data_7326 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Homonuclear NMR Assignment of the Pheromone En-1 ; _BMRB_accession_number 7326 _BMRB_flat_file_name bmr7326.str _Entry_type original _Submission_date 2006-11-06 _Accession_date 2006-11-06 _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 Placzek William J. . 2 Etezady-Esfarjani Touraj . . 3 Herrmann Torsten . . 4 Peti Wolfgang . . 5 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 252 "13C chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2007-09-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Cold-adapted signal proteins: NMR structures of pheromones from the Antarctic ciliate Euplotes nobilii. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17701553 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Placzek William J. . 2 Etezady-Esfarjani Touraj . . 3 Herrmann Torsten . . 4 Pedrini Bill . . 5 Peti Wolfgang . . 6 Alimenti Claudio . . 7 Luporini Pierangelo . . 8 Wuthrich Kurt . . stop_ _Journal_abbreviation 'IUBMB Life' _Journal_volume 59 _Journal_issue 8-9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 578 _Page_last 585 _Year 2007 _Details . loop_ _Keyword 'disulfide-bond identification' 'Euplotes nobiii' 'mating-type recognition' 'NMR structure' pheromone stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'En-1 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'En-1 monomer' $En-1 stop_ _System_molecular_weight 5630.1 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_En-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common En-1 _Molecular_mass 5630.1 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function pheromone stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 52 _Mol_residue_sequence ; NPEDWFTPDTCAYGDSNTAW TTCTTPGQTCYTCCSSCFDV VGEQACQMSAQC ; loop_ _Residue_seq_code _Residue_label 1 ASN 2 PRO 3 GLU 4 ASP 5 TRP 6 PHE 7 THR 8 PRO 9 ASP 10 THR 11 CYS 12 ALA 13 TYR 14 GLY 15 ASP 16 SER 17 ASN 18 THR 19 ALA 20 TRP 21 THR 22 THR 23 CYS 24 THR 25 THR 26 PRO 27 GLY 28 GLN 29 THR 30 CYS 31 TYR 32 THR 33 CYS 34 CYS 35 SER 36 SER 37 CYS 38 PHE 39 ASP 40 VAL 41 VAL 42 GLY 43 GLU 44 GLN 45 ALA 46 CYS 47 GLN 48 MET 49 SER 50 ALA 51 GLN 52 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-01 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 BMRB 16062 En-1 100.00 52 100.00 100.00 6.27e-28 PDB 2KC6 "Nmr Solution Structure Of The Pheromone En-1 Of Euplotes Nobilii At -1.5 C" 100.00 52 100.00 100.00 6.27e-28 PDB 2NSV "Nmr Solution Structure Of The Pheromone En-1" 100.00 52 100.00 100.00 6.27e-28 GB ACQ66088 "En-1 pheromone precursor [Euplotes nobilii]" 100.00 83 100.00 100.00 2.11e-29 SP P83441 "RecName: Full=Mating pheromone En-1 [Euplotes nobilii]" 100.00 52 100.00 100.00 6.27e-28 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $En-1 'Euplotes nobilii' 184062 Eukaryota Alveolata Euplotes nobilii 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 $En-1 'Purified from the natural source' . . . . . 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 $En-1 0.9 mM 0.9 0.85 [U-13C] 'Sodium Phosphate' 20 mM 19 21 . stop_ 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 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_2D_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D COSY' _Sample_label $sample_1 save_ save_2D_natural_abundance_[13C,_1H]-_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D natural abundance [13C, 1H]- HSQC' _Sample_label $sample_1 save_ save_2D_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 1 mM pH 6.0 0.2 pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 C 13 'methyl protons' ppm 0.0 indirect na . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'En-1 monomer' _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 3.929 0.002 . 2 2 2 PRO HB2 H 2.185 0.002 . 3 2 2 PRO HB3 H 1.736 0.002 . 4 2 2 PRO HG2 H 1.239 0.002 . 5 2 2 PRO HG3 H 0.510 0.002 . 6 2 2 PRO HD2 H 3.107 0.002 . 7 2 2 PRO HD3 H 2.849 0.002 . 8 3 3 GLU H H 8.467 0.002 . 9 3 3 GLU HA H 4.034 0.002 . 10 3 3 GLU HB2 H 1.863 0.002 . 11 3 3 GLU HB3 H 1.863 0.002 . 12 3 3 GLU HG2 H 2.231 0.002 . 13 3 3 GLU HG3 H 2.163 0.002 . 14 3 3 GLU CA C 58.941 0.300 . 15 4 4 ASP H H 7.384 0.002 . 16 4 4 ASP HA H 4.372 0.002 . 17 4 4 ASP HB2 H 2.491 0.002 . 18 4 4 ASP HB3 H 1.823 0.002 . 19 4 4 ASP CA C 55.841 0.300 . 20 5 5 TRP H H 7.213 0.002 . 21 5 5 TRP HA H 5.301 0.002 . 22 5 5 TRP HB2 H 3.777 0.002 . 23 5 5 TRP HB3 H 3.475 0.002 . 24 5 5 TRP HD1 H 7.510 0.002 . 25 5 5 TRP HE1 H 10.286 0.002 . 26 5 5 TRP HE3 H 6.469 0.002 . 27 5 5 TRP HZ2 H 7.343 0.002 . 28 5 5 TRP HZ3 H 6.927 0.002 . 29 5 5 TRP HH2 H 6.946 0.002 . 30 5 5 TRP CA C 54.979 0.300 . 31 6 6 PHE H H 7.537 0.002 . 32 6 6 PHE HA H 5.081 0.002 . 33 6 6 PHE HB2 H 3.686 0.002 . 34 6 6 PHE HB3 H 3.120 0.002 . 35 6 6 PHE HD1 H 7.337 0.002 . 36 6 6 PHE HD2 H 7.337 0.002 . 37 6 6 PHE HE1 H 7.443 0.002 . 38 6 6 PHE HE2 H 7.443 0.002 . 39 6 6 PHE HZ H 7.054 0.002 . 40 6 6 PHE CA C 56.899 0.300 . 41 7 7 THR H H 7.968 0.002 . 42 7 7 THR HA H 4.584 0.002 . 43 7 7 THR HB H 4.106 0.002 . 44 7 7 THR HG2 H 0.972 0.002 . 45 7 7 THR CG2 C 19.262 0.300 . 46 8 8 PRO HA H 3.288 0.002 . 47 8 8 PRO HB2 H 2.128 0.002 . 48 8 8 PRO HB3 H 2.128 0.002 . 49 8 8 PRO HG2 H 1.922 0.002 . 50 8 8 PRO HG3 H 1.823 0.002 . 51 8 8 PRO HD2 H 3.643 0.002 . 52 8 8 PRO HD3 H 2.711 0.002 . 53 9 9 ASP H H 8.496 0.002 . 54 9 9 ASP HA H 4.205 0.002 . 55 9 9 ASP HB2 H 2.626 0.002 . 56 9 9 ASP HB3 H 2.563 0.002 . 57 9 9 ASP CA C 57.410 0.300 . 58 10 10 THR H H 6.892 0.002 . 59 10 10 THR HA H 4.343 0.002 . 60 10 10 THR HB H 4.530 0.002 . 61 10 10 THR HG2 H 1.035 0.002 . 62 10 10 THR CA C 60.087 0.300 . 63 10 10 THR CG2 C 21.260 0.300 . 64 11 11 CYS H H 7.095 0.002 . 65 11 11 CYS HA H 4.506 0.002 . 66 11 11 CYS HB2 H 3.396 0.002 . 67 11 11 CYS HB3 H 2.856 0.002 . 68 12 12 ALA H H 8.599 0.002 . 69 12 12 ALA HA H 3.872 0.002 . 70 12 12 ALA HB H 0.705 0.002 . 71 12 12 ALA CA C 53.413 0.300 . 72 12 12 ALA CB C 18.093 0.300 . 73 13 13 TYR H H 7.408 0.002 . 74 13 13 TYR HA H 4.775 0.002 . 75 13 13 TYR HB2 H 3.234 0.002 . 76 13 13 TYR HB3 H 2.641 0.002 . 77 13 13 TYR HD1 H 7.103 0.002 . 78 13 13 TYR HD2 H 7.103 0.002 . 79 13 13 TYR HE1 H 6.982 0.002 . 80 13 13 TYR HE2 H 6.982 0.002 . 81 14 14 GLY H H 8.758 0.002 . 82 14 14 GLY HA2 H 4.131 0.002 . 83 14 14 GLY HA3 H 3.905 0.002 . 84 14 14 GLY CA C 46.415 0.300 . 85 15 15 ASP H H 7.249 0.002 . 86 15 15 ASP HA H 4.740 0.002 . 87 15 15 ASP HB2 H 2.740 0.002 . 88 15 15 ASP HB3 H 2.636 0.002 . 89 16 16 SER H H 8.536 0.002 . 90 16 16 SER HA H 2.970 0.002 . 91 16 16 SER HB2 H 3.234 0.002 . 92 16 16 SER HB3 H 3.234 0.002 . 93 16 16 SER CA C 61.557 0.300 . 94 17 17 ASN H H 8.155 0.002 . 95 17 17 ASN HA H 4.621 0.002 . 96 17 17 ASN HB2 H 2.805 0.002 . 97 17 17 ASN HB3 H 2.805 0.002 . 98 18 18 THR H H 9.022 0.002 . 99 18 18 THR HA H 3.827 0.002 . 100 18 18 THR HB H 3.918 0.002 . 101 18 18 THR HG2 H 1.145 0.002 . 102 18 18 THR CA C 66.360 0.300 . 103 18 18 THR CG2 C 21.928 0.300 . 104 19 19 ALA H H 8.405 0.002 . 105 19 19 ALA HA H 3.991 0.002 . 106 19 19 ALA HB H 1.705 0.002 . 107 19 19 ALA CA C 55.507 0.300 . 108 19 19 ALA CB C 19.819 0.300 . 109 20 20 TRP H H 8.893 0.002 . 110 20 20 TRP HA H 4.079 0.002 . 111 20 20 TRP HB2 H 3.435 0.002 . 112 20 20 TRP HB3 H 3.435 0.002 . 113 20 20 TRP HD1 H 7.025 0.002 . 114 20 20 TRP HE1 H 10.108 0.002 . 115 20 20 TRP HE3 H 6.657 0.002 . 116 20 20 TRP HZ2 H 7.425 0.002 . 117 20 20 TRP HZ3 H 6.357 0.002 . 118 20 20 TRP HH2 H 6.717 0.002 . 119 20 20 TRP CA C 61.526 0.300 . 120 21 21 THR H H 8.475 0.002 . 121 21 21 THR HA H 3.617 0.002 . 122 21 21 THR HB H 4.103 0.002 . 123 21 21 THR HG2 H 1.222 0.002 . 124 21 21 THR CA C 66.762 0.300 . 125 21 21 THR CG2 C 21.757 0.300 . 126 22 22 THR H H 8.373 0.002 . 127 22 22 THR HA H 3.580 0.002 . 128 22 22 THR HB H 3.443 0.002 . 129 22 22 THR HG2 H 0.749 0.002 . 130 22 22 THR CA C 67.110 0.300 . 131 22 22 THR CG2 C 21.351 0.300 . 132 23 23 CYS H H 8.231 0.002 . 133 23 23 CYS HA H 4.314 0.002 . 134 23 23 CYS HB2 H 3.196 0.002 . 135 23 23 CYS HB3 H 2.758 0.002 . 136 23 23 CYS CA C 57.591 0.300 . 137 24 24 THR H H 7.121 0.002 . 138 24 24 THR HA H 4.384 0.002 . 139 24 24 THR HB H 4.135 0.002 . 140 24 24 THR HG2 H 0.264 0.002 . 141 24 24 THR CA C 60.645 0.300 . 142 24 24 THR CG2 C 21.048 0.300 . 143 25 25 THR H H 7.132 0.002 . 144 25 25 THR HA H 5.095 0.002 . 145 25 25 THR HB H 4.254 0.002 . 146 25 25 THR HG2 H 1.295 0.002 . 147 25 25 THR CA C 59.257 0.300 . 148 25 25 THR CG2 C 21.277 0.300 . 149 26 26 PRO HA H 4.483 0.002 . 150 26 26 PRO HB2 H 2.293 0.002 . 151 26 26 PRO HB3 H 1.833 0.002 . 152 26 26 PRO HG2 H 2.093 0.002 . 153 26 26 PRO HG3 H 2.093 0.002 . 154 26 26 PRO HD2 H 4.124 0.002 . 155 26 26 PRO HD3 H 3.565 0.002 . 156 27 27 GLY H H 8.871 0.002 . 157 27 27 GLY HA2 H 4.527 0.002 . 158 27 27 GLY HA3 H 3.892 0.002 . 159 28 28 GLN H H 8.743 0.002 . 160 28 28 GLN HA H 4.121 0.002 . 161 28 28 GLN HB2 H 2.157 0.002 . 162 28 28 GLN HB3 H 2.157 0.002 . 163 28 28 GLN HG2 H 2.486 0.002 . 164 28 28 GLN HG3 H 2.486 0.002 . 165 28 28 GLN CA C 59.087 0.300 . 166 29 29 THR H H 8.370 0.002 . 167 29 29 THR HA H 4.453 0.002 . 168 29 29 THR HB H 4.532 0.002 . 169 29 29 THR HG2 H 1.136 0.002 . 170 29 29 THR CA C 60.111 0.300 . 171 29 29 THR CG2 C 21.935 0.300 . 172 30 30 CYS H H 6.939 0.002 . 173 30 30 CYS HA H 3.783 0.002 . 174 30 30 CYS HB2 H 3.687 0.002 . 175 30 30 CYS HB3 H 2.916 0.002 . 176 30 30 CYS CA C 60.608 0.300 . 177 31 31 TYR H H 9.624 0.002 . 178 31 31 TYR HA H 3.748 0.002 . 179 31 31 TYR HB2 H 3.235 0.002 . 180 31 31 TYR HB3 H 3.235 0.002 . 181 31 31 TYR HD1 H 6.995 0.002 . 182 31 31 TYR HD2 H 6.995 0.002 . 183 31 31 TYR HE1 H 6.820 0.002 . 184 31 31 TYR HE2 H 6.820 0.002 . 185 31 31 TYR CA C 64.703 0.300 . 186 32 32 THR H H 9.625 0.002 . 187 32 32 THR HA H 4.015 0.002 . 188 32 32 THR HB H 4.050 0.002 . 189 32 32 THR HG2 H 1.368 0.002 . 190 32 32 THR CA C 66.499 0.300 . 191 32 32 THR CG2 C 22.251 0.300 . 192 33 33 CYS H H 8.711 0.002 . 193 33 33 CYS HA H 4.919 0.002 . 194 33 33 CYS HB2 H 3.973 0.002 . 195 33 33 CYS HB3 H 3.333 0.002 . 196 33 33 CYS CA C 56.405 0.300 . 197 34 34 CYS H H 8.057 0.002 . 198 34 34 CYS HA H 4.658 0.002 . 199 34 34 CYS HB2 H 3.164 0.002 . 200 34 34 CYS HB3 H 2.916 0.002 . 201 35 35 SER H H 7.412 0.002 . 202 35 35 SER HA H 4.390 0.002 . 203 35 35 SER HB2 H 3.993 0.002 . 204 35 35 SER HB3 H 3.845 0.002 . 205 35 35 SER CA C 60.578 0.300 . 206 36 36 SER H H 7.106 0.002 . 207 36 36 SER HA H 4.647 0.002 . 208 36 36 SER HB2 H 4.227 0.002 . 209 36 36 SER HB3 H 3.773 0.002 . 210 37 37 CYS H H 7.623 0.002 . 211 37 37 CYS HA H 4.421 0.002 . 212 37 37 CYS HB2 H 3.111 0.002 . 213 37 37 CYS HB3 H 2.699 0.002 . 214 37 37 CYS CA C 59.938 0.300 . 215 38 38 PHE H H 7.003 0.002 . 216 38 38 PHE HA H 5.579 0.002 . 217 38 38 PHE HB2 H 3.112 0.002 . 218 38 38 PHE HB3 H 2.899 0.002 . 219 38 38 PHE HD1 H 7.600 0.002 . 220 38 38 PHE HD2 H 7.600 0.002 . 221 38 38 PHE HE1 H 7.389 0.002 . 222 38 38 PHE HE2 H 7.389 0.002 . 223 38 38 PHE HZ H 7.571 0.002 . 224 39 39 ASP H H 8.752 0.002 . 225 39 39 ASP HA H 4.371 0.002 . 226 39 39 ASP HB2 H 3.345 0.002 . 227 39 39 ASP HB3 H 2.744 0.002 . 228 39 39 ASP CA C 55.841 0.300 . 229 40 40 VAL H H 7.735 0.002 . 230 40 40 VAL HA H 3.914 0.002 . 231 40 40 VAL HB H 2.121 0.002 . 232 40 40 VAL HG1 H 1.032 0.002 . 233 40 40 VAL HG2 H 0.991 0.002 . 234 40 40 VAL CA C 66.158 0.300 . 235 40 40 VAL CG1 C 21.277 0.300 . 236 40 40 VAL CG2 C 20.722 0.300 . 237 41 41 VAL H H 7.396 0.002 . 238 41 41 VAL HA H 3.488 0.002 . 239 41 41 VAL HB H 1.797 0.002 . 240 41 41 VAL HG1 H 0.916 0.002 . 241 41 41 VAL HG2 H 0.506 0.002 . 242 41 41 VAL CA C 65.421 0.300 . 243 41 41 VAL CG1 C 22.060 0.300 . 244 41 41 VAL CG2 C 21.046 0.300 . 245 42 42 GLY H H 8.557 0.002 . 246 42 42 GLY HA2 H 3.174 0.002 . 247 42 42 GLY HA3 H 2.555 0.002 . 248 42 42 GLY CA C 47.737 0.300 . 249 43 43 GLU H H 10.035 0.002 . 250 43 43 GLU HA H 3.718 0.002 . 251 43 43 GLU HB2 H 2.063 0.002 . 252 43 43 GLU HB3 H 1.980 0.002 . 253 43 43 GLU HG2 H 1.739 0.002 . 254 43 43 GLU HG3 H 1.605 0.002 . 255 43 43 GLU CA C 59.828 0.300 . 256 44 44 GLN H H 6.655 0.002 . 257 44 44 GLN HA H 3.992 0.002 . 258 44 44 GLN HB2 H 2.026 0.002 . 259 44 44 GLN HB3 H 2.026 0.002 . 260 44 44 GLN HG2 H 2.490 0.002 . 261 44 44 GLN HG3 H 2.321 0.002 . 262 44 44 GLN CA C 58.284 0.300 . 263 45 45 ALA H H 7.058 0.002 . 264 45 45 ALA HA H 4.015 0.002 . 265 45 45 ALA HB H 1.222 0.002 . 266 45 45 ALA CA C 55.304 0.300 . 267 45 45 ALA CB C 18.028 0.300 . 268 46 46 CYS H H 8.788 0.002 . 269 46 46 CYS HA H 3.119 0.002 . 270 46 46 CYS HB2 H 2.268 0.002 . 271 46 46 CYS HB3 H 2.268 0.002 . 272 46 46 CYS CA C 58.739 0.300 . 273 47 47 GLN H H 8.273 0.002 . 274 47 47 GLN HA H 3.332 0.002 . 275 47 47 GLN HB2 H 2.208 0.002 . 276 47 47 GLN HB3 H 2.208 0.002 . 277 47 47 GLN HG2 H 1.743 0.002 . 278 47 47 GLN HG3 H 0.959 0.002 . 279 47 47 GLN CA C 58.825 0.300 . 280 48 48 MET H H 8.015 0.002 . 281 48 48 MET HA H 4.323 0.002 . 282 48 48 MET HB2 H 2.177 0.002 . 283 48 48 MET HB3 H 2.177 0.002 . 284 48 48 MET HG2 H 2.786 0.002 . 285 48 48 MET HG3 H 2.692 0.002 . 286 48 48 MET CA C 57.591 0.300 . 287 48 48 MET CE C 16.723 0.300 . 288 49 49 SER H H 7.558 0.002 . 289 49 49 SER HA H 4.512 0.002 . 290 49 49 SER HB2 H 4.009 0.002 . 291 49 49 SER HB3 H 3.825 0.002 . 292 50 50 ALA H H 7.472 0.002 . 293 50 50 ALA HA H 4.144 0.002 . 294 50 50 ALA HB H 1.606 0.002 . 295 50 50 ALA CA C 52.925 0.300 . 296 50 50 ALA CB C 18.414 0.300 . 297 51 51 GLN H H 7.905 0.002 . 298 51 51 GLN HA H 4.532 0.002 . 299 51 51 GLN HB2 H 2.096 0.002 . 300 51 51 GLN HB3 H 2.028 0.002 . 301 51 51 GLN HG2 H 2.425 0.002 . 302 51 51 GLN HG3 H 2.318 0.002 . 303 51 51 GLN CA C 54.534 0.300 . 304 52 52 CYS H H 7.800 0.002 . 305 52 52 CYS HA H 4.537 0.002 . 306 52 52 CYS HB2 H 3.403 0.002 . 307 52 52 CYS HB3 H 2.532 0.002 . stop_ save_