data_11170 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 631-663) of human Zinc finger protein 484 ; _BMRB_accession_number 11170 _BMRB_flat_file_name bmr11170.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 216 "13C chemical shifts" 156 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C2H2 type zinc finger (region 631-663) of human Zinc finger protein 484 ; _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 Tochio N. . . 2 Tomizawa T. . . 3 Abe H. . . 4 Saito K. . . 5 Li H. . . 6 Sato M. . . 7 Koshiba S. . . 8 Kobayashi N. . . 9 Kigawa T. . . 10 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'Zinc finger protein 484' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2, UNP residues 631-663' $entity_1 'ZINC ION' $ZN 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'zf-C2H2, UNP residues 631-663' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYRCAECGK AFTDRSNLFTHQKIHTGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLY 10 GLU 11 LYS 12 PRO 13 TYR 14 ARG 15 CYS 16 ALA 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 THR 24 ASP 25 ARG 26 SER 27 ASN 28 LEU 29 PHE 30 THR 31 HIS 32 GLN 33 LYS 34 ILE 35 HIS 36 THR 37 GLY 38 GLU 39 LYS 40 PRO 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2EP3 "Solution Structure Of The C2h2 Type Zinc Finger (Region 631- 663) Of Human Zinc Finger Protein 484" 100.00 46 100.00 100.00 1.37e-23 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_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_1 human 9606 Eukaryota Metazoa Homo sapiens 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 $entity_1 'cell free synthesis' . Escherichia coli . P070115-47 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; about 1.0mM sample {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 0.05mM {ZnCl2;} 1mM {IDA;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'zf-C2H2, UNP residues 631-663' _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 7 7 GLY HA2 H 4.020 0.030 1 2 7 7 GLY HA3 H 4.020 0.030 1 3 7 7 GLY C C 174.528 0.300 1 4 7 7 GLY CA C 45.392 0.300 1 5 8 8 THR H H 8.148 0.030 1 6 8 8 THR HA H 4.356 0.030 1 7 8 8 THR HB H 4.312 0.030 1 8 8 8 THR HG2 H 1.189 0.030 1 9 8 8 THR C C 175.231 0.300 1 10 8 8 THR CA C 61.732 0.300 1 11 8 8 THR CB C 69.735 0.300 1 12 8 8 THR CG2 C 21.432 0.300 1 13 8 8 THR N N 112.842 0.300 1 14 9 9 GLY H H 8.435 0.030 1 15 9 9 GLY HA2 H 3.947 0.030 2 16 9 9 GLY HA3 H 3.920 0.030 2 17 9 9 GLY C C 174.013 0.300 1 18 9 9 GLY CA C 45.240 0.300 1 19 9 9 GLY N N 110.961 0.300 1 20 10 10 GLU H H 8.204 0.030 1 21 10 10 GLU HA H 4.192 0.030 1 22 10 10 GLU HB2 H 1.966 0.030 2 23 10 10 GLU HB3 H 1.880 0.030 2 24 10 10 GLU HG2 H 2.242 0.030 2 25 10 10 GLU HG3 H 2.192 0.030 2 26 10 10 GLU C C 176.351 0.300 1 27 10 10 GLU CA C 56.685 0.300 1 28 10 10 GLU CB C 30.436 0.300 1 29 10 10 GLU CG C 36.248 0.300 1 30 10 10 GLU N N 120.371 0.300 1 31 11 11 LYS H H 8.334 0.030 1 32 11 11 LYS HA H 4.490 0.030 1 33 11 11 LYS HB2 H 1.569 0.030 2 34 11 11 LYS HB3 H 1.470 0.030 2 35 11 11 LYS HD2 H 1.485 0.030 1 36 11 11 LYS HD3 H 1.485 0.030 1 37 11 11 LYS HE2 H 2.899 0.030 1 38 11 11 LYS HE3 H 2.899 0.030 1 39 11 11 LYS HG2 H 1.327 0.030 2 40 11 11 LYS HG3 H 1.203 0.030 2 41 11 11 LYS C C 174.195 0.300 1 42 11 11 LYS CA C 53.965 0.300 1 43 11 11 LYS CB C 32.996 0.300 1 44 11 11 LYS CD C 29.427 0.300 1 45 11 11 LYS CE C 42.292 0.300 1 46 11 11 LYS CG C 24.923 0.300 1 47 11 11 LYS N N 122.172 0.300 1 48 12 12 PRO HA H 4.256 0.030 1 49 12 12 PRO HB2 H 1.223 0.030 2 50 12 12 PRO HB3 H 2.020 0.030 2 51 12 12 PRO HD2 H 3.636 0.030 1 52 12 12 PRO HD3 H 3.636 0.030 1 53 12 12 PRO HG2 H 1.822 0.030 2 54 12 12 PRO HG3 H 1.618 0.030 2 55 12 12 PRO C C 176.496 0.300 1 56 12 12 PRO CA C 63.513 0.300 1 57 12 12 PRO CB C 32.218 0.300 1 58 12 12 PRO CD C 50.434 0.300 1 59 12 12 PRO CG C 26.694 0.300 1 60 13 13 TYR H H 7.789 0.030 1 61 13 13 TYR HA H 4.684 0.030 1 62 13 13 TYR HB2 H 2.770 0.030 2 63 13 13 TYR HB3 H 2.962 0.030 2 64 13 13 TYR HD1 H 6.969 0.030 1 65 13 13 TYR HD2 H 6.969 0.030 1 66 13 13 TYR HE1 H 6.875 0.030 1 67 13 13 TYR HE2 H 6.875 0.030 1 68 13 13 TYR C C 174.549 0.300 1 69 13 13 TYR CA C 57.319 0.300 1 70 13 13 TYR CB C 38.774 0.300 1 71 13 13 TYR CD1 C 133.035 0.300 1 72 13 13 TYR CD2 C 133.035 0.300 1 73 13 13 TYR CE1 C 118.346 0.300 1 74 13 13 TYR CE2 C 118.346 0.300 1 75 13 13 TYR N N 118.177 0.300 1 76 14 14 ARG H H 8.647 0.030 1 77 14 14 ARG HA H 5.061 0.030 1 78 14 14 ARG HB2 H 1.605 0.030 1 79 14 14 ARG HB3 H 1.605 0.030 1 80 14 14 ARG HD2 H 3.133 0.030 2 81 14 14 ARG HD3 H 3.100 0.030 2 82 14 14 ARG HG2 H 1.380 0.030 2 83 14 14 ARG HG3 H 1.320 0.030 2 84 14 14 ARG C C 175.118 0.300 1 85 14 14 ARG CA C 54.766 0.300 1 86 14 14 ARG CB C 33.181 0.300 1 87 14 14 ARG CD C 43.327 0.300 1 88 14 14 ARG CG C 27.548 0.300 1 89 14 14 ARG N N 123.799 0.300 1 90 15 15 CYS H H 9.243 0.030 1 91 15 15 CYS HA H 4.500 0.030 1 92 15 15 CYS HB2 H 3.413 0.030 2 93 15 15 CYS HB3 H 2.894 0.030 2 94 15 15 CYS C C 176.984 0.300 1 95 15 15 CYS CA C 59.540 0.300 1 96 15 15 CYS CB C 29.702 0.300 1 97 15 15 CYS N N 127.280 0.300 1 98 16 16 ALA H H 9.379 0.030 1 99 16 16 ALA HA H 4.172 0.030 1 100 16 16 ALA HB H 1.529 0.030 1 101 16 16 ALA C C 178.164 0.300 1 102 16 16 ALA CA C 54.597 0.300 1 103 16 16 ALA CB C 18.876 0.300 1 104 16 16 ALA N N 134.948 0.300 1 105 17 17 GLU H H 8.577 0.030 1 106 17 17 GLU HA H 4.173 0.030 1 107 17 17 GLU HB2 H 1.396 0.030 2 108 17 17 GLU HB3 H 1.327 0.030 2 109 17 17 GLU HG2 H 1.882 0.030 2 110 17 17 GLU HG3 H 1.763 0.030 2 111 17 17 GLU C C 177.252 0.300 1 112 17 17 GLU CA C 58.326 0.300 1 113 17 17 GLU CB C 29.491 0.300 1 114 17 17 GLU CG C 35.589 0.300 1 115 17 17 GLU N N 118.449 0.300 1 116 18 18 CYS H H 7.911 0.030 1 117 18 18 CYS HA H 5.175 0.030 1 118 18 18 CYS HB2 H 3.441 0.030 2 119 18 18 CYS HB3 H 2.836 0.030 2 120 18 18 CYS C C 176.350 0.300 1 121 18 18 CYS CA C 58.311 0.300 1 122 18 18 CYS CB C 32.525 0.300 1 123 18 18 CYS N N 114.463 0.300 1 124 19 19 GLY H H 8.235 0.030 1 125 19 19 GLY HA2 H 3.777 0.030 2 126 19 19 GLY HA3 H 4.252 0.030 2 127 19 19 GLY C C 173.685 0.300 1 128 19 19 GLY CA C 46.160 0.300 1 129 19 19 GLY N N 113.718 0.300 1 130 20 20 LYS H H 8.008 0.030 1 131 20 20 LYS HA H 3.940 0.030 1 132 20 20 LYS HB2 H 1.215 0.030 2 133 20 20 LYS HB3 H 1.475 0.030 2 134 20 20 LYS HD2 H 1.514 0.030 2 135 20 20 LYS HD3 H 1.405 0.030 2 136 20 20 LYS HE2 H 2.964 0.030 2 137 20 20 LYS HE3 H 2.890 0.030 2 138 20 20 LYS HG2 H 1.389 0.030 2 139 20 20 LYS HG3 H 1.033 0.030 2 140 20 20 LYS C C 173.761 0.300 1 141 20 20 LYS CA C 58.350 0.300 1 142 20 20 LYS CB C 33.612 0.300 1 143 20 20 LYS CD C 29.382 0.300 1 144 20 20 LYS CE C 42.187 0.300 1 145 20 20 LYS CG C 26.128 0.300 1 146 20 20 LYS N N 123.490 0.300 1 147 21 21 ALA H H 7.871 0.030 1 148 21 21 ALA HA H 5.131 0.030 1 149 21 21 ALA HB H 1.202 0.030 1 150 21 21 ALA C C 176.184 0.300 1 151 21 21 ALA CA C 50.516 0.300 1 152 21 21 ALA CB C 22.126 0.300 1 153 21 21 ALA N N 124.524 0.300 1 154 22 22 PHE H H 8.726 0.030 1 155 22 22 PHE HA H 4.731 0.030 1 156 22 22 PHE HB2 H 3.393 0.030 2 157 22 22 PHE HB3 H 2.638 0.030 2 158 22 22 PHE HD1 H 7.239 0.030 1 159 22 22 PHE HD2 H 7.239 0.030 1 160 22 22 PHE HE1 H 6.843 0.030 1 161 22 22 PHE HE2 H 6.843 0.030 1 162 22 22 PHE HZ H 6.258 0.030 1 163 22 22 PHE C C 175.397 0.300 1 164 22 22 PHE CA C 57.441 0.300 1 165 22 22 PHE CB C 43.835 0.300 1 166 22 22 PHE CD1 C 132.314 0.300 1 167 22 22 PHE CD2 C 132.314 0.300 1 168 22 22 PHE CE1 C 130.728 0.300 1 169 22 22 PHE CE2 C 130.728 0.300 1 170 22 22 PHE CZ C 128.811 0.300 1 171 22 22 PHE N N 116.786 0.300 1 172 23 23 THR H H 8.953 0.030 1 173 23 23 THR HA H 4.410 0.030 1 174 23 23 THR HB H 4.403 0.030 1 175 23 23 THR HG2 H 1.351 0.030 1 176 23 23 THR C C 173.894 0.300 1 177 23 23 THR CA C 64.093 0.300 1 178 23 23 THR CB C 69.539 0.300 1 179 23 23 THR CG2 C 22.449 0.300 1 180 23 23 THR N N 113.251 0.300 1 181 24 24 ASP H H 7.651 0.030 1 182 24 24 ASP HA H 4.873 0.030 1 183 24 24 ASP HB2 H 2.802 0.030 2 184 24 24 ASP HB3 H 2.719 0.030 2 185 24 24 ASP C C 175.341 0.300 1 186 24 24 ASP CA C 52.705 0.300 1 187 24 24 ASP CB C 43.827 0.300 1 188 24 24 ASP N N 118.355 0.300 1 189 25 25 ARG H H 8.411 0.030 1 190 25 25 ARG HA H 3.065 0.030 1 191 25 25 ARG HB2 H 1.303 0.030 2 192 25 25 ARG HB3 H 1.126 0.030 2 193 25 25 ARG HD2 H 2.999 0.030 1 194 25 25 ARG HD3 H 2.999 0.030 1 195 25 25 ARG HG2 H 0.996 0.030 1 196 25 25 ARG HG3 H 0.996 0.030 1 197 25 25 ARG C C 177.679 0.300 1 198 25 25 ARG CA C 59.130 0.300 1 199 25 25 ARG CB C 29.733 0.300 1 200 25 25 ARG CD C 43.391 0.300 1 201 25 25 ARG CG C 27.337 0.300 1 202 25 25 ARG N N 124.068 0.300 1 203 26 26 SER H H 8.381 0.030 1 204 26 26 SER HA H 4.104 0.030 1 205 26 26 SER HB2 H 3.867 0.030 1 206 26 26 SER HB3 H 3.867 0.030 1 207 26 26 SER C C 177.035 0.300 1 208 26 26 SER CA C 61.628 0.300 1 209 26 26 SER CB C 62.054 0.300 1 210 26 26 SER N N 115.341 0.300 1 211 27 27 ASN H H 7.981 0.030 1 212 27 27 ASN HA H 4.447 0.030 1 213 27 27 ASN HB2 H 2.772 0.030 2 214 27 27 ASN HB3 H 2.951 0.030 2 215 27 27 ASN HD21 H 7.141 0.030 2 216 27 27 ASN HD22 H 8.253 0.030 2 217 27 27 ASN C C 177.718 0.300 1 218 27 27 ASN CA C 55.606 0.300 1 219 27 27 ASN CB C 38.410 0.300 1 220 27 27 ASN N N 120.177 0.300 1 221 27 27 ASN ND2 N 114.455 0.300 1 222 28 28 LEU H H 7.012 0.030 1 223 28 28 LEU HA H 3.134 0.030 1 224 28 28 LEU HB2 H 1.128 0.030 2 225 28 28 LEU HB3 H 1.873 0.030 2 226 28 28 LEU HD1 H 0.956 0.030 1 227 28 28 LEU HD2 H 0.945 0.030 1 228 28 28 LEU HG H 1.446 0.030 1 229 28 28 LEU C C 177.267 0.300 1 230 28 28 LEU CA C 58.104 0.300 1 231 28 28 LEU CB C 40.218 0.300 1 232 28 28 LEU CD1 C 22.870 0.300 2 233 28 28 LEU CD2 C 26.459 0.300 2 234 28 28 LEU CG C 27.493 0.300 1 235 28 28 LEU N N 122.074 0.300 1 236 29 29 PHE H H 8.163 0.030 1 237 29 29 PHE HA H 4.417 0.030 1 238 29 29 PHE HB2 H 3.198 0.030 1 239 29 29 PHE HB3 H 3.198 0.030 1 240 29 29 PHE HD1 H 7.231 0.030 1 241 29 29 PHE HD2 H 7.231 0.030 1 242 29 29 PHE HE1 H 7.306 0.030 1 243 29 29 PHE HE2 H 7.306 0.030 1 244 29 29 PHE HZ H 7.247 0.030 1 245 29 29 PHE C C 179.035 0.300 1 246 29 29 PHE CA C 60.033 0.300 1 247 29 29 PHE CB C 37.754 0.300 1 248 29 29 PHE CD1 C 131.205 0.300 1 249 29 29 PHE CD2 C 131.205 0.300 1 250 29 29 PHE CE1 C 131.217 0.300 1 251 29 29 PHE CE2 C 131.217 0.300 1 252 29 29 PHE CZ C 129.517 0.300 1 253 29 29 PHE N N 119.402 0.300 1 254 30 30 THR H H 8.114 0.030 1 255 30 30 THR HA H 3.790 0.030 1 256 30 30 THR HB H 4.124 0.030 1 257 30 30 THR HG2 H 1.245 0.030 1 258 30 30 THR C C 176.602 0.300 1 259 30 30 THR CA C 66.462 0.300 1 260 30 30 THR CB C 68.672 0.300 1 261 30 30 THR CG2 C 22.339 0.300 1 262 30 30 THR N N 115.549 0.300 1 263 31 31 HIS H H 7.617 0.030 1 264 31 31 HIS HA H 4.178 0.030 1 265 31 31 HIS HB2 H 2.942 0.030 2 266 31 31 HIS HB3 H 3.154 0.030 2 267 31 31 HIS HD2 H 6.916 0.030 1 268 31 31 HIS HE1 H 8.035 0.030 1 269 31 31 HIS C C 176.108 0.300 1 270 31 31 HIS CA C 59.362 0.300 1 271 31 31 HIS CB C 28.445 0.300 1 272 31 31 HIS CD2 C 127.304 0.300 1 273 31 31 HIS CE1 C 139.620 0.300 1 274 31 31 HIS N N 121.675 0.300 1 275 32 32 GLN H H 8.333 0.030 1 276 32 32 GLN HA H 3.650 0.030 1 277 32 32 GLN HB2 H 2.287 0.030 2 278 32 32 GLN HB3 H 2.191 0.030 2 279 32 32 GLN HE21 H 7.579 0.030 2 280 32 32 GLN HE22 H 6.942 0.030 2 281 32 32 GLN HG2 H 2.842 0.030 1 282 32 32 GLN HG3 H 2.842 0.030 1 283 32 32 GLN C C 177.408 0.300 1 284 32 32 GLN CA C 59.359 0.300 1 285 32 32 GLN CB C 28.248 0.300 1 286 32 32 GLN CG C 35.473 0.300 1 287 32 32 GLN N N 115.070 0.300 1 288 32 32 GLN NE2 N 111.959 0.300 1 289 33 33 LYS H H 7.051 0.030 1 290 33 33 LYS HA H 4.047 0.030 1 291 33 33 LYS HB2 H 1.804 0.030 2 292 33 33 LYS HB3 H 1.768 0.030 2 293 33 33 LYS HD2 H 1.637 0.030 1 294 33 33 LYS HD3 H 1.637 0.030 1 295 33 33 LYS HE2 H 2.848 0.030 2 296 33 33 LYS HE3 H 2.908 0.030 2 297 33 33 LYS HG2 H 1.380 0.030 2 298 33 33 LYS HG3 H 1.555 0.030 2 299 33 33 LYS C C 178.752 0.300 1 300 33 33 LYS CA C 58.459 0.300 1 301 33 33 LYS CB C 32.229 0.300 1 302 33 33 LYS CD C 29.138 0.300 1 303 33 33 LYS CE C 42.126 0.300 1 304 33 33 LYS CG C 25.190 0.300 1 305 33 33 LYS N N 117.558 0.300 1 306 34 34 ILE H H 7.815 0.030 1 307 34 34 ILE HA H 3.963 0.030 1 308 34 34 ILE HB H 1.669 0.030 1 309 34 34 ILE HD1 H 0.696 0.030 1 310 34 34 ILE HG12 H 0.743 0.030 2 311 34 34 ILE HG13 H 0.918 0.030 2 312 34 34 ILE HG2 H 0.571 0.030 1 313 34 34 ILE C C 177.414 0.300 1 314 34 34 ILE CA C 63.058 0.300 1 315 34 34 ILE CB C 37.691 0.300 1 316 34 34 ILE CD1 C 14.427 0.300 1 317 34 34 ILE CG1 C 26.581 0.300 1 318 34 34 ILE CG2 C 16.424 0.300 1 319 34 34 ILE N N 116.254 0.300 1 320 35 35 HIS H H 7.168 0.030 1 321 35 35 HIS HA H 4.852 0.030 1 322 35 35 HIS HB2 H 3.350 0.030 2 323 35 35 HIS HB3 H 3.214 0.030 2 324 35 35 HIS HD2 H 6.766 0.030 1 325 35 35 HIS HE1 H 8.068 0.030 1 326 35 35 HIS C C 175.722 0.300 1 327 35 35 HIS CA C 55.158 0.300 1 328 35 35 HIS CB C 28.451 0.300 1 329 35 35 HIS CD2 C 127.745 0.300 1 330 35 35 HIS CE1 C 140.048 0.300 1 331 35 35 HIS N N 117.658 0.300 1 332 36 36 THR H H 7.749 0.030 1 333 36 36 THR HA H 4.344 0.030 1 334 36 36 THR HB H 4.312 0.030 1 335 36 36 THR HG2 H 1.227 0.030 1 336 36 36 THR C C 175.386 0.300 1 337 36 36 THR CA C 62.498 0.300 1 338 36 36 THR CB C 69.820 0.300 1 339 36 36 THR CG2 C 21.610 0.300 1 340 36 36 THR N N 112.088 0.300 1 341 37 37 GLY H H 8.235 0.030 1 342 37 37 GLY HA2 H 4.005 0.030 2 343 37 37 GLY HA3 H 3.967 0.030 2 344 37 37 GLY C C 174.007 0.300 1 345 37 37 GLY CA C 45.313 0.300 1 346 37 37 GLY N N 110.725 0.300 1 347 38 38 GLU H H 8.108 0.030 1 348 38 38 GLU HA H 4.251 0.030 1 349 38 38 GLU HB2 H 1.995 0.030 2 350 38 38 GLU HB3 H 1.913 0.030 2 351 38 38 GLU HG2 H 2.269 0.030 2 352 38 38 GLU HG3 H 2.214 0.030 2 353 38 38 GLU C C 176.244 0.300 1 354 38 38 GLU CA C 56.465 0.300 1 355 38 38 GLU CB C 30.539 0.300 1 356 38 38 GLU CG C 36.227 0.300 1 357 38 38 GLU N N 120.554 0.300 1 358 39 39 LYS H H 8.382 0.030 1 359 39 39 LYS HA H 4.614 0.030 1 360 39 39 LYS HB2 H 1.814 0.030 2 361 39 39 LYS HB3 H 1.722 0.030 2 362 39 39 LYS HD2 H 1.687 0.030 1 363 39 39 LYS HD3 H 1.687 0.030 1 364 39 39 LYS HE2 H 2.906 0.030 1 365 39 39 LYS HE3 H 2.906 0.030 1 366 39 39 LYS HG2 H 1.458 0.030 1 367 39 39 LYS HG3 H 1.458 0.030 1 368 39 39 LYS C C 174.444 0.300 1 369 39 39 LYS CA C 54.104 0.300 1 370 39 39 LYS CB C 32.515 0.300 1 371 39 39 LYS CD C 29.078 0.300 1 372 39 39 LYS CE C 42.085 0.300 1 373 39 39 LYS CG C 24.524 0.300 1 374 39 39 LYS N N 123.768 0.300 1 375 40 40 PRO HA H 4.469 0.030 1 376 40 40 PRO HB2 H 2.303 0.030 2 377 40 40 PRO HB3 H 1.939 0.030 2 378 40 40 PRO HD2 H 3.826 0.030 2 379 40 40 PRO HD3 H 3.642 0.030 2 380 40 40 PRO HG2 H 2.015 0.030 1 381 40 40 PRO HG3 H 2.015 0.030 1 382 40 40 PRO CA C 63.201 0.300 1 383 40 40 PRO CB C 32.120 0.300 1 384 40 40 PRO CD C 50.700 0.300 1 385 40 40 PRO CG C 27.296 0.300 1 386 41 41 SER H H 8.491 0.030 1 387 41 41 SER HA H 4.467 0.030 1 388 41 41 SER HB2 H 3.894 0.030 1 389 41 41 SER HB3 H 3.894 0.030 1 390 41 41 SER CA C 58.519 0.300 1 391 41 41 SER CB C 64.123 0.300 1 392 41 41 SER N N 116.538 0.300 1 393 42 42 GLY HA2 H 4.165 0.030 2 394 42 42 GLY HA3 H 4.103 0.030 2 395 42 42 GLY CA C 44.660 0.300 1 396 43 43 PRO HA H 4.471 0.030 1 397 43 43 PRO HB2 H 1.940 0.030 1 398 43 43 PRO HB3 H 1.940 0.030 1 399 43 43 PRO HD2 H 3.630 0.030 1 400 43 43 PRO HD3 H 3.630 0.030 1 401 43 43 PRO HG2 H 2.013 0.030 1 402 43 43 PRO HG3 H 2.013 0.030 1 403 43 43 PRO CA C 63.280 0.300 1 404 43 43 PRO CB C 32.278 0.300 1 405 43 43 PRO CD C 49.834 0.300 1 406 43 43 PRO CG C 27.203 0.300 1 stop_ save_