data_10181 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 367-399) of human Zinc finger protein 224 ; _BMRB_accession_number 10181 _BMRB_flat_file_name bmr10181.str _Entry_type original _Submission_date 2008-02-06 _Accession_date 2008-02-07 _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 Tomizawa T. . . 2 Tochio N. . . 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" 218 "13C chemical shifts" 155 "15N chemical shifts" 35 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-26 original author . stop_ _Original_release_date 2009-02-26 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 367-399) of human Zinc finger protein 224 ; _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 224' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label zf-C2H2 $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 _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYNCKECGK SFRWASCLLKHQRVHSGEKP 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 ASN 15 CYS 16 LYS 17 GLU 18 CYS 19 GLY 20 LYS 21 SER 22 PHE 23 ARG 24 TRP 25 ALA 26 SER 27 CYS 28 LEU 29 LEU 30 LYS 31 HIS 32 GLN 33 ARG 34 VAL 35 HIS 36 SER 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 2EM9 "Solution Structure Of The C2h2 Type Zinc Finger (Region 367- 399) Of Human Zinc Finger Protein 224" 100.00 46 100.00 100.00 5.24e-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 . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P061225-23 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_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . ZnCl2 0.05 mM . IDA 1 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement '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_ _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 _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 6 6 SER CA C 58.575 0.300 1 2 6 6 SER HA H 4.453 0.030 1 3 6 6 SER CB C 63.817 0.300 1 4 6 6 SER HB3 H 3.875 0.030 1 5 6 6 SER C C 175.107 0.300 1 6 6 6 SER HB2 H 3.875 0.030 1 7 7 7 GLY N N 110.865 0.300 1 8 7 7 GLY H H 8.455 0.030 1 9 7 7 GLY CA C 45.447 0.300 1 10 7 7 GLY HA3 H 4.006 0.030 1 11 7 7 GLY C C 174.454 0.300 1 12 7 7 GLY HA2 H 4.006 0.030 1 13 8 8 THR N N 112.847 0.300 1 14 8 8 THR H H 8.139 0.030 1 15 8 8 THR CA C 61.905 0.300 1 16 8 8 THR HA H 4.353 0.030 1 17 8 8 THR CB C 69.843 0.300 1 18 8 8 THR HB H 4.286 0.030 1 19 8 8 THR CG2 C 21.531 0.300 1 20 8 8 THR HG2 H 1.185 0.030 1 21 8 8 THR C C 175.228 0.300 1 22 9 9 GLY N N 110.821 0.300 1 23 9 9 GLY H H 8.421 0.030 1 24 9 9 GLY CA C 45.254 0.300 1 25 9 9 GLY HA3 H 3.949 0.030 2 26 9 9 GLY C C 174.011 0.300 1 27 9 9 GLY HA2 H 3.892 0.030 2 28 10 10 GLU N N 120.237 0.300 1 29 10 10 GLU H H 8.182 0.030 1 30 10 10 GLU CA C 56.937 0.300 1 31 10 10 GLU HA H 4.144 0.030 1 32 10 10 GLU CB C 30.378 0.300 1 33 10 10 GLU HB3 H 1.972 0.030 2 34 10 10 GLU CG C 36.269 0.300 1 35 10 10 GLU HG3 H 2.234 0.030 2 36 10 10 GLU C C 176.184 0.300 1 37 10 10 GLU HB2 H 1.874 0.030 2 38 10 10 GLU HG2 H 2.180 0.030 2 39 11 11 LYS N N 121.342 0.300 1 40 11 11 LYS H H 8.229 0.030 1 41 11 11 LYS CA C 53.834 0.300 1 42 11 11 LYS HA H 4.484 0.030 1 43 11 11 LYS CB C 32.967 0.300 1 44 11 11 LYS HB3 H 1.408 0.030 2 45 11 11 LYS CG C 24.862 0.300 1 46 11 11 LYS HG3 H 1.283 0.030 2 47 11 11 LYS CD C 29.368 0.300 1 48 11 11 LYS HD3 H 1.501 0.030 2 49 11 11 LYS CE C 42.164 0.300 1 50 11 11 LYS HE3 H 2.867 0.030 1 51 11 11 LYS HB2 H 1.581 0.030 2 52 11 11 LYS HD2 H 1.450 0.030 2 53 11 11 LYS HE2 H 2.867 0.030 1 54 11 11 LYS HG2 H 1.068 0.030 2 55 12 12 PRO CA C 63.387 0.300 1 56 12 12 PRO HA H 4.316 0.030 1 57 12 12 PRO CB C 32.242 0.300 1 58 12 12 PRO HB3 H 1.990 0.030 2 59 12 12 PRO CG C 26.600 0.300 1 60 12 12 PRO HG3 H 1.805 0.030 2 61 12 12 PRO CD C 50.223 0.300 1 62 12 12 PRO HD3 H 3.652 0.030 2 63 12 12 PRO C C 176.139 0.300 1 64 12 12 PRO HB2 H 1.420 0.030 2 65 12 12 PRO HD2 H 3.575 0.030 2 66 12 12 PRO HG2 H 1.667 0.030 2 67 13 13 TYR N N 118.364 0.300 1 68 13 13 TYR H H 7.941 0.030 1 69 13 13 TYR CA C 57.734 0.300 1 70 13 13 TYR HA H 4.583 0.030 1 71 13 13 TYR CB C 38.810 0.300 1 72 13 13 TYR HB3 H 2.944 0.030 2 73 13 13 TYR CD1 C 133.304 0.300 1 74 13 13 TYR HD1 H 7.016 0.030 1 75 13 13 TYR CD2 C 133.304 0.300 1 76 13 13 TYR HD2 H 7.016 0.030 1 77 13 13 TYR CE1 C 118.560 0.300 1 78 13 13 TYR HE1 H 6.965 0.030 1 79 13 13 TYR CE2 C 118.560 0.300 1 80 13 13 TYR HE2 H 6.965 0.030 1 81 13 13 TYR C C 174.591 0.300 1 82 13 13 TYR HB2 H 2.799 0.030 2 83 14 14 ASN N N 121.715 0.300 1 84 14 14 ASN H H 8.714 0.030 1 85 14 14 ASN CA C 52.503 0.300 1 86 14 14 ASN HA H 5.345 0.030 1 87 14 14 ASN CB C 41.570 0.300 1 88 14 14 ASN HB3 H 2.545 0.030 2 89 14 14 ASN ND2 N 112.451 0.300 1 90 14 14 ASN HD21 H 6.555 0.030 2 91 14 14 ASN HD22 H 7.256 0.030 2 92 14 14 ASN C C 173.463 0.300 1 93 14 14 ASN HB2 H 2.466 0.030 2 94 15 15 CYS N N 124.857 0.300 1 95 15 15 CYS H H 9.202 0.030 1 96 15 15 CYS CA C 59.089 0.300 1 97 15 15 CYS HA H 4.627 0.030 1 98 15 15 CYS CB C 29.702 0.300 1 99 15 15 CYS HB3 H 3.406 0.030 2 100 15 15 CYS C C 177.005 0.300 1 101 15 15 CYS HB2 H 2.838 0.030 2 102 16 16 LYS N N 131.671 0.300 1 103 16 16 LYS H H 9.303 0.030 1 104 16 16 LYS CA C 58.569 0.300 1 105 16 16 LYS HA H 4.162 0.030 1 106 16 16 LYS CB C 32.192 0.300 1 107 16 16 LYS HB3 H 1.940 0.030 1 108 16 16 LYS CG C 24.971 0.300 1 109 16 16 LYS HG3 H 1.553 0.030 1 110 16 16 LYS CD C 29.061 0.300 1 111 16 16 LYS HD3 H 1.734 0.030 1 112 16 16 LYS CE C 42.171 0.300 1 113 16 16 LYS HE3 H 3.060 0.030 1 114 16 16 LYS C C 177.048 0.300 1 115 16 16 LYS HB2 H 1.940 0.030 1 116 16 16 LYS HD2 H 1.734 0.030 1 117 16 16 LYS HE2 H 3.060 0.030 1 118 16 16 LYS HG2 H 1.553 0.030 1 119 17 17 GLU N N 119.887 0.300 1 120 17 17 GLU H H 8.581 0.030 1 121 17 17 GLU CA C 58.433 0.300 1 122 17 17 GLU HA H 4.186 0.030 1 123 17 17 GLU CB C 29.328 0.300 1 124 17 17 GLU HB3 H 1.363 0.030 2 125 17 17 GLU CG C 35.857 0.300 1 126 17 17 GLU HG3 H 1.832 0.030 2 127 17 17 GLU C C 177.219 0.300 1 128 17 17 GLU HB2 H 1.314 0.030 2 129 17 17 GLU HG2 H 1.916 0.030 2 130 18 18 CYS N N 114.441 0.300 1 131 18 18 CYS H H 7.918 0.030 1 132 18 18 CYS CA C 58.398 0.300 1 133 18 18 CYS HA H 5.178 0.030 1 134 18 18 CYS CB C 32.515 0.300 1 135 18 18 CYS HB3 H 3.446 0.030 2 136 18 18 CYS C C 176.163 0.300 1 137 18 18 CYS HB2 H 2.901 0.030 2 138 19 19 GLY N N 113.399 0.300 1 139 19 19 GLY H H 8.276 0.030 1 140 19 19 GLY CA C 46.239 0.300 1 141 19 19 GLY HA3 H 4.238 0.030 2 142 19 19 GLY C C 174.108 0.300 1 143 19 19 GLY HA2 H 3.895 0.030 2 144 20 20 LYS N N 122.801 0.300 1 145 20 20 LYS H H 7.927 0.030 1 146 20 20 LYS CA C 58.073 0.300 1 147 20 20 LYS HA H 4.028 0.030 1 148 20 20 LYS CB C 33.995 0.300 1 149 20 20 LYS HB3 H 1.390 0.030 2 150 20 20 LYS CG C 26.409 0.300 1 151 20 20 LYS HG3 H 1.491 0.030 2 152 20 20 LYS CD C 29.389 0.300 1 153 20 20 LYS HD3 H 1.495 0.030 1 154 20 20 LYS CE C 42.201 0.300 1 155 20 20 LYS HE3 H 3.010 0.030 2 156 20 20 LYS C C 174.252 0.300 1 157 20 20 LYS HB2 H 1.250 0.030 2 158 20 20 LYS HD2 H 1.495 0.030 1 159 20 20 LYS HE2 H 2.956 0.030 2 160 20 20 LYS HG2 H 1.142 0.030 2 161 21 21 SER N N 115.354 0.300 1 162 21 21 SER H H 7.753 0.030 1 163 21 21 SER CA C 56.907 0.300 1 164 21 21 SER HA H 5.264 0.030 1 165 21 21 SER CB C 65.905 0.300 1 166 21 21 SER HB3 H 3.712 0.030 2 167 21 21 SER C C 173.109 0.300 1 168 21 21 SER HB2 H 3.517 0.030 2 169 22 22 PHE N N 118.558 0.300 1 170 22 22 PHE H H 8.756 0.030 1 171 22 22 PHE CA C 57.139 0.300 1 172 22 22 PHE HA H 4.743 0.030 1 173 22 22 PHE CB C 43.854 0.300 1 174 22 22 PHE HB3 H 2.644 0.030 2 175 22 22 PHE CD1 C 132.400 0.300 1 176 22 22 PHE HD1 H 7.235 0.030 1 177 22 22 PHE CD2 C 132.400 0.300 1 178 22 22 PHE HD2 H 7.235 0.030 1 179 22 22 PHE CE1 C 130.685 0.300 1 180 22 22 PHE HE1 H 6.874 0.030 1 181 22 22 PHE CE2 C 130.685 0.300 1 182 22 22 PHE HE2 H 6.874 0.030 1 183 22 22 PHE CZ C 128.744 0.300 1 184 22 22 PHE HZ H 6.180 0.030 1 185 22 22 PHE C C 174.812 0.300 1 186 22 22 PHE HB2 H 3.375 0.030 2 187 23 23 ARG N N 121.492 0.300 1 188 23 23 ARG H H 9.062 0.030 1 189 23 23 ARG CA C 58.297 0.300 1 190 23 23 ARG HA H 4.148 0.030 1 191 23 23 ARG CB C 30.777 0.300 1 192 23 23 ARG HB3 H 1.334 0.030 2 193 23 23 ARG CG C 26.865 0.300 1 194 23 23 ARG HG3 H 1.056 0.030 2 195 23 23 ARG CD C 43.220 0.300 1 196 23 23 ARG HD3 H 2.836 0.030 2 197 23 23 ARG C C 175.059 0.300 1 198 23 23 ARG HB2 H 1.125 0.030 2 199 23 23 ARG HD2 H 2.687 0.030 2 200 23 23 ARG HG2 H 0.831 0.030 2 201 24 24 TRP N N 135.582 0.300 1 202 24 24 TRP H H 7.265 0.030 1 203 24 24 TRP CA C 55.009 0.300 1 204 24 24 TRP HA H 5.251 0.030 1 205 24 24 TRP CB C 32.664 0.300 1 206 24 24 TRP HB3 H 3.489 0.030 1 207 24 24 TRP CD1 C 128.003 0.300 1 208 24 24 TRP HD1 H 7.500 0.030 1 209 24 24 TRP NE1 N 129.168 0.300 1 210 24 24 TRP HE1 H 10.200 0.030 1 211 24 24 TRP CE3 C 124.559 0.300 1 212 24 24 TRP HE3 H 7.260 0.030 1 213 24 24 TRP CZ2 C 114.411 0.300 1 214 24 24 TRP HZ2 H 7.496 0.030 1 215 24 24 TRP CZ3 C 121.966 0.300 1 216 24 24 TRP HZ3 H 7.969 0.030 1 217 24 24 TRP CH2 C 121.982 0.300 1 218 24 24 TRP HH2 H 7.240 0.030 1 219 24 24 TRP C C 176.478 0.300 1 220 24 24 TRP HB2 H 3.489 0.030 1 221 25 25 ALA N N 127.796 0.300 1 222 25 25 ALA H H 8.590 0.030 1 223 25 25 ALA CA C 55.039 0.300 1 224 25 25 ALA HA H 3.100 0.030 1 225 25 25 ALA CB C 17.676 0.300 1 226 25 25 ALA HB H 1.079 0.030 1 227 26 26 SER CA C 61.568 0.300 1 228 26 26 SER HA H 3.889 0.030 1 229 26 26 SER CB C 60.859 0.300 1 230 26 26 SER HB3 H 4.012 0.030 1 231 26 26 SER C C 177.407 0.300 1 232 26 26 SER HB2 H 4.012 0.030 1 233 27 27 CYS N N 122.821 0.300 1 234 27 27 CYS H H 7.093 0.030 1 235 27 27 CYS CA C 62.747 0.300 1 236 27 27 CYS HA H 4.000 0.030 1 237 27 27 CYS CB C 28.498 0.300 1 238 27 27 CYS C C 178.084 0.300 1 239 27 27 CYS HB2 H 3.169 0.030 2 240 28 28 LEU N N 121.440 0.300 1 241 28 28 LEU H H 6.965 0.030 1 242 28 28 LEU CA C 57.672 0.300 1 243 28 28 LEU HA H 3.210 0.030 1 244 28 28 LEU CB C 40.463 0.300 1 245 28 28 LEU HB3 H 1.911 0.030 2 246 28 28 LEU CG C 27.474 0.300 1 247 28 28 LEU HG H 1.540 0.030 1 248 28 28 LEU CD1 C 26.469 0.300 2 249 28 28 LEU HD1 H 1.050 0.030 1 250 28 28 LEU CD2 C 23.047 0.300 2 251 28 28 LEU HD2 H 1.015 0.030 1 252 28 28 LEU C C 177.411 0.300 1 253 28 28 LEU HB2 H 1.228 0.030 2 254 29 29 LEU N N 119.582 0.300 1 255 29 29 LEU H H 7.918 0.030 1 256 29 29 LEU CA C 58.172 0.300 1 257 29 29 LEU HA H 4.085 0.030 1 258 29 29 LEU CB C 41.634 0.300 1 259 29 29 LEU HB3 H 1.634 0.030 1 260 29 29 LEU CG C 27.107 0.300 1 261 29 29 LEU HG H 1.608 0.030 1 262 29 29 LEU CD1 C 24.243 0.300 1 263 29 29 LEU HD1 H 0.870 0.030 1 264 29 29 LEU CD2 C 24.243 0.300 1 265 29 29 LEU HD2 H 0.870 0.030 1 266 29 29 LEU C C 179.868 0.300 1 267 29 29 LEU HB2 H 1.634 0.030 1 268 30 30 LYS N N 117.949 0.300 1 269 30 30 LYS H H 7.494 0.030 1 270 30 30 LYS CA C 59.428 0.300 1 271 30 30 LYS HA H 3.947 0.030 1 272 30 30 LYS CB C 32.538 0.300 1 273 30 30 LYS HB3 H 1.832 0.030 1 274 30 30 LYS CG C 25.357 0.300 1 275 30 30 LYS HG3 H 1.550 0.030 2 276 30 30 LYS CD C 29.407 0.300 1 277 30 30 LYS HD3 H 1.708 0.030 1 278 30 30 LYS CE C 42.169 0.300 1 279 30 30 LYS HE3 H 2.965 0.030 1 280 30 30 LYS C C 179.147 0.300 1 281 30 30 LYS HB2 H 1.832 0.030 1 282 30 30 LYS HD2 H 1.708 0.030 1 283 30 30 LYS HE2 H 2.965 0.030 1 284 30 30 LYS HG2 H 1.417 0.030 2 285 31 31 HIS N N 118.910 0.300 1 286 31 31 HIS H H 7.688 0.030 1 287 31 31 HIS CA C 58.850 0.300 1 288 31 31 HIS HA H 4.237 0.030 1 289 31 31 HIS CB C 28.584 0.300 1 290 31 31 HIS HB3 H 3.139 0.030 2 291 31 31 HIS CD2 C 127.203 0.300 1 292 31 31 HIS HD2 H 6.961 0.030 1 293 31 31 HIS CE1 C 139.824 0.300 1 294 31 31 HIS HE1 H 8.049 0.030 1 295 31 31 HIS C C 176.001 0.300 1 296 31 31 HIS HB2 H 2.887 0.030 2 297 32 32 GLN N N 115.428 0.300 1 298 32 32 GLN H H 8.230 0.030 1 299 32 32 GLN CA C 59.190 0.300 1 300 32 32 GLN HA H 3.706 0.030 1 301 32 32 GLN CB C 28.135 0.300 1 302 32 32 GLN HB3 H 2.316 0.030 2 303 32 32 GLN CG C 34.946 0.300 1 304 32 32 GLN HG3 H 2.798 0.030 1 305 32 32 GLN NE2 N 112.013 0.300 1 306 32 32 GLN HE21 H 7.531 0.030 2 307 32 32 GLN HE22 H 7.015 0.030 2 308 32 32 GLN C C 177.623 0.300 1 309 32 32 GLN HB2 H 2.210 0.030 2 310 32 32 GLN HG2 H 2.798 0.030 1 311 33 33 ARG N N 118.204 0.300 1 312 33 33 ARG H H 7.197 0.030 1 313 33 33 ARG CA C 58.506 0.300 1 314 33 33 ARG HA H 4.134 0.030 1 315 33 33 ARG CB C 29.842 0.300 1 316 33 33 ARG HB3 H 1.903 0.030 2 317 33 33 ARG CG C 27.298 0.300 1 318 33 33 ARG HG3 H 1.807 0.030 2 319 33 33 ARG CD C 43.355 0.300 1 320 33 33 ARG HD3 H 3.220 0.030 1 321 33 33 ARG C C 178.649 0.300 1 322 33 33 ARG HB2 H 1.832 0.030 2 323 33 33 ARG HD2 H 3.220 0.030 1 324 33 33 ARG HG2 H 1.722 0.030 2 325 34 34 VAL N N 116.486 0.300 1 326 34 34 VAL H H 7.902 0.030 1 327 34 34 VAL CA C 64.123 0.300 1 328 34 34 VAL HA H 3.905 0.030 1 329 34 34 VAL CB C 31.069 0.300 1 330 34 34 VAL HB H 1.890 0.030 1 331 34 34 VAL CG1 C 19.938 0.300 2 332 34 34 VAL HG1 H 0.653 0.030 1 333 34 34 VAL CG2 C 19.787 0.300 2 334 34 34 VAL HG2 H 0.521 0.030 1 335 34 34 VAL C C 177.281 0.300 1 336 35 35 HIS N N 117.033 0.300 1 337 35 35 HIS H H 7.126 0.030 1 338 35 35 HIS CA C 54.996 0.300 1 339 35 35 HIS HA H 4.875 0.030 1 340 35 35 HIS CB C 28.704 0.300 1 341 35 35 HIS HB3 H 3.390 0.030 2 342 35 35 HIS CD2 C 127.511 0.300 1 343 35 35 HIS HD2 H 6.681 0.030 1 344 35 35 HIS CE1 C 139.972 0.300 1 345 35 35 HIS HE1 H 8.035 0.030 1 346 35 35 HIS C C 175.499 0.300 1 347 35 35 HIS HB2 H 3.142 0.030 2 348 36 36 SER N N 114.731 0.300 1 349 36 36 SER H H 7.792 0.030 1 350 36 36 SER CA C 59.098 0.300 1 351 36 36 SER HA H 4.463 0.030 1 352 36 36 SER CB C 64.002 0.300 1 353 36 36 SER HB3 H 3.976 0.030 2 354 36 36 SER C C 175.139 0.300 1 355 36 36 SER HB2 H 3.918 0.030 2 356 37 37 GLY N N 110.777 0.300 1 357 37 37 GLY H H 8.316 0.030 1 358 37 37 GLY CA C 45.362 0.300 1 359 37 37 GLY HA3 H 4.002 0.030 1 360 37 37 GLY C C 174.036 0.300 1 361 37 37 GLY HA2 H 4.002 0.030 1 362 38 38 GLU N N 120.515 0.300 1 363 38 38 GLU H H 8.100 0.030 1 364 38 38 GLU CA C 56.424 0.300 1 365 38 38 GLU HA H 4.269 0.030 1 366 38 38 GLU CB C 30.494 0.300 1 367 38 38 GLU HB3 H 2.010 0.030 2 368 38 38 GLU CG C 36.272 0.300 1 369 38 38 GLU HG3 H 2.281 0.030 2 370 38 38 GLU C C 176.249 0.300 1 371 38 38 GLU HB2 H 1.927 0.030 2 372 38 38 GLU HG2 H 2.227 0.030 2 373 39 39 LYS N N 123.799 0.300 1 374 39 39 LYS H H 8.409 0.030 1 375 39 39 LYS CA C 54.163 0.300 1 376 39 39 LYS HA H 4.622 0.030 1 377 39 39 LYS CB C 32.492 0.300 1 378 39 39 LYS HB3 H 1.833 0.030 2 379 39 39 LYS CG C 24.521 0.300 1 380 39 39 LYS HG3 H 1.479 0.030 1 381 39 39 LYS CD C 29.111 0.300 1 382 39 39 LYS HD3 H 1.700 0.030 1 383 39 39 LYS CE C 42.049 0.300 1 384 39 39 LYS HE3 H 3.024 0.030 1 385 39 39 LYS HB2 H 1.743 0.030 2 386 39 39 LYS HD2 H 1.700 0.030 1 387 39 39 LYS HE2 H 3.024 0.030 1 388 39 39 LYS HG2 H 1.479 0.030 1 389 40 40 PRO CA C 63.257 0.300 1 390 40 40 PRO HA H 4.475 0.030 1 391 40 40 PRO CB C 32.139 0.300 1 392 40 40 PRO HB3 H 2.325 0.030 2 393 40 40 PRO CG C 27.442 0.300 1 394 40 40 PRO HG3 H 2.025 0.030 1 395 40 40 PRO CD C 50.701 0.300 1 396 40 40 PRO HD3 H 3.658 0.030 2 397 40 40 PRO HB2 H 1.952 0.030 2 398 40 40 PRO HD2 H 3.835 0.030 2 399 40 40 PRO HG2 H 2.025 0.030 1 400 45 45 SER CA C 58.385 0.300 1 401 45 45 SER HA H 4.458 0.030 1 402 45 45 SER CB C 64.084 0.300 1 403 45 45 SER HB3 H 3.858 0.030 1 404 45 45 SER C C 173.896 0.300 1 405 45 45 SER HB2 H 3.858 0.030 1 406 46 46 GLY N N 116.865 0.300 1 407 46 46 GLY H H 8.055 0.030 1 408 46 46 GLY C C 178.967 0.300 1 stop_ save_