data_25804 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; muO-conotoxin MfVIA ; _BMRB_accession_number 25804 _BMRB_flat_file_name bmr25804.str _Entry_type original _Submission_date 2015-09-09 _Accession_date 2015-09-09 _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 Schroeder Christina I. . 2 Mobli Mehdi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 187 "13C chemical shifts" 98 "15N chemical shifts" 22 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-22 update BMRB 'update entry citation' 2016-04-04 original author 'original release' stop_ _Original_release_date 2016-04-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Development of a muO-conotoxin Analogue with Improved Lipid Membrane Interactions and Potency for the Analgesic Target NaV1.8 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27026701 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Deuis Jennifer R. . 2 Henriques Sonia T. . 3 Dekan Zoltan . . 4 Inserra Marco C. . 5 Craik David J. . 6 Lewis Richard J. . 7 Alewood Paul F. . 8 Mobli Mehdi . . 9 Schroeder Christina I. . 10 Vetter Irina . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 291 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11829 _Page_last 11842 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'muO-conotoxin MfVIA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 3656.417 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 32 _Mol_residue_sequence ; RDCQEKWEYCIVPILGFVYC CPGLICGPFVCV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ARG 2 2 ASP 3 3 CYS 4 4 GLN 5 5 GLU 6 6 LYS 7 7 TRP 8 8 GLU 9 9 TYR 10 10 CYS 11 11 ILE 12 12 VAL 13 13 PRO 14 14 ILE 15 15 LEU 16 16 GLY 17 17 PHE 18 18 VAL 19 19 TYR 20 20 CYS 21 21 CYS 22 22 PRO 23 23 GLY 24 24 LEU 25 25 ILE 26 26 CYS 27 27 GLY 28 28 PRO 29 29 PHE 30 30 VAL 31 31 CYS 32 32 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity . . . . . . 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 _Details $entity 'chemical synthesis' . . . . . 'Automated Fmoc solid-phase peptide synthesis' 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 $entity 10 mM 'natural abundance' H2O 70 % 'natural abundance' CD3CN 30 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'peak picking' 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'peak picking' 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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_13C_HSQC-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C HSQC-NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 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 water C 13 protons ppm 4.76 internal indirect . . . . water H 1 protons ppm 4.76 internal indirect . . . 1.0 water N 15 protons ppm 4.76 internal indirect . . . . 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-13C HSQC' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D 13C HSQC-NOESY' 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 entity _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 ARG HA H 3.969 0.000 . 2 1 1 ARG HB2 H 1.894 0.000 . 3 1 1 ARG HB3 H 1.894 0.000 . 4 1 1 ARG HG2 H 1.654 0.000 . 5 1 1 ARG HG3 H 1.654 0.000 . 6 1 1 ARG HD2 H 3.156 0.000 . 7 1 1 ARG HD3 H 3.156 0.000 . 8 1 1 ARG HE H 7.197 0.000 . 9 1 1 ARG CA C 55.492 0.000 . 10 1 1 ARG CB C 30.867 0.000 . 11 1 1 ARG CG C 26.457 0.000 . 12 1 1 ARG CD C 43.316 0.000 . 13 1 1 ARG NE N 113.868 0.000 . 14 2 2 ASP H H 8.669 0.000 . 15 2 2 ASP HA H 4.778 0.000 . 16 2 2 ASP HB2 H 2.806 0.000 . 17 2 2 ASP HB3 H 2.869 0.000 . 18 2 2 ASP CA C 52.775 0.000 . 19 2 2 ASP CB C 37.967 0.000 . 20 2 2 ASP N N 121.625 0.000 . 21 3 3 CYS H H 7.661 0.000 . 22 3 3 CYS HA H 4.790 0.000 . 23 3 3 CYS HB2 H 2.750 0.000 . 24 3 3 CYS HB3 H 3.099 0.000 . 25 3 3 CYS CA C 53.912 0.000 . 26 3 3 CYS CB C 43.345 0.000 . 27 3 3 CYS N N 113.713 0.000 . 28 4 4 GLN H H 8.770 0.000 . 29 4 4 GLN HA H 4.440 0.000 . 30 4 4 GLN HB2 H 1.807 0.000 . 31 4 4 GLN HB3 H 2.005 0.000 . 32 4 4 GLN HG2 H 1.890 0.001 . 33 4 4 GLN HG3 H 2.536 0.000 . 34 4 4 GLN HE21 H 6.306 0.000 . 35 4 4 GLN HE22 H 8.275 0.000 . 36 4 4 GLN CB C 32.094 0.000 . 37 4 4 GLN CG C 33.538 0.000 . 38 4 4 GLN N N 118.330 0.000 . 39 5 5 GLU H H 7.629 0.000 . 40 5 5 GLU HA H 4.043 0.000 . 41 5 5 GLU HB2 H 1.548 0.000 . 42 5 5 GLU HB3 H 2.189 0.000 . 43 5 5 GLU HG2 H 2.360 0.000 . 44 5 5 GLU HG3 H 2.490 0.000 . 45 5 5 GLU CA C 53.922 0.000 . 46 5 5 GLU CB C 29.327 0.000 . 47 5 5 GLU CG C 32.961 0.000 . 48 5 5 GLU N N 120.832 0.000 . 49 6 6 LYS H H 7.670 0.000 . 50 6 6 LYS HA H 3.151 0.000 . 51 6 6 LYS HB2 H 1.276 0.000 . 52 6 6 LYS HB3 H 1.276 0.000 . 53 6 6 LYS HG2 H 0.041 0.000 . 54 6 6 LYS HG3 H 0.550 0.000 . 55 6 6 LYS HD2 H 1.216 0.000 . 56 6 6 LYS HD3 H 1.216 0.000 . 57 6 6 LYS HE2 H 2.258 0.000 . 58 6 6 LYS HE3 H 2.477 0.000 . 59 6 6 LYS HZ H 7.359 0.000 . 60 6 6 LYS CA C 59.015 0.000 . 61 6 6 LYS CB C 32.388 0.000 . 62 6 6 LYS CG C 25.021 0.000 . 63 6 6 LYS CD C 29.675 0.000 . 64 6 6 LYS CE C 41.561 0.000 . 65 6 6 LYS N N 119.543 0.000 . 66 7 7 TRP H H 8.913 0.000 . 67 7 7 TRP HA H 4.048 0.000 . 68 7 7 TRP HB2 H 3.410 0.000 . 69 7 7 TRP HB3 H 3.670 0.001 . 70 7 7 TRP HD1 H 6.993 0.000 . 71 7 7 TRP HE1 H 9.952 0.000 . 72 7 7 TRP HE3 H 7.425 0.000 . 73 7 7 TRP HZ2 H 7.424 0.000 . 74 7 7 TRP HZ3 H 6.960 0.000 . 75 7 7 TRP HH2 H 7.131 0.000 . 76 7 7 TRP CA C 58.717 0.000 . 77 7 7 TRP CB C 27.295 0.000 . 78 7 7 TRP CD1 C 126.765 0.000 . 79 7 7 TRP CE3 C 121.058 0.000 . 80 7 7 TRP CZ2 C 114.185 0.000 . 81 7 7 TRP CZ3 C 121.584 0.000 . 82 7 7 TRP CH2 C 124.212 0.000 . 83 7 7 TRP N N 115.545 0.000 . 84 7 7 TRP NE1 N 127.049 0.000 . 85 8 8 GLU H H 7.779 0.000 . 86 8 8 GLU HA H 4.413 0.000 . 87 8 8 GLU HB2 H 2.068 0.000 . 88 8 8 GLU HB3 H 2.068 0.000 . 89 8 8 GLU HG2 H 2.234 0.000 . 90 8 8 GLU HG3 H 2.259 0.000 . 91 8 8 GLU CB C 29.536 0.000 . 92 8 8 GLU CG C 34.064 0.000 . 93 8 8 GLU N N 115.184 0.000 . 94 9 9 TYR H H 7.863 0.000 . 95 9 9 TYR HA H 4.924 0.000 . 96 9 9 TYR HB2 H 2.711 0.000 . 97 9 9 TYR HB3 H 3.032 0.000 . 98 9 9 TYR HD1 H 7.282 0.000 . 99 9 9 TYR HD2 H 7.282 0.000 . 100 9 9 TYR HE1 H 6.727 0.000 . 101 9 9 TYR HE2 H 6.727 0.000 . 102 9 9 TYR CA C 59.058 0.000 . 103 9 9 TYR CB C 39.219 0.000 . 104 9 9 TYR CD2 C 133.364 0.000 . 105 9 9 TYR CE2 C 117.947 0.000 . 106 9 9 TYR N N 118.021 0.000 . 107 10 10 CYS H H 8.273 0.000 . 108 10 10 CYS HA H 4.933 0.000 . 109 10 10 CYS HB2 H 2.457 0.000 . 110 10 10 CYS HB3 H 2.914 0.000 . 111 10 10 CYS CA C 54.821 0.000 . 112 10 10 CYS CB C 40.569 0.000 . 113 11 11 ILE H H 8.313 0.000 . 114 11 11 ILE HA H 4.410 0.000 . 115 11 11 ILE HB H 1.598 0.000 . 116 11 11 ILE HG12 H 0.937 0.000 . 117 11 11 ILE HG13 H 1.289 0.000 . 118 11 11 ILE HG2 H 0.747 0.000 . 119 11 11 ILE HD1 H 0.734 0.000 . 120 11 11 ILE CB C 42.112 0.000 . 121 11 11 ILE CG1 C 26.722 0.000 . 122 11 11 ILE CG2 C 17.847 0.000 . 123 11 11 ILE CD1 C 13.501 0.000 . 124 11 11 ILE N N 115.502 0.000 . 125 12 12 VAL H H 8.218 0.000 . 126 12 12 VAL HA H 4.521 0.000 . 127 12 12 VAL HB H 2.035 0.000 . 128 12 12 VAL HG1 H 0.869 0.000 . 129 12 12 VAL HG2 H 0.816 0.000 . 130 12 12 VAL CA C 57.736 0.000 . 131 12 12 VAL CB C 34.704 0.000 . 132 12 12 VAL CG1 C 21.426 0.000 . 133 12 12 VAL CG2 C 20.635 0.000 . 134 13 13 PRO HA H 4.119 0.000 . 135 13 13 PRO HB2 H 2.164 0.003 . 136 13 13 PRO HB3 H 1.796 0.000 . 137 13 13 PRO HG2 H 1.781 0.000 . 138 13 13 PRO HG3 H 1.388 0.000 . 139 13 13 PRO HD2 H 3.590 0.000 . 140 13 13 PRO HD3 H 3.654 0.000 . 141 13 13 PRO CA C 64.402 0.000 . 142 13 13 PRO CB C 31.742 0.000 . 143 13 13 PRO CG C 27.509 0.000 . 144 13 13 PRO CD C 50.568 0.000 . 145 14 14 ILE H H 7.703 0.000 . 146 14 14 ILE HA H 4.117 0.000 . 147 14 14 ILE HB H 1.378 0.000 . 148 14 14 ILE HG12 H 1.083 0.000 . 149 14 14 ILE HG13 H 1.388 0.000 . 150 14 14 ILE HG2 H 0.813 0.000 . 151 14 14 ILE HD1 H 0.820 0.000 . 152 14 14 ILE CA C 55.871 0.000 . 153 14 14 ILE CB C 42.329 0.000 . 154 14 14 ILE CG1 C 27.762 0.000 . 155 14 14 ILE CG2 C 17.629 0.000 . 156 14 14 ILE CD1 C 12.771 0.000 . 157 16 16 GLY H H 7.983 0.000 . 158 16 16 GLY HA2 H 4.068 0.000 . 159 16 16 GLY HA3 H 3.376 0.000 . 160 16 16 GLY CA C 45.406 0.000 . 161 16 16 GLY N N 106.027 0.000 . 162 17 17 PHE H H 7.690 0.000 . 163 17 17 PHE HA H 4.509 0.000 . 164 17 17 PHE HB2 H 2.788 0.003 . 165 17 17 PHE HB3 H 2.978 0.000 . 166 17 17 PHE HD1 H 7.146 0.000 . 167 17 17 PHE HD2 H 7.146 0.000 . 168 17 17 PHE HE1 H 6.724 0.000 . 169 17 17 PHE HE2 H 6.724 0.000 . 170 17 17 PHE CB C 39.503 0.000 . 171 17 17 PHE CD1 C 131.853 0.000 . 172 17 17 PHE CE1 C 133.353 0.000 . 173 18 18 VAL H H 7.549 0.000 . 174 18 18 VAL HA H 4.893 0.000 . 175 18 18 VAL HB H 1.681 0.006 . 176 18 18 VAL HG1 H 0.761 0.000 . 177 18 18 VAL HG2 H 0.592 0.000 . 178 18 18 VAL CA C 58.728 0.000 . 179 18 18 VAL CB C 35.994 0.000 . 180 18 18 VAL CG1 C 21.621 0.000 . 181 18 18 VAL CG2 C 21.562 0.000 . 182 19 19 TYR H H 7.528 0.000 . 183 19 19 TYR HA H 4.419 0.000 . 184 19 19 TYR HB2 H 2.770 0.000 . 185 19 19 TYR HB3 H 3.003 0.000 . 186 19 19 TYR HD1 H 6.975 0.000 . 187 19 19 TYR HD2 H 6.975 0.000 . 188 19 19 TYR HE1 H 6.665 0.000 . 189 19 19 TYR HE2 H 6.665 0.000 . 190 19 19 TYR CB C 39.210 0.000 . 191 19 19 TYR CD1 C 133.043 0.000 . 192 19 19 TYR CE2 C 117.939 0.000 . 193 20 20 CYS H H 8.399 0.000 . 194 20 20 CYS HA H 4.912 0.000 . 195 20 20 CYS HB2 H 2.477 0.000 . 196 20 20 CYS HB3 H 2.940 0.006 . 197 20 20 CYS CA C 55.045 0.000 . 198 20 20 CYS CB C 40.529 0.000 . 199 21 21 CYS H H 9.291 0.000 . 200 21 21 CYS HA H 4.628 0.000 . 201 21 21 CYS HB2 H 2.220 0.000 . 202 21 21 CYS HB3 H 3.192 0.000 . 203 21 21 CYS CA C 53.306 0.000 . 204 21 21 CYS CB C 37.726 0.000 . 205 21 21 CYS N N 121.142 0.000 . 206 22 22 PRO HA H 4.216 0.000 . 207 22 22 PRO HB2 H 2.228 0.000 . 208 22 22 PRO HB3 H 1.724 0.000 . 209 22 22 PRO HG2 H 1.959 0.000 . 210 22 22 PRO HG3 H 2.051 0.000 . 211 22 22 PRO HD2 H 3.503 0.000 . 212 22 22 PRO HD3 H 3.842 0.000 . 213 22 22 PRO CA C 64.242 0.000 . 214 22 22 PRO CB C 31.749 0.000 . 215 22 22 PRO CG C 27.773 0.000 . 216 22 22 PRO CD C 50.470 0.000 . 217 23 23 GLY H H 8.603 0.000 . 218 23 23 GLY HA2 H 4.205 0.000 . 219 23 23 GLY HA3 H 3.425 0.000 . 220 23 23 GLY CA C 44.618 0.000 . 221 23 23 GLY N N 111.521 0.000 . 222 24 24 LEU H H 7.774 0.000 . 223 24 24 LEU HA H 4.706 0.000 . 224 24 24 LEU HB2 H 1.013 0.000 . 225 24 24 LEU HB3 H 2.021 0.000 . 226 24 24 LEU HG H 1.244 0.000 . 227 24 24 LEU HD1 H 0.659 0.000 . 228 24 24 LEU HD2 H 0.487 0.000 . 229 24 24 LEU CA C 52.692 0.000 . 230 24 24 LEU CB C 44.385 0.000 . 231 24 24 LEU CG C 26.543 0.000 . 232 24 24 LEU CD1 C 26.778 0.000 . 233 24 24 LEU CD2 C 22.960 0.000 . 234 24 24 LEU N N 119.440 0.000 . 235 25 25 ILE H H 8.265 0.000 . 236 25 25 ILE HA H 4.438 0.000 . 237 25 25 ILE HB H 1.625 0.000 . 238 25 25 ILE HG12 H 0.931 0.000 . 239 25 25 ILE HG13 H 1.263 0.000 . 240 25 25 ILE HG2 H 0.745 0.000 . 241 25 25 ILE HD1 H 0.745 0.000 . 242 25 25 ILE CB C 42.336 0.000 . 243 25 25 ILE CG1 C 26.785 0.000 . 244 25 25 ILE CG2 C 17.558 0.000 . 245 25 25 ILE CD1 C 13.343 0.000 . 246 25 25 ILE N N 114.487 0.000 . 247 26 26 CYS H H 8.668 0.000 . 248 26 26 CYS HA H 4.624 0.000 . 249 26 26 CYS HB2 H 2.936 0.000 . 250 26 26 CYS HB3 H 2.987 0.000 . 251 26 26 CYS CA C 55.914 0.000 . 252 26 26 CYS CB C 39.778 0.000 . 253 26 26 CYS N N 123.741 0.000 . 254 27 27 GLY H H 8.330 0.000 . 255 27 27 GLY HA2 H 4.396 0.000 . 256 27 27 GLY HA3 H 3.623 0.000 . 257 27 27 GLY CA C 43.012 0.000 . 258 27 27 GLY N N 118.253 0.000 . 259 28 28 PRO HA H 4.490 0.000 . 260 28 28 PRO HB2 H 2.282 0.000 . 261 28 28 PRO HB3 H 1.772 0.000 . 262 28 28 PRO HG2 H 1.974 0.004 . 263 28 28 PRO HG3 H 2.053 0.006 . 264 28 28 PRO HD2 H 3.611 0.000 . 265 28 28 PRO HD3 H 3.611 0.000 . 266 28 28 PRO CA C 62.587 0.000 . 267 28 28 PRO CB C 27.868 0.000 . 268 28 28 PRO CG C 27.520 0.000 . 269 28 28 PRO CD C 50.176 0.000 . 270 29 29 PHE H H 8.257 0.000 . 271 29 29 PHE HA H 3.643 0.000 . 272 29 29 PHE HB2 H 3.508 0.000 . 273 29 29 PHE HB3 H 3.634 0.000 . 274 29 29 PHE HD1 H 7.254 0.000 . 275 29 29 PHE HD2 H 7.254 0.000 . 276 29 29 PHE HE1 H 7.318 0.000 . 277 29 29 PHE HE2 H 7.318 0.000 . 278 29 29 PHE CA C 50.361 0.000 . 279 29 29 PHE CB C 37.549 0.000 . 280 29 29 PHE N N 110.773 0.000 . 281 30 30 VAL H H 6.842 0.000 . 282 30 30 VAL HA H 4.998 0.000 . 283 30 30 VAL HB H 1.602 0.000 . 284 30 30 VAL HG1 H 0.597 0.000 . 285 30 30 VAL HG2 H 0.710 0.000 . 286 30 30 VAL CA C 58.219 0.000 . 287 30 30 VAL CB C 36.646 0.000 . 288 30 30 VAL CG1 C 21.553 0.000 . 289 30 30 VAL CG2 C 21.559 0.000 . 290 30 30 VAL N N 108.125 0.000 . 291 31 31 CYS H H 8.515 0.000 . 292 31 31 CYS HA H 4.931 0.000 . 293 31 31 CYS HB2 H 2.464 0.000 . 294 31 31 CYS HB3 H 3.013 0.000 . 295 31 31 CYS CA C 55.292 0.000 . 296 31 31 CYS CB C 40.733 0.000 . 297 31 31 CYS N N 121.703 0.000 . 298 32 32 VAL H H 9.485 0.000 . 299 32 32 VAL HA H 4.226 0.000 . 300 32 32 VAL HB H 2.063 0.000 . 301 32 32 VAL HG1 H 0.810 0.000 . 302 32 32 VAL HG2 H 0.740 0.000 . 303 32 32 VAL CA C 59.273 0.000 . 304 32 32 VAL CB C 34.730 0.000 . 305 32 32 VAL CG1 C 23.298 0.000 . 306 32 32 VAL CG2 C 21.940 0.000 . 307 32 32 VAL N N 117.995 0.000 . stop_ save_