data_10179 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 724-756) of human Zinc finger protein 28 homolog ; _BMRB_accession_number 10179 _BMRB_flat_file_name bmr10179.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" 209 "13C chemical shifts" 152 "15N chemical shifts" 30 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 724-756) of human Zinc finger protein 28 homolog ; _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 28 homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2 domain' $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 domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGQRPYECIECGK AFKTKSSLICHRRSHTGEKP 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 GLN 11 ARG 12 PRO 13 TYR 14 GLU 15 CYS 16 ILE 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 LYS 24 THR 25 LYS 26 SER 27 SER 28 LEU 29 ILE 30 CYS 31 HIS 32 ARG 33 ARG 34 SER 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 2EM4 "Solution Structure Of The C2h2 Type Zinc Finger (Region 724- 756) Of Human Zinc Finger Protein 28 Homolog" 100.00 46 100.00 100.00 2.19e-22 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 P061225-09 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 298 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 domain' _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 8 8 THR CA C 61.941 0.300 1 2 8 8 THR HA H 4.370 0.030 1 3 8 8 THR CB C 69.887 0.300 1 4 8 8 THR HB H 4.281 0.030 1 5 8 8 THR HG2 H 1.213 0.030 1 6 9 9 GLY CA C 45.384 0.300 1 7 9 9 GLY HA3 H 3.952 0.030 1 8 9 9 GLY C C 174.059 0.300 1 9 9 9 GLY HA2 H 3.952 0.030 1 10 10 10 GLN N N 119.396 0.300 1 11 10 10 GLN H H 8.197 0.030 1 12 10 10 GLN CA C 56.099 0.300 1 13 10 10 GLN HA H 4.254 0.030 1 14 10 10 GLN CB C 29.534 0.300 1 15 10 10 GLN HB3 H 2.058 0.030 2 16 10 10 GLN CG C 33.893 0.300 1 17 10 10 GLN HG3 H 2.330 0.030 1 18 10 10 GLN NE2 N 112.720 0.300 1 19 10 10 GLN HE21 H 7.539 0.030 2 20 10 10 GLN HE22 H 6.852 0.030 2 21 10 10 GLN C C 175.906 0.300 1 22 10 10 GLN HB2 H 1.946 0.030 2 23 10 10 GLN HG2 H 2.330 0.030 1 24 11 11 ARG N N 122.290 0.300 1 25 11 11 ARG H H 8.323 0.030 1 26 11 11 ARG CA C 53.699 0.300 1 27 11 11 ARG HA H 4.536 0.030 1 28 11 11 ARG CB C 30.483 0.300 1 29 11 11 ARG HB3 H 1.570 0.030 1 30 11 11 ARG CG C 27.053 0.300 1 31 11 11 ARG HG3 H 1.539 0.030 2 32 11 11 ARG CD C 43.429 0.300 1 33 11 11 ARG HD3 H 3.071 0.030 1 34 11 11 ARG C C 173.683 0.300 1 35 11 11 ARG HB2 H 1.570 0.030 1 36 11 11 ARG HD2 H 3.071 0.030 1 37 11 11 ARG HG2 H 1.433 0.030 2 38 12 12 PRO CA C 63.397 0.300 1 39 12 12 PRO HA H 4.285 0.030 1 40 12 12 PRO CB C 32.234 0.300 1 41 12 12 PRO HB3 H 1.365 0.030 2 42 12 12 PRO CG C 26.849 0.300 1 43 12 12 PRO HG3 H 1.824 0.030 2 44 12 12 PRO CD C 50.234 0.300 1 45 12 12 PRO HD3 H 3.602 0.030 1 46 12 12 PRO C C 176.232 0.300 1 47 12 12 PRO HB2 H 2.024 0.030 2 48 12 12 PRO HD2 H 3.602 0.030 1 49 12 12 PRO HG2 H 1.715 0.030 2 50 13 13 TYR N N 118.384 0.300 1 51 13 13 TYR H H 8.076 0.030 1 52 13 13 TYR CA C 57.335 0.300 1 53 13 13 TYR HA H 4.617 0.030 1 54 13 13 TYR CB C 38.356 0.300 1 55 13 13 TYR HB3 H 2.954 0.030 2 56 13 13 TYR CD1 C 133.105 0.300 1 57 13 13 TYR HD1 H 6.983 0.030 1 58 13 13 TYR CD2 C 133.105 0.300 1 59 13 13 TYR HD2 H 6.983 0.030 1 60 13 13 TYR CE1 C 118.265 0.300 1 61 13 13 TYR HE1 H 6.855 0.030 1 62 13 13 TYR CE2 C 118.265 0.300 1 63 13 13 TYR HE2 H 6.855 0.030 1 64 13 13 TYR C C 174.768 0.300 1 65 13 13 TYR HB2 H 2.855 0.030 2 66 14 14 GLU N N 123.471 0.300 1 67 14 14 GLU H H 8.460 0.030 1 68 14 14 GLU CA C 55.233 0.300 1 69 14 14 GLU HA H 4.925 0.030 1 70 14 14 GLU CB C 32.790 0.300 1 71 14 14 GLU HB3 H 1.840 0.030 1 72 14 14 GLU CG C 36.688 0.300 1 73 14 14 GLU HG3 H 1.937 0.030 2 74 14 14 GLU C C 175.483 0.300 1 75 14 14 GLU HB2 H 1.840 0.030 1 76 14 14 GLU HG2 H 2.023 0.030 2 77 15 15 CYS N N 126.570 0.300 1 78 15 15 CYS H H 9.293 0.030 1 79 15 15 CYS CA C 59.368 0.300 1 80 15 15 CYS HA H 4.608 0.030 1 81 15 15 CYS CB C 29.874 0.300 1 82 15 15 CYS HB3 H 2.849 0.030 2 83 15 15 CYS C C 177.332 0.300 1 84 15 15 CYS HB2 H 3.437 0.030 2 85 16 16 ILE N N 114.361 0.300 1 86 16 16 ILE H H 8.857 0.030 1 87 16 16 ILE CA C 63.249 0.300 1 88 16 16 ILE HA H 4.126 0.030 1 89 16 16 ILE CB C 38.266 0.300 1 90 16 16 ILE HB H 2.022 0.030 1 91 16 16 ILE CG1 C 27.772 0.300 1 92 16 16 ILE HG13 H 1.511 0.030 2 93 16 16 ILE CG2 C 17.812 0.300 1 94 16 16 ILE HG2 H 1.015 0.030 1 95 16 16 ILE CD1 C 13.674 0.300 1 96 16 16 ILE HD1 H 0.927 0.030 1 97 16 16 ILE C C 176.261 0.300 1 98 16 16 ILE HG12 H 1.360 0.030 2 99 17 17 GLU N N 122.365 0.300 1 100 17 17 GLU H H 8.639 0.030 1 101 17 17 GLU CA C 59.363 0.300 1 102 17 17 GLU HA H 4.154 0.030 1 103 17 17 GLU CB C 29.427 0.300 1 104 17 17 GLU HB3 H 1.504 0.030 2 105 17 17 GLU CG C 36.837 0.300 1 106 17 17 GLU HG3 H 1.977 0.030 2 107 17 17 GLU C C 177.603 0.300 1 108 17 17 GLU HB2 H 1.406 0.030 2 109 17 17 GLU HG2 H 1.934 0.030 2 110 18 18 CYS N N 114.731 0.300 1 111 18 18 CYS H H 7.995 0.030 1 112 18 18 CYS CA C 58.612 0.300 1 113 18 18 CYS HA H 5.146 0.030 1 114 18 18 CYS CB C 32.458 0.300 1 115 18 18 CYS HB3 H 2.865 0.030 2 116 18 18 CYS C C 176.248 0.300 1 117 18 18 CYS HB2 H 3.401 0.030 2 118 19 19 GLY N N 113.796 0.300 1 119 19 19 GLY H H 8.397 0.030 1 120 19 19 GLY CA C 46.250 0.300 1 121 19 19 GLY HA3 H 3.882 0.030 2 122 19 19 GLY C C 173.933 0.300 1 123 19 19 GLY HA2 H 4.222 0.030 2 124 20 20 LYS N N 122.119 0.300 1 125 20 20 LYS H H 7.887 0.030 1 126 20 20 LYS CA C 57.780 0.300 1 127 20 20 LYS HA H 4.046 0.030 1 128 20 20 LYS CB C 34.226 0.300 1 129 20 20 LYS HB3 H 1.398 0.030 2 130 20 20 LYS CG C 26.406 0.300 1 131 20 20 LYS HG3 H 1.513 0.030 2 132 20 20 LYS CD C 29.329 0.300 1 133 20 20 LYS HD3 H 1.522 0.030 1 134 20 20 LYS CE C 42.281 0.300 1 135 20 20 LYS HE3 H 2.976 0.030 1 136 20 20 LYS C C 173.634 0.300 1 137 20 20 LYS HB2 H 1.303 0.030 2 138 20 20 LYS HD2 H 1.522 0.030 1 139 20 20 LYS HE2 H 2.976 0.030 1 140 20 20 LYS HG2 H 1.179 0.030 2 141 21 21 ALA N N 122.988 0.300 1 142 21 21 ALA H H 7.852 0.030 1 143 21 21 ALA CA C 50.531 0.300 1 144 21 21 ALA HA H 5.068 0.030 1 145 21 21 ALA CB C 21.964 0.300 1 146 21 21 ALA HB H 1.217 0.030 1 147 21 21 ALA C C 176.493 0.300 1 148 22 22 PHE N N 117.964 0.300 1 149 22 22 PHE H H 8.646 0.030 1 150 22 22 PHE CA C 57.636 0.300 1 151 22 22 PHE HA H 4.620 0.030 1 152 22 22 PHE CB C 43.392 0.300 1 153 22 22 PHE HB3 H 3.434 0.030 2 154 22 22 PHE CD1 C 132.136 0.300 1 155 22 22 PHE HD1 H 7.232 0.030 1 156 22 22 PHE CD2 C 132.136 0.300 1 157 22 22 PHE HD2 H 7.232 0.030 1 158 22 22 PHE CE1 C 130.711 0.300 1 159 22 22 PHE HE1 H 6.802 0.030 1 160 22 22 PHE CE2 C 130.711 0.300 1 161 22 22 PHE HE2 H 6.802 0.030 1 162 22 22 PHE CZ C 128.624 0.300 1 163 22 22 PHE HZ H 6.076 0.030 1 164 22 22 PHE C C 175.473 0.300 1 165 22 22 PHE HB2 H 2.702 0.030 2 166 23 23 LYS CA C 58.582 0.300 1 167 23 23 LYS HA H 4.413 0.030 1 168 23 23 LYS CB C 34.037 0.300 1 169 23 23 LYS HB3 H 2.087 0.030 2 170 23 23 LYS CG C 25.765 0.300 1 171 23 23 LYS HG3 H 1.580 0.030 2 172 23 23 LYS CD C 29.263 0.300 1 173 23 23 LYS HD3 H 1.770 0.030 1 174 23 23 LYS CE C 42.146 0.300 1 175 23 23 LYS HE3 H 3.027 0.030 1 176 23 23 LYS C C 176.876 0.300 1 177 23 23 LYS HB2 H 2.018 0.030 2 178 23 23 LYS HD2 H 1.770 0.030 1 179 23 23 LYS HE2 H 3.027 0.030 1 180 23 23 LYS HG2 H 1.661 0.030 2 181 24 24 THR N N 119.640 0.300 1 182 24 24 THR H H 7.250 0.030 1 183 24 24 THR CA C 58.320 0.300 1 184 24 24 THR HA H 4.696 0.030 1 185 24 24 THR CB C 72.705 0.300 1 186 24 24 THR HB H 4.474 0.030 1 187 24 24 THR CG2 C 21.761 0.300 1 188 24 24 THR HG2 H 1.244 0.030 1 189 24 24 THR C C 173.538 0.300 1 190 25 25 LYS N N 123.935 0.300 1 191 25 25 LYS H H 8.309 0.030 1 192 25 25 LYS CA C 58.948 0.300 1 193 25 25 LYS HA H 3.190 0.030 1 194 25 25 LYS CB C 31.814 0.300 1 195 25 25 LYS HB3 H 1.317 0.030 2 196 25 25 LYS CG C 24.897 0.300 1 197 25 25 LYS HG3 H 1.157 0.030 2 198 25 25 LYS CD C 29.303 0.300 1 199 25 25 LYS HD3 H 1.625 0.030 2 200 25 25 LYS CE C 42.199 0.300 1 201 25 25 LYS C C 178.575 0.300 1 202 25 25 LYS HB2 H 1.595 0.030 2 203 25 25 LYS HD2 H 1.665 0.030 2 204 25 25 LYS HE2 H 2.993 0.030 2 205 25 25 LYS HG2 H 1.240 0.030 2 206 26 26 SER N N 112.737 0.300 1 207 26 26 SER H H 8.378 0.030 1 208 26 26 SER CA C 61.462 0.300 1 209 26 26 SER HA H 4.001 0.030 1 210 26 26 SER CB C 61.997 0.300 1 211 26 26 SER HB3 H 3.841 0.030 1 212 26 26 SER C C 177.274 0.300 1 213 26 26 SER HB2 H 3.841 0.030 1 214 27 27 SER N N 117.990 0.300 1 215 27 27 SER H H 7.774 0.030 1 216 27 27 SER CA C 61.787 0.300 1 217 27 27 SER HA H 4.157 0.030 1 218 27 27 SER CB C 62.739 0.300 1 219 27 27 SER HB3 H 4.009 0.030 2 220 27 27 SER C C 176.731 0.300 1 221 27 27 SER HB2 H 3.935 0.030 2 222 28 28 LEU N N 125.136 0.300 1 223 28 28 LEU H H 7.236 0.030 1 224 28 28 LEU CA C 58.242 0.300 1 225 28 28 LEU HA H 3.274 0.030 1 226 28 28 LEU CB C 40.574 0.300 1 227 28 28 LEU HB3 H 1.344 0.030 2 228 28 28 LEU CG C 27.695 0.300 1 229 28 28 LEU HG H 1.465 0.030 1 230 28 28 LEU CD1 C 26.495 0.300 2 231 28 28 LEU HD1 H 1.048 0.030 1 232 28 28 LEU CD2 C 22.717 0.300 2 233 28 28 LEU HD2 H 0.966 0.030 1 234 28 28 LEU C C 177.489 0.300 1 235 28 28 LEU HB2 H 2.096 0.030 2 236 29 29 ILE N N 120.340 0.300 1 237 29 29 ILE H H 8.396 0.030 1 238 29 29 ILE CA C 65.377 0.300 1 239 29 29 ILE HA H 3.486 0.030 1 240 29 29 ILE CB C 37.558 0.300 1 241 29 29 ILE HB H 1.862 0.030 1 242 29 29 ILE CG1 C 29.175 0.300 1 243 29 29 ILE HG13 H 1.610 0.030 2 244 29 29 ILE CG2 C 17.024 0.300 1 245 29 29 ILE HG2 H 0.867 0.030 1 246 29 29 ILE CD1 C 13.040 0.300 1 247 29 29 ILE HD1 H 0.781 0.030 1 248 29 29 ILE C C 178.945 0.300 1 249 29 29 ILE HG12 H 1.174 0.030 2 250 30 30 CYS N N 117.810 0.300 1 251 30 30 CYS H H 7.813 0.030 1 252 30 30 CYS CA C 62.779 0.300 1 253 30 30 CYS HA H 3.983 0.030 1 254 30 30 CYS CB C 26.511 0.300 1 255 30 30 CYS HB3 H 2.894 0.030 1 256 30 30 CYS C C 177.558 0.300 1 257 30 30 CYS HB2 H 2.894 0.030 1 258 31 31 HIS N N 119.264 0.300 1 259 31 31 HIS H H 7.738 0.030 1 260 31 31 HIS CA C 59.109 0.300 1 261 31 31 HIS HA H 4.203 0.030 1 262 31 31 HIS CB C 28.121 0.300 1 263 31 31 HIS HB3 H 2.745 0.030 2 264 31 31 HIS CD2 C 127.585 0.300 1 265 31 31 HIS HD2 H 6.839 0.030 1 266 31 31 HIS CE1 C 139.471 0.300 1 267 31 31 HIS HE1 H 7.991 0.030 1 268 31 31 HIS C C 177.945 0.300 1 269 31 31 HIS HB2 H 2.954 0.030 2 270 32 32 ARG N N 120.501 0.300 1 271 32 32 ARG H H 8.745 0.030 1 272 32 32 ARG CA C 60.292 0.300 1 273 32 32 ARG HA H 3.640 0.030 1 274 32 32 ARG CB C 29.469 0.300 1 275 32 32 ARG HB3 H 2.095 0.030 2 276 32 32 ARG CG C 28.644 0.300 1 277 32 32 ARG HG3 H 2.112 0.030 1 278 32 32 ARG CD C 43.472 0.300 1 279 32 32 ARG HD3 H 3.515 0.030 2 280 32 32 ARG C C 178.129 0.300 1 281 32 32 ARG HB2 H 1.938 0.030 2 282 32 32 ARG HD2 H 3.269 0.030 2 283 32 32 ARG HG2 H 2.112 0.030 1 284 33 33 ARG N N 117.976 0.300 1 285 33 33 ARG H H 7.283 0.030 1 286 33 33 ARG CA C 58.703 0.300 1 287 33 33 ARG HA H 4.154 0.030 1 288 33 33 ARG CB C 29.814 0.300 1 289 33 33 ARG HB3 H 1.908 0.030 2 290 33 33 ARG CG C 27.919 0.300 1 291 33 33 ARG HG3 H 1.648 0.030 2 292 33 33 ARG CD C 43.596 0.300 1 293 33 33 ARG HD3 H 3.202 0.030 1 294 33 33 ARG C C 177.957 0.300 1 295 33 33 ARG HB2 H 1.859 0.030 2 296 33 33 ARG HD2 H 3.202 0.030 1 297 33 33 ARG HG2 H 1.868 0.030 2 298 34 34 SER N N 113.862 0.300 1 299 34 34 SER H H 7.841 0.030 1 300 34 34 SER CA C 60.492 0.300 1 301 34 34 SER HA H 4.210 0.030 1 302 34 34 SER CB C 63.284 0.300 1 303 34 34 SER HB3 H 3.797 0.030 2 304 34 34 SER C C 175.028 0.300 1 305 34 34 SER HB2 H 3.702 0.030 2 306 35 35 HIS N N 119.288 0.300 1 307 35 35 HIS H H 7.313 0.030 1 308 35 35 HIS CA C 55.647 0.300 1 309 35 35 HIS HA H 4.865 0.030 1 310 35 35 HIS CB C 28.882 0.300 1 311 35 35 HIS HB3 H 3.310 0.030 2 312 35 35 HIS CD2 C 127.039 0.300 1 313 35 35 HIS HD2 H 6.625 0.030 1 314 35 35 HIS CE1 C 139.871 0.300 1 315 35 35 HIS HE1 H 7.996 0.030 1 316 35 35 HIS C C 175.603 0.300 1 317 35 35 HIS HB2 H 3.162 0.030 2 318 36 36 THR N N 112.427 0.300 1 319 36 36 THR H H 7.846 0.030 1 320 36 36 THR CA C 62.411 0.300 1 321 36 36 THR HA H 4.372 0.030 1 322 36 36 THR CB C 69.891 0.300 1 323 36 36 THR HB H 4.327 0.030 1 324 36 36 THR CG2 C 21.509 0.300 1 325 36 36 THR HG2 H 1.217 0.030 1 326 36 36 THR C C 175.363 0.300 1 327 37 37 GLY N N 110.984 0.300 1 328 37 37 GLY H H 8.339 0.030 1 329 37 37 GLY CA C 45.387 0.300 1 330 37 37 GLY HA3 H 3.971 0.030 1 331 37 37 GLY C C 174.048 0.300 1 332 37 37 GLY HA2 H 3.971 0.030 1 333 38 38 GLU N N 120.632 0.300 1 334 38 38 GLU H H 8.114 0.030 1 335 38 38 GLU CA C 56.455 0.300 1 336 38 38 GLU HA H 4.249 0.030 1 337 38 38 GLU CB C 30.579 0.300 1 338 38 38 GLU HB3 H 1.909 0.030 2 339 38 38 GLU CG C 36.276 0.300 1 340 38 38 GLU HG3 H 2.265 0.030 2 341 38 38 GLU C C 176.214 0.300 1 342 38 38 GLU HB2 H 1.994 0.030 2 343 38 38 GLU HG2 H 2.229 0.030 2 344 39 39 LYS N N 123.848 0.300 1 345 39 39 LYS H H 8.429 0.030 1 346 39 39 LYS CA C 54.125 0.300 1 347 39 39 LYS HA H 4.610 0.030 1 348 39 39 LYS CB C 32.513 0.300 1 349 39 39 LYS HB3 H 1.819 0.030 2 350 39 39 LYS CG C 24.510 0.300 1 351 39 39 LYS HG3 H 1.469 0.030 1 352 39 39 LYS CD C 29.152 0.300 1 353 39 39 LYS HD3 H 1.686 0.030 1 354 39 39 LYS CE C 42.316 0.300 1 355 39 39 LYS HE3 H 3.015 0.030 1 356 39 39 LYS C C 174.488 0.300 1 357 39 39 LYS HB2 H 1.730 0.030 2 358 39 39 LYS HD2 H 1.686 0.030 1 359 39 39 LYS HE2 H 3.015 0.030 1 360 39 39 LYS HG2 H 1.469 0.030 1 361 40 40 PRO CA C 63.239 0.300 1 362 40 40 PRO HA H 4.464 0.030 1 363 40 40 PRO CB C 32.143 0.300 1 364 40 40 PRO HB3 H 1.943 0.030 2 365 40 40 PRO CG C 27.504 0.300 1 366 40 40 PRO HG3 H 2.020 0.030 1 367 40 40 PRO CD C 50.699 0.300 1 368 40 40 PRO HD3 H 3.646 0.030 2 369 40 40 PRO HB2 H 2.320 0.030 2 370 40 40 PRO HD2 H 3.820 0.030 2 371 40 40 PRO HG2 H 2.020 0.030 1 372 43 43 PRO CA C 63.278 0.300 1 373 43 43 PRO HA H 4.481 0.030 1 374 43 43 PRO CB C 32.178 0.300 1 375 43 43 PRO HB3 H 2.305 0.030 1 376 43 43 PRO CG C 27.178 0.300 1 377 43 43 PRO HG3 H 2.019 0.030 1 378 43 43 PRO CD C 49.810 0.300 1 379 43 43 PRO HD3 H 3.630 0.030 1 380 43 43 PRO HB2 H 2.305 0.030 1 381 43 43 PRO HD2 H 3.630 0.030 1 382 43 43 PRO HG2 H 2.019 0.030 1 383 45 45 SER CA C 58.395 0.300 1 384 45 45 SER HA H 4.459 0.030 1 385 45 45 SER CB C 64.014 0.300 1 386 45 45 SER HB3 H 3.891 0.030 1 387 45 45 SER C C 173.893 0.300 1 388 45 45 SER HB2 H 3.891 0.030 1 389 46 46 GLY N N 116.853 0.300 1 390 46 46 GLY H H 8.041 0.030 1 391 46 46 GLY C C 178.958 0.300 1 stop_ save_