data_25574 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Spatial Structure of Antimicrobial Peptide SmAMP2-2c from Seeds of Stellaria media ; _BMRB_accession_number 25574 _BMRB_flat_file_name bmr25574.str _Entry_type original _Submission_date 2015-04-16 _Accession_date 2015-04-16 _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 Bozin Timur N. . 2 Bocharov Eduard V. . 3 Panova Stanislava V. . 4 Vassilevski Alexander A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 152 "13C chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-06-27 original BMRB . stop_ _Original_release_date 2016-06-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Common chickweed (Stellaria media) antifungal peptides with chitin-binding domain provide unique plant defense strategy. ; _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 Vassilevski Alexander A. . 2 Bozin Timur N. . 3 Musolyamov Alexander K. . 4 Panova Stanislava V. . 5 Slavokhotova Anna A. . 6 Mitkevich Vladimir A. . 7 Finkina Ekaterina I. . 8 Nikonorova Alexandra K. . 9 Ovchinnikova Tatyana V. . 10 Arseniev Alexander S. . 11 Babakov Alexei V. . 12 Bocharov Eduard V. . 13 Grishin Eugene V. . 14 Egorov Tsezi A. . stop_ _Journal_abbreviation 'Molecular Plant' _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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Antimicrobial Peptide SmAMP2-2c' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SmAMP2-2c $SmAMP2-2c stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SmAMP2-2c _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SmAMP2-2c _Molecular_mass 3002.410 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 30 _Mol_residue_sequence ; AAGQCYRGRCSGGLCCSKYG YCGSGPAYCG ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ALA 3 GLY 4 GLN 5 CYS 6 TYR 7 ARG 8 GLY 9 ARG 10 CYS 11 SER 12 GLY 13 GLY 14 LEU 15 CYS 16 CYS 17 SER 18 LYS 19 TYR 20 GLY 21 TYR 22 CYS 23 GLY 24 SER 25 GLY 26 PRO 27 ALA 28 TYR 29 CYS 30 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GB CBJ21249 'AMP-2 precursor' . . . . . 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 _Details $SmAMP2-2c 'Stellaria media' 13274 Eukaryota Viridiplantae Stellaria media amp-2 'isolated from seeds of Stellaria media' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $SmAMP2-2c 'recombinant technology' . Escherichia coli BL21 BL21(DE3) pET-32b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_inH2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SmAMP2-2c 0.8 mM 'natural abundance' 'sodium acetate' 20 mM 'natural abundance' 'sodium chloride' 30 mM 'natural abundance' stop_ save_ save_sample_inD2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SmAMP2-2c 0.8 mM 'natural abundance' 'sodium acetate' 20 mM 'natural abundance' 'sodium chloride' 30 mM 'natural abundance' stop_ save_ save_sample_4NOE _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SmAMP2-2c 2 mM 'natural abundance' 'sodium acetate' 10 mM 'natural abundance' 'sodium chloride' 70 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'molecule viewer' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ACME _Saveframe_category software _Name ACME _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task 'J-coupling measurement' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_DRX-600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_Bruker_DRX-700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _Details . save_ save_Bruker_DRX-800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_inD2O save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_inD2O save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4NOE save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_4NOE save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_inH2O save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_inH2O save_ ####################### # Sample conditions # ####################### save_sample_conditions_30C _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.08 0.01 M pH 4.5 0.05 pH pressure 1 . atm temperature 303 1 K stop_ save_ save_sample_conditions_10C _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 0.01 M pH 4.5 0.05 pH pressure 1 . atm temperature 283 1 K stop_ save_ save_sample_conditions_40C _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 0.01 M pH 4.5 0.05 pH pressure 1 . atm temperature 313 1 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 water H 1 'methyl protons' ppm 4.75 internal direct . . . 1.000000000 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 $CARA stop_ loop_ _Experiment_label '2D 1H-13C HSQC' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_inD2O $sample_inH2O stop_ _Sample_conditions_label $sample_conditions_30C _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SmAMP2-2c _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 ALA H H 8.469 0.020 1 2 1 1 ALA HA H 4.256 0.020 1 3 1 1 ALA HB H 1.339 0.020 1 4 1 1 ALA CA C 52.341 0.3 1 5 1 1 ALA CB C 19.004 0.3 1 6 2 2 ALA H H 8.200 0.020 1 7 2 2 ALA HA H 4.197 0.020 1 8 2 2 ALA HB H 1.316 0.020 1 9 2 2 ALA CA C 52.165 0.3 1 10 2 2 ALA CB C 19.023 0.3 1 11 3 3 GLY H H 8.540 0.020 1 12 3 3 GLY HA2 H 3.984 0.020 2 13 3 3 GLY HA3 H 4.068 0.020 2 14 3 3 GLY CA C 44.833 0.3 1 15 4 4 GLN H H 8.298 0.020 1 16 4 4 GLN HA H 4.442 0.020 1 17 4 4 GLN HB2 H 1.900 0.020 2 18 4 4 GLN HB3 H 2.047 0.020 2 19 4 4 GLN HG2 H 2.014 0.020 2 20 4 4 GLN HG3 H 2.240 0.020 2 21 4 4 GLN HE21 H 7.250 0.020 2 22 4 4 GLN HE22 H 6.806 0.020 2 23 4 4 GLN CA C 55.826 0.3 1 24 4 4 GLN CB C 30.318 0.3 1 25 4 4 GLN CG C 34.821 0.3 1 26 5 5 CYS H H 7.699 0.020 1 27 5 5 CYS HA H 4.378 0.020 1 28 5 5 CYS HB2 H 3.110 0.020 1 29 5 5 CYS HB3 H 2.843 0.020 1 30 5 5 CYS CA C 54.848 0.3 1 31 5 5 CYS CB C 41.396 0.3 1 32 6 6 TYR H H 8.716 0.020 1 33 6 6 TYR HA H 4.713 0.020 1 34 6 6 TYR HB2 H 2.881 0.020 1 35 6 6 TYR HB3 H 2.881 0.020 1 36 6 6 TYR HD1 H 7.101 0.020 1 37 6 6 TYR HD2 H 7.101 0.020 1 38 6 6 TYR HE1 H 6.764 0.020 1 39 6 6 TYR HE2 H 6.764 0.020 1 40 6 6 TYR CA C 57.097 0.3 1 41 6 6 TYR CB C 38.913 0.3 1 42 6 6 TYR CD1 C 133.215 0.3 1 43 6 6 TYR CD2 C 133.215 0.3 1 44 6 6 TYR CE1 C 118.179 0.3 1 45 6 6 TYR CE2 C 118.179 0.3 1 46 7 7 ARG H H 9.072 0.020 1 47 7 7 ARG HA H 3.641 0.020 1 48 7 7 ARG HB2 H 1.495 0.020 2 49 7 7 ARG HB3 H 1.715 0.020 2 50 7 7 ARG HG2 H 0.762 0.020 2 51 7 7 ARG HG3 H 1.083 0.020 2 52 7 7 ARG HD2 H 2.898 0.020 1 53 7 7 ARG HD3 H 2.898 0.020 1 54 7 7 ARG HE H 6.882 0.020 1 55 7 7 ARG CA C 56.630 0.3 1 56 7 7 ARG CB C 27.555 0.3 1 57 7 7 ARG CG C 26.767 0.3 1 58 7 7 ARG CD C 43.267 0.3 1 59 8 8 GLY H H 8.249 0.020 1 60 8 8 GLY HA2 H 3.699 0.020 1 61 8 8 GLY HA3 H 4.022 0.020 1 62 8 8 GLY CA C 45.227 0.3 1 63 9 9 ARG H H 7.816 0.020 1 64 9 9 ARG HA H 4.713 0.020 1 65 9 9 ARG HB2 H 1.873 0.020 1 66 9 9 ARG HB3 H 1.873 0.020 1 67 9 9 ARG HG2 H 1.612 0.020 1 68 9 9 ARG HG3 H 1.612 0.020 1 69 9 9 ARG HD2 H 3.182 0.020 1 70 9 9 ARG HD3 H 3.182 0.020 1 71 9 9 ARG HE H 7.133 0.020 1 72 9 9 ARG CA C 54.864 0.3 1 73 9 9 ARG CB C 33.260 0.3 1 74 9 9 ARG CG C 26.879 0.3 1 75 9 9 ARG CD C 43.090 0.3 1 76 10 10 CYS H H 8.618 0.020 1 77 10 10 CYS HA H 4.986 0.020 1 78 10 10 CYS HB2 H 2.611 0.020 1 79 10 10 CYS HB3 H 3.010 0.020 1 80 10 10 CYS CA C 54.466 0.3 1 81 10 10 CYS CB C 46.281 0.3 1 82 11 11 SER H H 8.610 0.020 1 83 11 11 SER HA H 4.597 0.020 1 84 11 11 SER HB2 H 3.860 0.020 1 85 11 11 SER HB3 H 3.860 0.020 1 86 11 11 SER CA C 57.879 0.3 1 87 11 11 SER CB C 64.063 0.3 1 88 12 12 GLY H H 8.618 0.020 1 89 12 12 GLY HA2 H 3.809 0.020 1 90 12 12 GLY HA3 H 3.809 0.020 1 91 12 12 GLY CA C 46.644 0.3 1 92 13 13 GLY H H 8.620 0.020 1 93 13 13 GLY HA2 H 3.702 0.020 2 94 13 13 GLY HA3 H 4.036 0.020 2 95 13 13 GLY CA C 44.986 0.3 1 96 14 14 LEU H H 7.063 0.020 1 97 14 14 LEU HA H 4.283 0.020 1 98 14 14 LEU HB2 H 1.720 0.020 1 99 14 14 LEU HB3 H 1.341 0.020 1 100 14 14 LEU HG H 1.576 0.020 1 101 14 14 LEU HD1 H 0.719 0.020 1 102 14 14 LEU HD2 H 0.581 0.020 1 103 14 14 LEU CA C 54.306 0.3 1 104 14 14 LEU CB C 42.029 0.3 1 105 14 14 LEU CG C 27.376 0.3 1 106 14 14 LEU CD1 C 25.324 0.3 1 107 14 14 LEU CD2 C 22.204 0.3 1 108 15 15 CYS H H 9.046 0.020 1 109 15 15 CYS HA H 4.442 0.020 1 110 15 15 CYS HB2 H 2.551 0.020 1 111 15 15 CYS HB3 H 3.746 0.020 1 112 15 15 CYS CA C 54.052 0.3 1 113 15 15 CYS CB C 50.309 0.3 1 114 16 16 CYS H H 8.685 0.020 1 115 16 16 CYS HA H 4.800 0.020 1 116 16 16 CYS HB2 H 2.758 0.020 2 117 16 16 CYS HB3 H 2.896 0.020 2 118 16 16 CYS CA C 55.835 0.3 1 119 16 16 CYS CB C 41.284 0.3 1 120 17 17 SER H H 9.830 0.020 1 121 17 17 SER HA H 4.892 0.020 1 122 17 17 SER HB2 H 4.359 0.020 1 123 17 17 SER HB3 H 4.304 0.020 1 124 17 17 SER HG H 6.276 0.020 1 125 17 17 SER CA C 57.178 0.3 1 126 17 17 SER CB C 66.501 0.3 1 127 18 18 LYS H H 8.916 0.020 1 128 18 18 LYS HA H 4.021 0.020 1 129 18 18 LYS HB2 H 1.473 0.020 2 130 18 18 LYS HB3 H 1.541 0.020 2 131 18 18 LYS HG2 H 0.665 0.020 2 132 18 18 LYS HG3 H 1.048 0.020 2 133 18 18 LYS HD2 H 1.440 0.020 1 134 18 18 LYS HD3 H 1.440 0.020 1 135 18 18 LYS HE2 H 2.793 0.020 1 136 18 18 LYS HE3 H 2.793 0.020 1 137 18 18 LYS CA C 57.853 0.3 1 138 18 18 LYS CB C 31.323 0.3 1 139 18 18 LYS CG C 23.568 0.3 1 140 18 18 LYS CD C 28.764 0.3 1 141 18 18 LYS CE C 41.491 0.3 1 142 19 19 TYR H H 7.406 0.020 1 143 19 19 TYR HA H 4.627 0.020 1 144 19 19 TYR HB2 H 2.703 0.020 1 145 19 19 TYR HB3 H 3.531 0.020 1 146 19 19 TYR HD1 H 7.126 0.020 1 147 19 19 TYR HD2 H 7.126 0.020 1 148 19 19 TYR HE1 H 6.807 0.020 1 149 19 19 TYR HE2 H 6.807 0.020 1 150 19 19 TYR CA C 56.866 0.3 1 151 19 19 TYR CB C 38.390 0.3 1 152 19 19 TYR CD1 C 132.683 0.3 1 153 19 19 TYR CD2 C 132.683 0.3 1 154 19 19 TYR CE1 C 117.920 0.3 1 155 19 19 TYR CE2 C 117.920 0.3 1 156 20 20 GLY H H 7.960 0.020 1 157 20 20 GLY HA2 H 3.545 0.020 2 158 20 20 GLY HA3 H 3.957 0.020 2 159 20 20 GLY CA C 46.476 0.3 1 160 21 21 TYR H H 7.518 0.020 1 161 21 21 TYR HA H 5.067 0.020 1 162 21 21 TYR HB2 H 2.863 0.020 1 163 21 21 TYR HB3 H 3.254 0.020 1 164 21 21 TYR HD1 H 6.901 0.020 1 165 21 21 TYR HD2 H 6.901 0.020 1 166 21 21 TYR HE1 H 6.775 0.020 1 167 21 21 TYR HE2 H 6.775 0.020 1 168 21 21 TYR CA C 57.097 0.3 1 169 21 21 TYR CB C 42.270 0.3 1 170 21 21 TYR CD1 C 133.097 0.3 1 171 21 21 TYR CD2 C 133.097 0.3 1 172 21 21 TYR CE1 C 117.890 0.3 1 173 21 21 TYR CE2 C 117.890 0.3 1 174 22 22 CYS H H 8.725 0.020 1 175 22 22 CYS HA H 5.564 0.020 1 176 22 22 CYS HB2 H 2.757 0.020 1 177 22 22 CYS HB3 H 2.712 0.020 1 178 22 22 CYS CA C 54.074 0.3 1 179 22 22 CYS CB C 43.146 0.3 1 180 23 23 GLY H H 8.751 0.020 1 181 23 23 GLY HA2 H 3.563 0.020 1 182 23 23 GLY HA3 H 1.937 0.020 1 183 23 23 GLY CA C 45.008 0.3 1 184 24 24 SER H H 7.967 0.020 1 185 24 24 SER HA H 5.091 0.020 1 186 24 24 SER HB2 H 3.680 0.020 2 187 24 24 SER HB3 H 3.733 0.020 2 188 24 24 SER CA C 56.600 0.3 1 189 24 24 SER CB C 65.722 0.3 1 190 25 25 GLY H H 8.271 0.020 1 191 25 25 GLY HA2 H 3.951 0.020 1 192 25 25 GLY HA3 H 4.536 0.020 1 193 25 25 GLY CA C 44.720 0.3 1 194 26 26 PRO HA H 4.290 0.020 1 195 26 26 PRO HB2 H 1.921 0.020 1 196 26 26 PRO HB3 H 2.317 0.020 1 197 26 26 PRO HG2 H 2.069 0.020 1 198 26 26 PRO HG3 H 2.003 0.020 1 199 26 26 PRO HD2 H 3.787 0.020 1 200 26 26 PRO HD3 H 3.630 0.020 1 201 26 26 PRO CA C 65.282 0.3 1 202 26 26 PRO CB C 31.904 0.3 1 203 26 26 PRO CG C 27.140 0.3 1 204 26 26 PRO CD C 49.753 0.3 1 205 27 27 ALA H H 8.685 0.020 1 206 27 27 ALA HA H 4.108 0.020 1 207 27 27 ALA HB H 1.258 0.020 1 208 27 27 ALA CA C 53.743 0.3 1 209 27 27 ALA CB C 17.939 0.3 1 210 28 28 TYR H H 7.708 0.020 1 211 28 28 TYR HA H 4.119 0.020 1 212 28 28 TYR HB2 H 2.444 0.020 1 213 28 28 TYR HB3 H 2.838 0.020 1 214 28 28 TYR HD1 H 7.180 0.020 1 215 28 28 TYR HD2 H 7.180 0.020 1 216 28 28 TYR HE1 H 6.680 0.020 1 217 28 28 TYR HE2 H 6.680 0.020 1 218 28 28 TYR CA C 51.764 0.3 1 219 28 28 TYR CB C 41.164 0.3 1 220 28 28 TYR CD1 C 134.216 0.3 1 221 28 28 TYR CD2 C 134.216 0.3 1 222 28 28 TYR CE1 C 117.732 0.3 1 223 28 28 TYR CE2 C 117.732 0.3 1 224 29 29 CYS H H 8.470 0.020 1 225 29 29 CYS HA H 4.521 0.020 1 226 29 29 CYS HB2 H 2.765 0.020 1 227 29 29 CYS HB3 H 3.268 0.020 1 228 29 29 CYS CA C 54.982 0.3 1 229 29 29 CYS CB C 43.058 0.3 1 230 30 30 GLY H H 7.777 0.020 1 231 30 30 GLY HA2 H 3.721 0.020 2 232 30 30 GLY HA3 H 3.790 0.020 2 233 30 30 GLY CA C 45.994 0.3 1 stop_ save_