data_7327 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Homonuclear NMR Assignment of the Pheromone En-2 ; _BMRB_accession_number 7327 _BMRB_flat_file_name bmr7327.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" 289 "13C chemical shifts" 66 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 nobilii pheromone' 'mating-type recognition' 'NMR structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name En-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'En-2 monomer' $En-2 stop_ _System_molecular_weight . _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-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common En-2 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; DIEDFYTSETCPYKNDSQLA WDTCSGGTGNCGTVCCGQCF SFPVSQSCAGMADSNDCPNA ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 ILE 3 GLU 4 ASP 5 PHE 6 TYR 7 THR 8 SER 9 GLU 10 THR 11 CYS 12 PRO 13 TYR 14 LYS 15 ASN 16 ASP 17 SER 18 GLN 19 LEU 20 ALA 21 TRP 22 ASP 23 THR 24 CYS 25 SER 26 GLY 27 GLY 28 THR 29 GLY 30 ASN 31 CYS 32 GLY 33 THR 34 VAL 35 CYS 36 CYS 37 GLY 38 GLN 39 CYS 40 PHE 41 SER 42 PHE 43 PRO 44 VAL 45 SER 46 GLN 47 SER 48 CYS 49 ALA 50 GLY 51 MET 52 ALA 53 ASP 54 SER 55 ASN 56 ASP 57 CYS 58 PRO 59 ASN 60 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-25 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 2NSW "Nmr Solution Structure Of The Pheromone En-2" 100.00 60 100.00 100.00 1.57e-34 GB ACQ66089 "En-2 pheromone precursor [Euplotes nobilii]" 100.00 91 100.00 100.00 7.11e-36 SP P83235 "RecName: Full=Mating pheromone En-2 [Euplotes nobilii]" 100.00 60 100.00 100.00 1.57e-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 $En-2 '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-2 'Purified from the natural source' 'Euplotes nobilii' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM Sodium Phosphate buffer pH 6.0, 0.9 mM en-2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $En-2 0.9 mM . 'Sodium Phosphate' 20 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_900MHz_spectrometer _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_ save_2D_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_COSY _Saveframe_category NMR_applied_experiment _Experiment_name '2D COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_natural_abundance_13C_1H-_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '2D natural abundance [13C, 1H]- HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 0.1 pH 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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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-2 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 ILE H H 8.383 0.002 . 2 2 2 ILE HA H 3.974 0.002 . 3 2 2 ILE HB H 1.709 0.002 . 4 2 2 ILE HG12 H 1.178 0.002 . 5 2 2 ILE HG13 H 0.769 0.002 . 6 2 2 ILE HG2 H 0.413 0.002 . 7 2 2 ILE HD1 H 0.209 0.002 . 8 2 2 ILE CA C 65.264 0.200 . 9 2 2 ILE CG2 C 17.996 0.200 . 10 2 2 ILE CD1 C 12.980 0.200 . 11 3 3 GLU H H 8.784 0.002 . 12 3 3 GLU HA H 4.114 0.002 . 13 3 3 GLU HB2 H 2.171 0.002 . 14 3 3 GLU HB3 H 2.043 0.002 . 15 3 3 GLU HG2 H 2.425 0.002 . 16 3 3 GLU HG3 H 2.382 0.002 . 17 3 3 GLU CA C 59.568 0.200 . 18 4 4 ASP H H 7.833 0.002 . 19 4 4 ASP HA H 4.404 0.002 . 20 4 4 ASP HB2 H 2.601 0.002 . 21 4 4 ASP HB3 H 2.357 0.002 . 22 4 4 ASP CA C 56.021 0.200 . 23 5 5 PHE H H 8.004 0.002 . 24 5 5 PHE HA H 4.693 0.002 . 25 5 5 PHE HB2 H 3.882 0.002 . 26 5 5 PHE HB3 H 2.889 0.002 . 27 5 5 PHE HD1 H 7.364 0.002 . 28 5 5 PHE HD2 H 7.364 0.002 . 29 5 5 PHE HE1 H 7.443 0.002 . 30 5 5 PHE HE2 H 7.443 0.002 . 31 5 5 PHE HZ H 7.321 0.002 . 32 6 6 TYR H H 7.430 0.002 . 33 6 6 TYR HA H 5.212 0.002 . 34 6 6 TYR HB2 H 3.384 0.002 . 35 6 6 TYR HB3 H 3.233 0.002 . 36 6 6 TYR HD1 H 7.223 0.002 . 37 6 6 TYR HD2 H 7.223 0.002 . 38 6 6 TYR HE1 H 6.872 0.002 . 39 6 6 TYR HE2 H 6.872 0.002 . 40 6 6 TYR CA C 55.401 0.200 . 41 7 7 THR H H 8.639 0.002 . 42 7 7 THR HA H 4.271 0.002 . 43 7 7 THR HB H 4.113 0.002 . 44 7 7 THR HG2 H 0.947 0.002 . 45 7 7 THR CA C 57.467 0.200 . 46 7 7 THR CG2 C 20.362 0.200 . 47 8 8 SER H H 7.667 0.002 . 48 8 8 SER HA H 3.241 0.002 . 49 8 8 SER HB2 H 3.566 0.002 . 50 8 8 SER HB3 H 3.566 0.002 . 51 8 8 SER CA C 61.114 0.200 . 52 9 9 GLU H H 8.688 0.002 . 53 9 9 GLU HA H 3.904 0.002 . 54 9 9 GLU HB2 H 2.012 0.002 . 55 9 9 GLU HB3 H 1.897 0.002 . 56 9 9 GLU HG2 H 2.271 0.002 . 57 9 9 GLU HG3 H 2.271 0.002 . 58 9 9 GLU CA C 59.418 0.200 . 59 10 10 THR H H 6.845 0.002 . 60 10 10 THR HA H 5.740 0.002 . 61 10 10 THR HB H 4.575 0.002 . 62 10 10 THR HG2 H 1.110 0.002 . 63 10 10 THR CG2 C 21.494 0.200 . 64 11 11 CYS H H 7.405 0.002 . 65 11 11 CYS HA H 4.654 0.002 . 66 11 11 CYS HB2 H 3.574 0.002 . 67 11 11 CYS HB3 H 2.921 0.002 . 68 12 12 PRO HA H 4.067 0.002 . 69 12 12 PRO HB2 H 0.522 0.002 . 70 12 12 PRO HB3 H 2.001 0.002 . 71 12 12 PRO HG2 H 1.825 0.002 . 72 12 12 PRO HG3 H 1.650 0.002 . 73 12 12 PRO HD2 H 3.897 0.002 . 74 12 12 PRO HD3 H 3.506 0.002 . 75 13 13 TYR H H 6.985 0.002 . 76 13 13 TYR HA H 4.633 0.002 . 77 13 13 TYR HB2 H 2.986 0.002 . 78 13 13 TYR HB3 H 2.872 0.002 . 79 13 13 TYR HD1 H 7.043 0.002 . 80 13 13 TYR HD2 H 7.043 0.002 . 81 13 13 TYR HE1 H 6.858 0.002 . 82 13 13 TYR HE2 H 6.858 0.002 . 83 14 14 LYS H H 8.618 0.002 . 84 14 14 LYS HA H 4.449 0.002 . 85 14 14 LYS HB2 H 1.721 0.002 . 86 14 14 LYS HB3 H 1.721 0.002 . 87 14 14 LYS HG2 H 1.293 0.002 . 88 14 14 LYS HG3 H 1.293 0.002 . 89 14 14 LYS HD2 H 1.538 0.002 . 90 14 14 LYS HD3 H 1.440 0.002 . 91 14 14 LYS HE2 H 2.931 0.002 . 92 14 14 LYS HE3 H 2.851 0.002 . 93 14 14 LYS CA C 55.418 0.200 . 94 15 15 ASN H H 8.799 0.002 . 95 15 15 ASN HA H 4.580 0.002 . 96 15 15 ASN HB2 H 3.080 0.002 . 97 15 15 ASN HB3 H 2.831 0.002 . 98 16 16 ASP H H 8.435 0.002 . 99 16 16 ASP HA H 4.578 0.002 . 100 16 16 ASP HB2 H 2.731 0.002 . 101 16 16 ASP HB3 H 2.519 0.002 . 102 16 16 ASP CA C 55.276 0.200 . 103 17 17 SER H H 8.711 0.002 . 104 17 17 SER HA H 2.589 0.002 . 105 17 17 SER HB2 H 3.424 0.002 . 106 17 17 SER HB3 H 3.358 0.002 . 107 17 17 SER CA C 60.757 0.200 . 108 18 18 GLN H H 8.002 0.002 . 109 18 18 GLN HA H 3.946 0.002 . 110 18 18 GLN HB2 H 2.119 0.002 . 111 18 18 GLN HB3 H 2.119 0.002 . 112 18 18 GLN HG2 H 2.410 0.002 . 113 18 18 GLN HG3 H 2.360 0.002 . 114 18 18 GLN CA C 58.142 0.200 . 115 19 19 LEU H H 7.761 0.002 . 116 19 19 LEU HA H 4.150 0.002 . 117 19 19 LEU HB2 H 1.567 0.002 . 118 19 19 LEU HB3 H 1.497 0.002 . 119 19 19 LEU HG H 1.074 0.002 . 120 19 19 LEU HD1 H 0.970 0.002 . 121 19 19 LEU HD2 H 0.765 0.002 . 122 19 19 LEU CA C 58.212 0.200 . 123 19 19 LEU CD1 C 25.937 0.200 . 124 19 19 LEU CD2 C 22.609 0.200 . 125 20 20 ALA H H 7.978 0.002 . 126 20 20 ALA HA H 4.062 0.002 . 127 20 20 ALA HB H 1.857 0.002 . 128 20 20 ALA CA C 55.081 0.200 . 129 20 20 ALA CB C 19.904 0.200 . 130 21 21 TRP H H 8.920 0.002 . 131 21 21 TRP HA H 4.091 0.002 . 132 21 21 TRP HB2 H 3.296 0.002 . 133 21 21 TRP HB3 H 3.260 0.002 . 134 21 21 TRP HD1 H 7.279 0.002 . 135 21 21 TRP HE1 H 9.827 0.002 . 136 21 21 TRP HE3 H 6.245 0.002 . 137 21 21 TRP HZ2 H 7.272 0.002 . 138 21 21 TRP HZ3 H 6.323 0.002 . 139 21 21 TRP HH2 H 6.662 0.002 . 140 21 21 TRP CA C 57.517 0.200 . 141 22 22 ASP H H 9.388 0.002 . 142 22 22 ASP HA H 3.975 0.002 . 143 22 22 ASP HB2 H 2.700 0.002 . 144 22 22 ASP HB3 H 2.555 0.002 . 145 22 22 ASP CA C 57.283 0.200 . 146 23 23 THR H H 7.980 0.002 . 147 23 23 THR HA H 3.763 0.002 . 148 23 23 THR HB H 3.547 0.002 . 149 23 23 THR HG2 H 0.940 0.002 . 150 23 23 THR CA C 65.967 0.200 . 151 23 23 THR CG2 C 19.925 0.200 . 152 24 24 CYS H H 8.797 0.002 . 153 24 24 CYS HA H 4.514 0.002 . 154 24 24 CYS HB2 H 3.786 0.002 . 155 24 24 CYS HB3 H 2.701 0.002 . 156 24 24 CYS CA C 57.153 0.200 . 157 25 25 SER H H 7.909 0.002 . 158 25 25 SER HA H 4.155 0.002 . 159 25 25 SER HB2 H 3.491 0.002 . 160 25 25 SER HB3 H 2.425 0.002 . 161 25 25 SER CA C 58.220 0.200 . 162 26 26 GLY H H 6.532 0.002 . 163 26 26 GLY HA2 H 4.128 0.002 . 164 26 26 GLY HA3 H 3.836 0.002 . 165 26 26 GLY CA C 44.472 0.200 . 166 27 27 GLY H H 8.009 0.002 . 167 27 27 GLY HA2 H 4.317 0.002 . 168 27 27 GLY HA3 H 3.633 0.002 . 169 27 27 GLY CA C 45.212 0.200 . 170 28 28 THR H H 7.250 0.002 . 171 28 28 THR HA H 4.779 0.002 . 172 28 28 THR HB H 4.202 0.002 . 173 28 28 THR HG2 H 1.111 0.002 . 174 28 28 THR CA C 58.539 0.200 . 175 28 28 THR CG2 C 20.555 0.200 . 176 29 29 GLY H H 8.707 0.002 . 177 29 29 GLY HA2 H 3.754 0.002 . 178 29 29 GLY HA3 H 3.729 0.002 . 179 29 29 GLY CA C 47.081 0.200 . 180 30 30 ASN H H 8.733 0.002 . 181 30 30 ASN HA H 4.817 0.002 . 182 30 30 ASN HB2 H 2.888 0.002 . 183 30 30 ASN HB3 H 2.521 0.002 . 184 30 30 ASN CA C 52.554 0.200 . 185 31 31 CYS H H 6.908 0.002 . 186 31 31 CYS HA H 4.779 0.002 . 187 31 31 CYS HB2 H 3.369 0.002 . 188 31 31 CYS HB3 H 2.922 0.002 . 189 31 31 CYS CA C 54.926 0.200 . 190 32 32 GLY H H 9.468 0.002 . 191 32 32 GLY HA2 H 4.724 0.002 . 192 32 32 GLY HA3 H 3.569 0.002 . 193 32 32 GLY CA C 45.045 0.200 . 194 33 33 THR H H 9.495 0.002 . 195 33 33 THR HA H 3.397 0.002 . 196 33 33 THR HB H 4.061 0.002 . 197 33 33 THR HG2 H 1.194 0.002 . 198 33 33 THR CA C 67.865 0.200 . 199 33 33 THR CG2 C 21.870 0.200 . 200 34 34 VAL H H 8.510 0.002 . 201 34 34 VAL HA H 3.620 0.002 . 202 34 34 VAL HB H 1.815 0.002 . 203 34 34 VAL HG1 H 1.003 0.002 . 204 34 34 VAL HG2 H 0.846 0.002 . 205 34 34 VAL CA C 67.153 0.200 . 206 34 34 VAL CG1 C 22.641 0.200 . 207 34 34 VAL CG2 C 20.404 0.200 . 208 35 35 CYS H H 7.944 0.002 . 209 35 35 CYS HA H 4.295 0.002 . 210 35 35 CYS HB2 H 3.458 0.002 . 211 35 35 CYS HB3 H 2.993 0.002 . 212 36 36 CYS H H 8.804 0.002 . 213 36 36 CYS HA H 4.249 0.002 . 214 36 36 CYS HB2 H 3.344 0.002 . 215 36 36 CYS HB3 H 3.043 0.002 . 216 36 36 CYS CA C 58.030 0.200 . 217 37 37 GLY H H 8.412 0.002 . 218 37 37 GLY HA2 H 4.009 0.002 . 219 37 37 GLY HA3 H 3.978 0.002 . 220 37 37 GLY CA C 46.435 0.200 . 221 38 38 GLN H H 8.141 0.002 . 222 38 38 GLN HA H 4.259 0.002 . 223 38 38 GLN HB2 H 2.646 0.002 . 224 38 38 GLN HB3 H 2.646 0.002 . 225 38 38 GLN HG2 H 2.452 0.002 . 226 38 38 GLN HG3 H 2.452 0.002 . 227 38 38 GLN CA C 58.671 0.200 . 228 39 39 CYS H H 7.853 0.002 . 229 39 39 CYS HA H 4.349 0.002 . 230 39 39 CYS HB2 H 3.215 0.002 . 231 39 39 CYS HB3 H 2.793 0.002 . 232 39 39 CYS CA C 59.782 0.200 . 233 40 40 PHE H H 8.173 0.002 . 234 40 40 PHE HA H 5.834 0.002 . 235 40 40 PHE HB2 H 3.202 0.002 . 236 40 40 PHE HB3 H 2.692 0.002 . 237 40 40 PHE HD1 H 7.462 0.002 . 238 40 40 PHE HD2 H 7.462 0.002 . 239 40 40 PHE HE1 H 7.705 0.002 . 240 40 40 PHE HE2 H 7.705 0.002 . 241 40 40 PHE CA C 56.466 0.200 . 242 41 41 SER H H 9.501 0.002 . 243 41 41 SER HA H 4.880 0.002 . 244 41 41 SER HB2 H 4.313 0.002 . 245 41 41 SER HB3 H 4.175 0.002 . 246 41 41 SER CA C 56.936 0.200 . 247 42 42 PHE H H 9.028 0.002 . 248 42 42 PHE HA H 4.557 0.002 . 249 42 42 PHE HB2 H 3.305 0.002 . 250 42 42 PHE HB3 H 3.120 0.002 . 251 42 42 PHE HD1 H 7.257 0.002 . 252 42 42 PHE HD2 H 7.257 0.002 . 253 42 42 PHE HE1 H 7.432 0.002 . 254 42 42 PHE HE2 H 7.432 0.002 . 255 42 42 PHE HZ H 7.409 0.002 . 256 42 42 PHE CA C 57.539 0.200 . 257 43 43 PRO HA H 3.218 0.002 . 258 43 43 PRO HB2 H 1.732 0.002 . 259 43 43 PRO HB3 H 1.102 0.002 . 260 43 43 PRO HG2 H 1.652 0.002 . 261 43 43 PRO HG3 H 1.203 0.002 . 262 43 43 PRO HD2 H 3.406 0.002 . 263 43 43 PRO HD3 H 3.029 0.002 . 264 44 44 VAL H H 7.467 0.002 . 265 44 44 VAL HA H 3.646 0.002 . 266 44 44 VAL HB H 2.134 0.002 . 267 44 44 VAL HG1 H 0.749 0.002 . 268 44 44 VAL HG2 H 0.377 0.002 . 269 44 44 VAL CA C 65.968 0.200 . 270 44 44 VAL CG1 C 22.940 0.200 . 271 44 44 VAL CG2 C 24.170 0.200 . 272 45 45 SER H H 8.047 0.002 . 273 45 45 SER HA H 3.789 0.002 . 274 45 45 SER HB2 H 4.339 0.002 . 275 45 45 SER HB3 H 4.339 0.002 . 276 45 45 SER CA C 61.002 0.200 . 277 46 46 GLN H H 6.929 0.002 . 278 46 46 GLN HA H 4.293 0.002 . 279 46 46 GLN HB2 H 2.200 0.002 . 280 46 46 GLN HB3 H 2.200 0.002 . 281 46 46 GLN HG2 H 2.473 0.002 . 282 46 46 GLN HG3 H 2.372 0.002 . 283 47 47 SER H H 7.759 0.002 . 284 47 47 SER HA H 4.345 0.002 . 285 47 47 SER HB2 H 4.043 0.002 . 286 47 47 SER HB3 H 4.043 0.002 . 287 47 47 SER CA C 60.551 0.200 . 288 48 48 CYS H H 8.703 0.002 . 289 48 48 CYS HA H 3.318 0.002 . 290 48 48 CYS HB2 H 2.704 0.002 . 291 48 48 CYS HB3 H 2.704 0.002 . 292 48 48 CYS CA C 59.319 0.200 . 293 49 49 ALA H H 7.942 0.002 . 294 49 49 ALA HA H 3.792 0.002 . 295 49 49 ALA HB H 1.501 0.002 . 296 49 49 ALA CA C 54.827 0.200 . 297 49 49 ALA CB C 18.337 0.200 . 298 50 50 GLY H H 8.382 0.002 . 299 50 50 GLY HA2 H 3.997 0.002 . 300 50 50 GLY HA3 H 3.939 0.002 . 301 50 50 GLY CA C 45.040 0.200 . 302 51 51 MET H H 7.967 0.002 . 303 51 51 MET HA H 4.447 0.002 . 304 51 51 MET HB2 H 2.157 0.002 . 305 51 51 MET HB3 H 2.157 0.002 . 306 51 51 MET HG2 H 2.698 0.002 . 307 51 51 MET HG3 H 2.647 0.002 . 308 51 51 MET CA C 56.804 0.200 . 309 51 51 MET CE C 16.455 0.200 . 310 52 52 ALA H H 8.158 0.002 . 311 52 52 ALA HA H 4.264 0.002 . 312 52 52 ALA HB H 1.581 0.002 . 313 52 52 ALA CA C 54.227 0.200 . 314 52 52 ALA CB C 16.762 0.200 . 315 53 53 ASP H H 7.768 0.002 . 316 53 53 ASP HA H 4.585 0.002 . 317 53 53 ASP HB2 H 2.831 0.002 . 318 53 53 ASP HB3 H 2.831 0.002 . 319 53 53 ASP CA C 54.316 0.200 . 320 54 54 SER H H 8.215 0.002 . 321 54 54 SER HA H 4.281 0.002 . 322 54 54 SER HB2 H 4.074 0.002 . 323 54 54 SER HB3 H 4.025 0.002 . 324 54 54 SER CA C 60.929 0.200 . 325 55 55 ASN H H 7.756 0.002 . 326 55 55 ASN HA H 4.839 0.002 . 327 55 55 ASN HB2 H 2.828 0.002 . 328 55 55 ASN HB3 H 2.621 0.002 . 329 55 55 ASN CA C 57.329 0.200 . 330 56 56 ASP H H 8.131 0.002 . 331 56 56 ASP HA H 4.408 0.002 . 332 56 56 ASP HB2 H 3.008 0.002 . 333 56 56 ASP HB3 H 2.713 0.002 . 334 56 56 ASP CA C 56.010 0.200 . 335 57 57 CYS H H 8.081 0.002 . 336 57 57 CYS HA H 4.592 0.002 . 337 57 57 CYS HB2 H 3.930 0.002 . 338 57 57 CYS HB3 H 2.931 0.002 . 339 58 58 PRO HA H 4.528 0.002 . 340 58 58 PRO HB2 H 2.283 0.002 . 341 58 58 PRO HB3 H 2.027 0.002 . 342 58 58 PRO HG2 H 2.124 0.002 . 343 58 58 PRO HG3 H 1.904 0.002 . 344 58 58 PRO HD2 H 4.041 0.002 . 345 58 58 PRO HD3 H 3.470 0.002 . 346 59 59 ASN H H 7.270 0.002 . 347 59 59 ASN HA H 4.808 0.002 . 348 59 59 ASN HB2 H 3.047 0.002 . 349 59 59 ASN HB3 H 2.956 0.002 . 350 59 59 ASN CA C 52.610 0.200 . 351 60 60 ALA H H 8.036 0.002 . 352 60 60 ALA HA H 4.040 0.002 . 353 60 60 ALA HB H 1.370 0.002 . 354 60 60 ALA CA C 53.352 0.200 . 355 60 60 ALA CB C 18.930 0.200 . stop_ save_