data_19911 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HP24wt derived from the villin headpiece subdomain ; _BMRB_accession_number 19911 _BMRB_flat_file_name bmr19911.str _Entry_type original _Submission_date 2014-04-16 _Accession_date 2014-04-16 _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 Hocking Henry G. . 2 Haese F. . . 3 Madl T. . . 4 Zacharias M. . . 5 Rief M. . . 6 Zoldak G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 127 "13C chemical shifts" 73 "15N chemical shifts" 18 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-02-16 original author . stop_ _Original_release_date 2015-02-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A new minimal native-like compact supersecondary substructure HP24stab derived from the villin headpiece subdomain' _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 Hocking Henry G. . 2 Haese F. . . 3 Madl T. . . 4 Zacharias M. . . 5 Rief M. . . 6 Zoldak G. . . stop_ _Journal_abbreviation 'To Be Published' _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 'HP24wt derived from the villin headpiece subdomain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label VILLIN-1 $VILLIN-1 stop_ _System_molecular_weight 2894.4654 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_VILLIN-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common VILLIN-1 _Molecular_mass 2894.4654 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 26 _Mol_residue_sequence ; XMTRSAFANLPLWKQQNLKK EKGLFX ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 52 ACE 2 53 MET 3 54 THR 4 55 ARG 5 56 SER 6 57 ALA 7 58 PHE 8 59 ALA 9 60 ASN 10 61 LEU 11 62 PRO 12 63 LEU 13 64 TRP 14 65 LYS 15 66 GLN 16 67 GLN 17 68 ASN 18 69 LEU 19 70 LYS 20 71 LYS 21 72 GLU 22 73 LYS 23 74 GLY 24 75 LEU 25 76 PHE 26 77 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 11519 protein 92.31 36 100.00 100.00 2.82e-07 BMRB 11520 protein 92.31 36 100.00 100.00 2.82e-07 BMRB 11521 protein 92.31 36 100.00 100.00 2.82e-07 BMRB 15097 D6-HP 92.31 208 100.00 100.00 8.92e-07 BMRB 17698 HP67_H41F 92.31 67 100.00 100.00 2.98e-07 BMRB 4428 "HEADPIECE DOMAIN FROM CHICKEN VILLIN" 92.31 67 100.00 100.00 2.65e-07 PDB 1QQV "Solution Structure Of The Headpiece Domain Of Chicken Villin" 92.31 67 100.00 100.00 2.65e-07 PDB 1VII "Thermostable Subdomain From Chicken Villin Headpiece, Nmr, Minimized Average Structure" 92.31 36 100.00 100.00 2.82e-07 PDB 1YU5 "Crystal Structure Of The Headpiece Domain Of Chicken Villin" 92.31 67 100.00 100.00 2.65e-07 PDB 1YU8 "Crystal Structure Of The R37a Mutant Of Villin Headpiece" 92.31 67 100.00 100.00 2.62e-07 PDB 2RJV "Crystal Structure Of The H41y Mutant Of Villin Headpiece, P 21 21 21 Space Group" 92.31 67 100.00 100.00 2.68e-07 PDB 2RJW "The Crystal Structure Of The H41y Mutant Of Villin Headpiece, P61 Space Group" 92.31 67 100.00 100.00 2.68e-07 PDB 2RJX "Crystal Structure Of The Headpiece Domain Of Chicken Villin, P61 Space Group" 92.31 67 100.00 100.00 2.65e-07 PDB 2RJY "Crystal Structure Of Villin Headpiece, P21 21 21 Space Group" 92.31 67 100.00 100.00 2.65e-07 PDB 3MYA "Crystal Structure Of Hp67 H41f - P61" 92.31 67 100.00 100.00 2.98e-07 PDB 3MYC "Crystal Structure Of Hp67 H41f - P212121" 92.31 67 100.00 100.00 2.98e-07 PDB 4CZ3 "Hp24wt Derived From The Villin Headpiece Subdomain" 92.31 26 100.00 100.00 4.10e-07 GB AAA49133 "villin [Gallus gallus]" 92.31 826 100.00 100.00 3.02e-06 REF NP_990773 "villin-1 [Gallus gallus]" 92.31 826 100.00 100.00 3.02e-06 REF XP_003207697 "PREDICTED: villin-1 [Meleagris gallopavo]" 92.31 826 100.00 100.00 2.33e-06 REF XP_010711916 "PREDICTED: villin-1 [Meleagris gallopavo]" 92.31 826 100.00 100.00 2.33e-06 REF XP_010711917 "PREDICTED: villin-1 [Meleagris gallopavo]" 92.31 826 100.00 100.00 2.33e-06 SP P02640 "RecName: Full=Villin-1" 92.31 826 100.00 100.00 3.02e-06 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_ACE _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'ACETYL GROUP' _BMRB_code ACE _PDB_code ACE _Standard_residue_derivative . _Molecular_mass 44.053 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . 0 . ? O O O . 0 . ? CH3 CH3 C . 0 . ? H H H . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C O ? ? SING C CH3 ? ? SING C H ? ? SING CH3 H1 ? ? SING CH3 H2 ? ? SING CH3 H3 ? ? stop_ save_ save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'AMINO GROUP' _BMRB_code NH2 _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N HN1 ? ? SING N HN2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $VILLIN-1 chicken 9031 Eukaryota Metazoa Gallus gallus 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 $VILLIN-1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 3mM loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $VILLIN-1 3 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task collection stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version any loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'RECOORD CNS scripts' save_ save_CYANA _Saveframe_category software _Name CYANA _Version any loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-500 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [7.5], temp [288], pressure [0.0], ionStrength [50.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50.000 . mM pH 7.500 . pH pressure 1 . atm temperature 288.000 . 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 42.810253 internal indirect . . . 0.934318235962 water H 1 protons ppm 4.762285 internal indirect . . . 0.978027840056 water N 15 protons ppm 119.128595 internal indirect . . . 0.998800000000 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 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4cz3/ebi/HP24wtNmrStar_5.csh' loop_ _Experiment_label NOESY TOCSY 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 VILLIN-1 _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 52 1 ACE H1 H 2.081 . 1 2 52 1 ACE H2 H 2.081 . 1 3 52 1 ACE H3 H 2.081 . 1 4 52 1 ACE CH3 C 24.541 . 1 5 53 2 MET H H 8.406 . 1 6 53 2 MET HA H 4.516 . 1 7 53 2 MET HB2 H 2.060 . 1 8 53 2 MET HB3 H 2.094 . 1 9 53 2 MET HG2 H 2.632 . 1 10 53 2 MET HG3 H 2.632 . 1 11 53 2 MET HE H 2.126 . 1 12 53 2 MET CA C 55.901 . 1 13 53 2 MET CB C 33.205 0.001 1 14 53 2 MET CG C 32.079 . 1 15 53 2 MET CE C 16.993 . 1 16 53 2 MET N N 126.070 . 1 17 54 3 THR H H 8.181 . 1 18 54 3 THR HA H 4.410 . 1 19 54 3 THR HB H 4.319 . 1 20 54 3 THR HG2 H 1.263 . 1 21 54 3 THR CA C 61.790 . 1 22 54 3 THR CB C 70.096 . 1 23 54 3 THR CG2 C 21.708 . 1 24 54 3 THR N N 115.502 . 1 25 55 4 ARG HA H 4.332 . 1 26 55 4 ARG HB2 H 1.814 . 2 27 55 4 ARG HB3 H 1.897 . 2 28 55 4 ARG HG2 H 1.630 . 1 29 55 4 ARG HG3 H 1.630 . 1 30 55 4 ARG HD2 H 3.212 . 1 31 55 4 ARG HD3 H 3.212 . 1 32 55 4 ARG CA C 56.735 . 1 33 55 4 ARG CB C 30.720 0.004 1 34 55 4 ARG CG C 27.129 . 1 35 55 4 ARG CD C 43.380 . 1 36 56 5 SER HA H 4.384 . 1 37 56 5 SER HB2 H 3.898 . 2 38 56 5 SER HB3 H 3.837 . 2 39 56 5 SER CA C 58.845 . 1 40 56 5 SER CB C 63.695 0.002 1 41 57 6 ALA HA H 4.239 . 1 42 57 6 ALA HB H 1.309 . 1 43 57 6 ALA CA C 53.304 . 1 44 57 6 ALA CB C 18.992 . 1 45 58 7 PHE H H 8.073 . 1 46 58 7 PHE HA H 4.508 . 1 47 58 7 PHE HB2 H 3.174 . 2 48 58 7 PHE HB3 H 3.019 . 2 49 58 7 PHE CA C 58.240 . 1 50 58 7 PHE CB C 39.524 0.042 1 51 58 7 PHE N N 118.554 . 1 52 59 8 ALA H H 7.940 . 1 53 59 8 ALA HA H 4.201 . 1 54 59 8 ALA HB H 1.397 . 1 55 59 8 ALA CA C 53.089 . 1 56 59 8 ALA CB C 19.181 . 1 57 59 8 ALA N N 122.927 . 1 58 60 9 ASN H H 8.071 . 1 59 60 9 ASN HA H 4.702 . 1 60 60 9 ASN HB2 H 2.896 . 2 61 60 9 ASN HB3 H 2.716 . 2 62 60 9 ASN CA C 53.029 . 1 63 60 9 ASN CB C 38.899 0.001 1 64 60 9 ASN N N 116.001 . 1 65 61 10 LEU H H 7.884 . 1 66 61 10 LEU HA H 4.564 . 1 67 61 10 LEU HB2 H 1.634 . 2 68 61 10 LEU HB3 H 1.408 . 2 69 61 10 LEU HG H 1.711 . 1 70 61 10 LEU HD1 H 0.876 . 2 71 61 10 LEU HD2 H 0.879 . 2 72 61 10 LEU CA C 53.507 . 1 73 61 10 LEU CB C 41.967 0.004 1 74 61 10 LEU CG C 26.836 . 1 75 61 10 LEU CD1 C 23.397 . 2 76 61 10 LEU CD2 C 25.561 . 2 77 61 10 LEU N N 122.968 . 1 78 62 11 PRO HA H 4.381 . 1 79 62 11 PRO HB2 H 2.221 . 2 80 62 11 PRO HB3 H 1.428 . 2 81 62 11 PRO HG2 H 1.798 . 2 82 62 11 PRO HG3 H 2.026 . 2 83 62 11 PRO HD2 H 3.844 . 2 84 62 11 PRO HD3 H 3.461 . 2 85 62 11 PRO CA C 63.112 . 1 86 62 11 PRO CB C 32.007 0.003 1 87 62 11 PRO CG C 27.695 . 1 88 62 11 PRO CD C 50.474 0.001 1 89 63 12 LEU H H 8.423 . 1 90 63 12 LEU HA H 4.096 . 1 91 63 12 LEU HB2 H 1.679 . 1 92 63 12 LEU HB3 H 1.679 . 1 93 63 12 LEU HD1 H 0.960 . 2 94 63 12 LEU HD2 H 0.908 . 2 95 63 12 LEU CA C 57.164 . 1 96 63 12 LEU CB C 41.886 . 1 97 63 12 LEU CD1 C 24.517 . 2 98 63 12 LEU CD2 C 24.013 . 2 99 63 12 LEU N N 122.522 . 1 100 64 13 TRP H H 7.859 . 1 101 64 13 TRP HA H 4.558 . 1 102 64 13 TRP HB2 H 3.419 . 2 103 64 13 TRP HB3 H 3.343 . 2 104 64 13 TRP HE1 H 10.336 . 1 105 64 13 TRP CA C 58.335 . 1 106 64 13 TRP CB C 28.425 0.001 1 107 64 13 TRP N N 117.881 . 1 108 64 13 TRP NE1 N 130.107 . 1 109 65 14 LYS H H 7.337 . 1 110 65 14 LYS HA H 4.069 . 1 111 65 14 LYS HB2 H 1.660 . 2 112 65 14 LYS HB3 H 1.300 . 2 113 65 14 LYS HG2 H 1.046 . 1 114 65 14 LYS HG3 H 1.011 . 1 115 65 14 LYS HD2 H 1.558 . 1 116 65 14 LYS HD3 H 1.558 . 1 117 65 14 LYS HE2 H 2.918 . 1 118 65 14 LYS HE3 H 2.918 . 1 119 65 14 LYS CA C 57.250 . 1 120 65 14 LYS CB C 32.917 . 1 121 65 14 LYS CG C 24.906 . 1 122 65 14 LYS CD C 29.264 . 1 123 65 14 LYS CE C 42.141 . 1 124 65 14 LYS N N 121.770 . 1 125 66 15 GLN H H 7.894 . 1 126 66 15 GLN HA H 4.058 . 1 127 66 15 GLN HB2 H 2.065 . 1 128 66 15 GLN HB3 H 2.065 . 1 129 66 15 GLN HG2 H 2.307 . 2 130 66 15 GLN HG3 H 2.116 . 2 131 66 15 GLN CA C 57.316 . 1 132 66 15 GLN CB C 29.102 . 1 133 66 15 GLN CG C 33.989 0.003 1 134 66 15 GLN N N 119.768 . 1 135 67 16 GLN H H 8.226 . 1 136 67 16 GLN HA H 4.233 . 1 137 67 16 GLN HB2 H 2.098 . 1 138 67 16 GLN HB3 H 2.098 . 1 139 67 16 GLN HG2 H 2.446 . 2 140 67 16 GLN HG3 H 2.394 . 2 141 67 16 GLN CA C 56.886 . 1 142 67 16 GLN CB C 29.210 . 1 143 67 16 GLN CG C 33.938 0.006 1 144 67 16 GLN N N 119.028 . 1 145 68 17 ASN H H 8.150 . 1 146 68 17 ASN HA H 4.680 . 1 147 68 17 ASN HB2 H 2.866 . 2 148 68 17 ASN HB3 H 2.750 . 2 149 68 17 ASN CA C 54.027 . 1 150 68 17 ASN CB C 38.740 0.001 1 151 68 17 ASN N N 121.037 . 1 152 69 18 LEU H H 8.092 . 1 153 69 18 LEU HA H 4.326 . 1 154 69 18 LEU HB2 H 1.626 . 2 155 69 18 LEU HB3 H 1.753 . 2 156 69 18 LEU HG H 1.682 . 1 157 69 18 LEU HD1 H 0.908 . 2 158 69 18 LEU HD2 H 0.933 . 2 159 69 18 LEU CA C 55.967 . 1 160 69 18 LEU CB C 42.372 0.006 1 161 69 18 LEU CG C 27.154 . 1 162 69 18 LEU CD1 C 23.373 . 2 163 69 18 LEU CD2 C 25.300 . 2 164 69 18 LEU N N 121.918 . 1 165 71 20 LYS HA H 4.308 . 1 166 71 20 LYS HB2 H 1.835 . 2 167 71 20 LYS HB3 H 1.900 . 2 168 71 20 LYS HG2 H 1.527 . 1 169 71 20 LYS HG3 H 1.527 . 1 170 71 20 LYS HD2 H 1.720 . 1 171 71 20 LYS HD3 H 1.720 . 1 172 71 20 LYS HE2 H 3.022 . 1 173 71 20 LYS HE3 H 3.022 . 1 174 71 20 LYS CA C 56.823 . 1 175 71 20 LYS CB C 32.832 0.004 1 176 71 20 LYS CG C 24.956 . 1 177 71 20 LYS CD C 29.213 . 1 178 71 20 LYS CE C 42.216 . 1 179 72 21 GLU HA H 4.295 . 1 180 72 21 GLU HB2 H 2.010 . 2 181 72 21 GLU HB3 H 2.098 . 2 182 72 21 GLU HG2 H 2.320 . 1 183 72 21 GLU HG3 H 2.320 . 1 184 72 21 GLU CA C 56.883 . 1 185 72 21 GLU CB C 30.358 . 1 186 72 21 GLU CG C 36.337 . 1 187 73 22 LYS H H 8.164 . 1 188 73 22 LYS HA H 4.275 . 1 189 73 22 LYS HG2 H 1.438 . 1 190 73 22 LYS HG3 H 1.438 . 1 191 73 22 LYS CA C 56.936 . 1 192 73 22 LYS CG C 24.915 . 1 193 73 22 LYS N N 121.978 . 1 194 74 23 GLY H H 8.350 . 1 195 74 23 GLY HA2 H 3.950 . 1 196 74 23 GLY HA3 H 3.950 . 1 197 74 23 GLY CA C 45.455 . 1 198 74 23 GLY N N 109.387 . 1 199 75 24 LEU H H 8.033 . 1 200 75 24 LEU HA H 4.251 . 1 201 75 24 LEU HB2 H 1.470 . 2 202 75 24 LEU HB3 H 1.369 . 2 203 75 24 LEU HG H 1.477 . 1 204 75 24 LEU HD1 H 0.823 . 2 205 75 24 LEU HD2 H 0.884 . 2 206 75 24 LEU CA C 55.554 . 1 207 75 24 LEU CB C 42.421 0.001 1 208 75 24 LEU CG C 26.906 . 1 209 75 24 LEU CD1 C 23.534 . 2 210 75 24 LEU CD2 C 24.900 . 2 211 75 24 LEU N N 121.679 . 1 212 76 25 PHE H H 8.170 . 1 213 76 25 PHE HA H 4.638 . 1 214 76 25 PHE HB2 H 3.245 . 2 215 76 25 PHE HB3 H 2.993 . 2 216 76 25 PHE CA C 57.359 . 1 217 76 25 PHE CB C 39.519 0.04 1 218 76 25 PHE N N 120.058 . 1 stop_ save_