0.000 . 294 62 62 GLU HG2 H 2.417 0.000 . 295 62 62 GLU N N 115.551 0.031 . 296 63 63 SER H H 7.255 0.002 . 297 63 63 SER HA H 5.072 0.000 . 298 63 63 SER HB2 H 3.563 0.000 . 299 63 63 SER N N 113.558 0.019 . 300 65 65 ASP H H 8.355 0.003 . 301 65 65 ASP HA H 4.385 0.000 . 302 65 65 ASP HB2 H 2.657 0.000 . 303 65 65 ASP HB3 H 2.501 0.000 . 304 65 65 ASP N N 116.117 0.019 . 305 66 66 ALA H H 7.739 0.005 . 306 66 66 ALA HA H 4.271 0.000 . 307 66 66 ALA HB H 1.470 0.000 . 308 66 66 ALA N N 124.135 0.031 . 309 67 67 LEU H H 8.230 0.003 . 310 67 67 LEU HA H 4.021 0.000 . 311 67 67 LEU HB2 H 1.943 0.000 . 312 67 67 LEU HG H 1.441 0.000 . 313 67 67 LEU N N 119.207 0.006 . 314 68 68 LYS H H 8.310 0.003 . 315 68 68 LYS HA H 3.824 0.000 . 316 68 68 LYS HB2 H 1.976 0.000 . 317 68 68 LYS HG2 H 1.624 0.000 . 318 68 68 LYS HG3 H 1.489 0.000 . 319 68 68 LYS N N 117.857 0.033 . 320 69 69 ALA H H 7.474 0.008 . 321 69 69 ALA HA H 4.260 0.000 . 322 69 69 ALA HB H 1.595 0.000 . 323 69 69 ALA N N 119.887 0.021 . 324 70 70 LYS H H 8.037 0.002 . 325 70 70 LYS HA H 4.260 0.000 . 326 70 70 LYS HB2 H 2.043 0.000 . 327 70 70 LYS HB3 H 1.824 0.000 . 328 70 70 LYS HG2 H 1.638 0.000 . 329 70 70 LYS HG3 H 1.510 0.000 . 330 70 70 LYS N N 118.735 0.033 . 331 71 71 VAL H H 8.896 0.014 . 332 71 71 VAL HA H 3.563 0.000 . 333 71 71 VAL HB H 2.230 0.000 . 334 71 71 VAL HG1 H 1.022 0.000 . 335 71 71 VAL N N 121.214 0.036 . 336 72 72 ALA H H 7.785 0.014 . 337 72 72 ALA HA H 4.187 0.000 . 338 72 72 ALA HB H 1.574 0.000 . 339 72 72 ALA N N 120.982 0.013 . 340 73 73 GLU H H 7.829 0.008 . 341 73 73 GLU HA H 4.062 0.000 . 342 73 73 GLU HB2 H 2.211 0.000 . 343 73 73 GLU HG2 H 2.511 0.000 . 344 73 73 GLU N N 118.785 0.023 . 345 74 74 ALA H H 8.168 0.006 . 346 74 74 ALA HA H 4.156 0.000 . 347 74 74 ALA HB H 1.616 0.000 . 348 74 74 ALA N N 122.722 0.041 . 349 75 75 MET H H 8.462 0.011 . 350 75 75 MET HA H 4.416 0.000 . 351 75 75 MET HB2 H 2.282 0.000 . 352 75 75 MET HB3 H 1.980 0.000 . 353 75 75 MET HG2 H 2.692 0.000 . 354 75 75 MET HG3 H 2.568 0.000 . 355 75 75 MET N N 115.303 0.044 . 356 76 76 GLU H H 7.729 0.001 . 357 76 76 GLU HA H 4.156 0.000 . 358 76 76 GLU HB2 H 2.220 0.000 . 359 76 76 GLU HG2 H 2.386 0.000 . 360 76 76 GLU N N 120.045 0.036 . 361 77 77 VAL H H 7.644 0.005 . 362 77 77 VAL HA H 3.688 0.000 . 363 77 77 VAL HB H 2.376 0.000 . 364 77 77 VAL HG1 H 1.126 0.000 . 365 77 77 VAL HG2 H 0.960 0.000 . 366 77 77 VAL N N 120.982 0.017 . 367 78 78 LEU H H 8.225 0.009 . 368 78 78 LEU HA H 4.052 0.000 . 369 78 78 LEU HB2 H 1.543 0.000 . 370 78 78 LEU HD1 H 0.893 0.016 . 371 78 78 LEU N N 119.631 0.026 . 372 79 79 ARG H H 8.317 0.003 . 373 79 79 ARG HA H 4.114 0.000 . 374 79 79 ARG HB2 H 1.949 0.000 . 375 79 79 ARG HG2 H 1.793 0.000 . 376 79 79 ARG HG3 H 1.584 0.000 . 377 79 79 ARG HD2 H 3.209 0.000 . 378 79 79 ARG N N 118.701 0.035 . 379 80 80 SER H H 7.888 0.004 . 380 80 80 SER HA H 4.343 0.000 . 381 80 80 SER HB2 H 4.062 0.000 . 382 80 80 SER N N 114.602 0.022 . 383 81 81 ALA H H 7.770 0.002 . 384 81 81 ALA HA H 4.323 0.000 . 385 81 81 ALA HB H 1.522 0.000 . 386 81 81 ALA N N 123.201 0.037 . 387 82 82 GLN H H 7.863 0.001 . 388 82 82 GLN HA H 4.271 0.000 . 389 82 82 GLN HB2 H 2.168 0.000 . 390 82 82 GLN HB3 H 2.063 0.000 . 391 82 82 GLN HG2 H 2.438 0.000 . 392 82 82 GLN N N 117.382 0.027 . 393 83 83 GLN H H 8.010 0.009 . 394 83 83 GLN HA H 4.281 0.000 . 395 83 83 GLN HB2 H 2.147 0.000 . 396 83 83 GLN HB3 H 2.022 0.000 . 397 83 83 GLN HG2 H 2.397 0.000 . 398 83 83 GLN N N 119.169 0.005 . 399 84 84 HIS H H 8.172 0.006 . 400 84 84 HIS HA H 4.744 0.000 . 401 84 84 HIS N N 120.326 0.035 . 402 85 85 THR H H 8.081 0.013 . 403 85 85 THR N N 114.873 0.000 . stop_ save_