data_10202 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 491-523) of human Zinc finger protein 484 ; _BMRB_accession_number 10202 _BMRB_flat_file_name bmr10202.str _Entry_type original _Submission_date 2008-03-05 _Accession_date 2008-03-05 _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" 221 "13C chemical shifts" 165 "15N chemical shifts" 35 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-05 original author . stop_ _Original_release_date 2009-03-05 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 491-523) 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 $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 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGERPYICTVCGK AFTDRSNLIKHQKIHTGEKP 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 ARG 12 PRO 13 TYR 14 ILE 15 CYS 16 THR 17 VAL 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 THR 24 ASP 25 ARG 26 SER 27 ASN 28 LEU 29 ILE 30 LYS 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 2EMH "Solution Structure Of The C2h2 Type Zinc Finger (Region 491- 523) Of Human Zinc Finger Protein 484" 100.00 46 100.00 100.00 1.56e-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 P070115-42 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 'Guentert, 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 700 _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 7 7 GLY CA C 45.428 0.300 1 2 7 7 GLY HA2 H 4.031 0.030 1 3 7 7 GLY HA3 H 4.031 0.030 1 4 7 7 GLY C C 174.504 0.300 1 5 8 8 THR N N 112.847 0.300 1 6 8 8 THR H H 8.154 0.030 1 7 8 8 THR CA C 61.882 0.300 1 8 8 8 THR HA H 4.361 0.030 1 9 8 8 THR CB C 69.841 0.300 1 10 8 8 THR HB H 4.287 0.030 1 11 8 8 THR CG2 C 21.511 0.300 1 12 8 8 THR HG2 H 1.185 0.030 1 13 8 8 THR C C 175.257 0.300 1 14 9 9 GLY N N 110.940 0.300 1 15 9 9 GLY H H 8.452 0.030 1 16 9 9 GLY CA C 45.278 0.300 1 17 9 9 GLY HA2 H 3.920 0.030 1 18 9 9 GLY HA3 H 3.920 0.030 1 19 9 9 GLY C C 174.062 0.300 1 20 10 10 GLU N N 120.294 0.300 1 21 10 10 GLU H H 8.237 0.030 1 22 10 10 GLU CA C 56.821 0.300 1 23 10 10 GLU HA H 4.205 0.030 1 24 10 10 GLU CB C 30.426 0.300 1 25 10 10 GLU HB2 H 1.906 0.030 2 26 10 10 GLU HB3 H 1.995 0.030 2 27 10 10 GLU CG C 36.305 0.300 1 28 10 10 GLU HG2 H 2.219 0.030 2 29 10 10 GLU HG3 H 2.263 0.030 2 30 10 10 GLU C C 176.322 0.300 1 31 11 11 ARG N N 121.374 0.300 1 32 11 11 ARG H H 8.295 0.030 1 33 11 11 ARG CA C 53.547 0.300 1 34 11 11 ARG HA H 4.539 0.030 1 35 11 11 ARG CB C 30.672 0.300 1 36 11 11 ARG HB2 H 1.500 0.030 2 37 11 11 ARG HB3 H 1.564 0.030 2 38 11 11 ARG CG C 26.940 0.300 1 39 11 11 ARG HG2 H 1.499 0.030 2 40 11 11 ARG HG3 H 1.422 0.030 2 41 11 11 ARG CD C 43.493 0.300 1 42 11 11 ARG HD2 H 3.027 0.030 2 43 11 11 ARG C C 173.550 0.300 1 44 12 12 PRO CA C 63.252 0.300 1 45 12 12 PRO HA H 4.335 0.030 1 46 12 12 PRO CB C 32.315 0.300 1 47 12 12 PRO HB2 H 2.029 0.030 2 48 12 12 PRO HB3 H 1.400 0.030 2 49 12 12 PRO CG C 26.613 0.300 1 50 12 12 PRO HG2 H 1.609 0.030 2 51 12 12 PRO HG3 H 1.833 0.030 2 52 12 12 PRO CD C 50.070 0.300 1 53 12 12 PRO HD2 H 3.588 0.030 1 54 12 12 PRO HD3 H 3.588 0.030 1 55 12 12 PRO C C 176.312 0.300 1 56 13 13 TYR N N 119.535 0.300 1 57 13 13 TYR H H 8.022 0.030 1 58 13 13 TYR CA C 57.666 0.300 1 59 13 13 TYR HA H 4.597 0.030 1 60 13 13 TYR CB C 38.476 0.300 1 61 13 13 TYR HB2 H 2.827 0.030 2 62 13 13 TYR HB3 H 2.950 0.030 2 63 13 13 TYR CD1 C 133.047 0.300 1 64 13 13 TYR HD1 H 6.997 0.030 1 65 13 13 TYR CD2 C 133.047 0.300 1 66 13 13 TYR HD2 H 6.997 0.030 1 67 13 13 TYR CE1 C 118.424 0.300 1 68 13 13 TYR HE1 H 6.883 0.030 1 69 13 13 TYR CE2 C 118.424 0.300 1 70 13 13 TYR HE2 H 6.883 0.030 1 71 13 13 TYR C C 174.475 0.300 1 72 14 14 ILE N N 124.578 0.300 1 73 14 14 ILE H H 8.338 0.030 1 74 14 14 ILE CA C 59.714 0.300 1 75 14 14 ILE HA H 4.675 0.030 1 76 14 14 ILE CB C 40.638 0.300 1 77 14 14 ILE HB H 1.675 0.030 1 78 14 14 ILE CG1 C 27.860 0.300 1 79 14 14 ILE HG12 H 0.998 0.030 2 80 14 14 ILE HG13 H 1.369 0.030 2 81 14 14 ILE CG2 C 17.143 0.300 1 82 14 14 ILE HG2 H 0.701 0.030 1 83 14 14 ILE CD1 C 12.772 0.300 1 84 14 14 ILE HD1 H 0.762 0.030 1 85 14 14 ILE C C 175.750 0.300 1 86 15 15 CYS N N 128.935 0.300 1 87 15 15 CYS H H 9.278 0.030 1 88 15 15 CYS CA C 59.752 0.300 1 89 15 15 CYS HA H 4.624 0.030 1 90 15 15 CYS CB C 29.428 0.300 1 91 15 15 CYS HB2 H 3.441 0.030 2 92 15 15 CYS HB3 H 2.920 0.030 2 93 15 15 CYS C C 177.330 0.300 1 94 16 16 THR N N 124.216 0.300 1 95 16 16 THR H H 8.902 0.030 1 96 16 16 THR CA C 64.298 0.300 1 97 16 16 THR HA H 4.130 0.030 1 98 16 16 THR CB C 68.664 0.300 1 99 16 16 THR HB H 4.403 0.030 1 100 16 16 THR CG2 C 22.257 0.300 1 101 16 16 THR HG2 H 1.384 0.030 1 102 16 16 THR C C 174.750 0.300 1 103 17 17 VAL N N 123.592 0.300 1 104 17 17 VAL H H 8.618 0.030 1 105 17 17 VAL CA C 65.222 0.300 1 106 17 17 VAL HA H 3.795 0.030 1 107 17 17 VAL CB C 32.714 0.300 1 108 17 17 VAL HB H 1.224 0.030 1 109 17 17 VAL CG1 C 21.398 0.300 2 110 17 17 VAL HG1 H 0.794 0.030 1 111 17 17 VAL CG2 C 20.099 0.300 2 112 17 17 VAL HG2 H 0.280 0.030 1 113 17 17 VAL C C 177.090 0.300 1 114 18 18 CYS N N 115.099 0.300 1 115 18 18 CYS H H 7.957 0.030 1 116 18 18 CYS CA C 58.176 0.300 1 117 18 18 CYS HA H 5.159 0.030 1 118 18 18 CYS CB C 32.806 0.300 1 119 18 18 CYS HB2 H 3.472 0.030 2 120 18 18 CYS HB3 H 2.796 0.030 2 121 18 18 CYS C C 176.462 0.300 1 122 19 19 GLY N N 113.815 0.300 1 123 19 19 GLY H H 8.183 0.030 1 124 19 19 GLY CA C 46.160 0.300 1 125 19 19 GLY HA2 H 4.209 0.030 2 126 19 19 GLY HA3 H 3.748 0.030 2 127 19 19 GLY C C 173.546 0.300 1 128 20 20 LYS N N 123.111 0.300 1 129 20 20 LYS H H 7.986 0.030 1 130 20 20 LYS CA C 58.320 0.300 1 131 20 20 LYS HA H 3.936 0.030 1 132 20 20 LYS CB C 33.685 0.300 1 133 20 20 LYS HB2 H 1.486 0.030 2 134 20 20 LYS HB3 H 1.233 0.030 2 135 20 20 LYS CG C 26.258 0.300 1 136 20 20 LYS HG2 H 1.053 0.030 2 137 20 20 LYS HG3 H 1.405 0.030 2 138 20 20 LYS CD C 29.298 0.300 1 139 20 20 LYS HD2 H 1.415 0.030 2 140 20 20 LYS HD3 H 1.517 0.030 2 141 20 20 LYS CE C 42.173 0.300 1 142 20 20 LYS HE2 H 2.899 0.030 2 143 20 20 LYS HE3 H 2.956 0.030 2 144 20 20 LYS C C 173.419 0.300 1 145 21 21 ALA N N 124.165 0.300 1 146 21 21 ALA H H 7.779 0.030 1 147 21 21 ALA CA C 50.486 0.300 1 148 21 21 ALA HA H 5.105 0.030 1 149 21 21 ALA CB C 22.458 0.300 1 150 21 21 ALA HB H 1.200 0.030 1 151 21 21 ALA C C 176.756 0.300 1 152 22 22 PHE N N 118.244 0.300 1 153 22 22 PHE H H 8.986 0.030 1 154 22 22 PHE CA C 57.418 0.300 1 155 22 22 PHE HA H 4.717 0.030 1 156 22 22 PHE CB C 43.231 0.300 1 157 22 22 PHE HB2 H 3.372 0.030 2 158 22 22 PHE HB3 H 2.762 0.030 2 159 22 22 PHE CD1 C 132.350 0.300 1 160 22 22 PHE HD1 H 7.281 0.030 1 161 22 22 PHE CD2 C 132.350 0.300 1 162 22 22 PHE HD2 H 7.281 0.030 1 163 22 22 PHE CE1 C 130.713 0.300 1 164 22 22 PHE HE1 H 6.837 0.030 1 165 22 22 PHE CE2 C 130.713 0.300 1 166 22 22 PHE HE2 H 6.837 0.030 1 167 22 22 PHE CZ C 128.763 0.300 1 168 22 22 PHE HZ H 6.205 0.030 1 169 22 22 PHE C C 175.604 0.300 1 170 23 23 THR N N 112.986 0.300 1 171 23 23 THR H H 8.941 0.030 1 172 23 23 THR CA C 63.847 0.300 1 173 23 23 THR HA H 4.470 0.030 1 174 23 23 THR CB C 69.556 0.300 1 175 23 23 THR HB H 4.429 0.030 1 176 23 23 THR CG2 C 22.331 0.300 1 177 23 23 THR HG2 H 1.335 0.030 1 178 23 23 THR C C 174.032 0.300 1 179 24 24 ASP N N 118.330 0.300 1 180 24 24 ASP H H 7.637 0.030 1 181 24 24 ASP CA C 52.811 0.300 1 182 24 24 ASP HA H 4.808 0.030 1 183 24 24 ASP CB C 43.632 0.300 1 184 24 24 ASP HB2 H 2.714 0.030 2 185 24 24 ASP HB3 H 2.795 0.030 2 186 24 24 ASP C C 175.092 0.300 1 187 25 25 ARG N N 124.562 0.300 1 188 25 25 ARG H H 8.384 0.030 1 189 25 25 ARG CA C 59.227 0.300 1 190 25 25 ARG HA H 3.139 0.030 1 191 25 25 ARG CB C 29.797 0.300 1 192 25 25 ARG HB2 H 1.474 0.030 2 193 25 25 ARG HB3 H 1.111 0.030 2 194 25 25 ARG CG C 27.743 0.300 1 195 25 25 ARG HG2 H 1.253 0.030 2 196 25 25 ARG HG3 H 1.395 0.030 2 197 25 25 ARG CD C 43.238 0.300 1 198 25 25 ARG HD2 H 3.087 0.030 1 199 25 25 ARG HD3 H 3.087 0.030 1 200 25 25 ARG C C 177.768 0.300 1 201 26 26 SER N N 114.310 0.300 1 202 26 26 SER H H 8.404 0.030 1 203 26 26 SER CA C 61.865 0.300 1 204 26 26 SER HA H 3.981 0.030 1 205 26 26 SER CB C 62.116 0.300 1 206 26 26 SER HB2 H 3.824 0.030 1 207 26 26 SER HB3 H 3.824 0.030 1 208 26 26 SER C C 177.339 0.300 1 209 27 27 ASN N N 120.170 0.300 1 210 27 27 ASN H H 8.024 0.030 1 211 27 27 ASN CA C 55.713 0.300 1 212 27 27 ASN HA H 4.426 0.030 1 213 27 27 ASN CB C 38.343 0.300 1 214 27 27 ASN HB2 H 2.987 0.030 2 215 27 27 ASN HB3 H 2.733 0.030 2 216 27 27 ASN ND2 N 115.365 0.300 1 217 27 27 ASN HD21 H 7.149 0.030 2 218 27 27 ASN HD22 H 8.416 0.030 2 219 27 27 ASN C C 177.564 0.300 1 220 28 28 LEU N N 123.285 0.300 1 221 28 28 LEU H H 7.047 0.030 1 222 28 28 LEU CA C 58.259 0.300 1 223 28 28 LEU HA H 3.147 0.030 1 224 28 28 LEU CB C 40.313 0.300 1 225 28 28 LEU HB2 H 2.033 0.030 2 226 28 28 LEU HB3 H 1.230 0.030 2 227 28 28 LEU CG C 27.607 0.300 1 228 28 28 LEU HG H 1.463 0.030 1 229 28 28 LEU CD1 C 22.829 0.300 2 230 28 28 LEU HD1 H 0.991 0.030 1 231 28 28 LEU CD2 C 26.510 0.300 2 232 28 28 LEU HD2 H 1.015 0.030 1 233 28 28 LEU C C 177.394 0.300 1 234 29 29 ILE N N 119.714 0.300 1 235 29 29 ILE H H 8.148 0.030 1 236 29 29 ILE CA C 64.564 0.300 1 237 29 29 ILE HA H 3.692 0.030 1 238 29 29 ILE CB C 37.503 0.300 1 239 29 29 ILE HB H 1.809 0.030 1 240 29 29 ILE CG1 C 28.862 0.300 1 241 29 29 ILE HG12 H 1.220 0.030 2 242 29 29 ILE HG13 H 1.529 0.030 2 243 29 29 ILE CG2 C 17.165 0.300 1 244 29 29 ILE HG2 H 0.859 0.030 1 245 29 29 ILE CD1 C 12.394 0.300 1 246 29 29 ILE HD1 H 0.740 0.030 1 247 29 29 ILE C C 179.034 0.300 1 248 30 30 LYS N N 118.869 0.300 1 249 30 30 LYS H H 7.539 0.030 1 250 30 30 LYS CA C 59.707 0.300 1 251 30 30 LYS HA H 3.917 0.030 1 252 30 30 LYS CB C 32.807 0.300 1 253 30 30 LYS HB2 H 1.799 0.030 1 254 30 30 LYS HB3 H 1.799 0.030 1 255 30 30 LYS CG C 25.306 0.300 1 256 30 30 LYS HG2 H 1.534 0.030 2 257 30 30 LYS HG3 H 1.383 0.030 2 258 30 30 LYS CD C 29.511 0.300 1 259 30 30 LYS HD2 H 1.662 0.030 1 260 30 30 LYS HD3 H 1.662 0.030 1 261 30 30 LYS CE C 42.077 0.300 1 262 30 30 LYS HE2 H 2.941 0.030 1 263 30 30 LYS HE3 H 2.941 0.030 1 264 30 30 LYS C C 179.031 0.300 1 265 31 31 HIS N N 118.737 0.300 1 266 31 31 HIS H H 7.554 0.030 1 267 31 31 HIS CA C 59.020 0.300 1 268 31 31 HIS HA H 4.175 0.030 1 269 31 31 HIS CB C 28.480 0.300 1 270 31 31 HIS HB2 H 3.123 0.030 2 271 31 31 HIS HB3 H 2.921 0.030 2 272 31 31 HIS CD2 C 127.257 0.300 1 273 31 31 HIS HD2 H 6.892 0.030 1 274 31 31 HIS CE1 C 139.527 0.300 1 275 31 31 HIS HE1 H 8.043 0.030 1 276 31 31 HIS C C 176.197 0.300 1 277 32 32 GLN N N 115.420 0.300 1 278 32 32 GLN H H 8.379 0.030 1 279 32 32 GLN CA C 59.377 0.300 1 280 32 32 GLN HA H 3.642 0.030 1 281 32 32 GLN CB C 28.253 0.300 1 282 32 32 GLN HB2 H 2.179 0.030 2 283 32 32 GLN HB3 H 2.321 0.030 2 284 32 32 GLN CG C 35.368 0.300 1 285 32 32 GLN HG2 H 2.832 0.030 1 286 32 32 GLN HG3 H 2.832 0.030 1 287 32 32 GLN NE2 N 111.379 0.300 1 288 32 32 GLN HE21 H 7.515 0.030 2 289 32 32 GLN HE22 H 6.966 0.030 2 290 32 32 GLN C C 177.510 0.300 1 291 33 33 LYS N N 117.483 0.300 1 292 33 33 LYS H H 7.088 0.030 1 293 33 33 LYS CA C 58.393 0.300 1 294 33 33 LYS HA H 4.094 0.030 1 295 33 33 LYS CB C 32.312 0.300 1 296 33 33 LYS HB2 H 1.837 0.030 2 297 33 33 LYS HB3 H 1.812 0.030 2 298 33 33 LYS CG C 25.130 0.300 1 299 33 33 LYS HG2 H 1.627 0.030 2 300 33 33 LYS HG3 H 1.477 0.030 2 301 33 33 LYS CD C 29.010 0.300 1 302 33 33 LYS HD2 H 1.674 0.030 1 303 33 33 LYS HD3 H 1.674 0.030 1 304 33 33 LYS CE C 42.145 0.300 1 305 33 33 LYS HE2 H 2.941 0.030 1 306 33 33 LYS HE3 H 2.941 0.030 1 307 33 33 LYS C C 178.685 0.300 1 308 34 34 ILE N N 116.168 0.300 1 309 34 34 ILE H H 7.815 0.030 1 310 34 34 ILE CA C 63.019 0.300 1 311 34 34 ILE HA H 3.979 0.030 1 312 34 34 ILE CB C 37.697 0.300 1 313 34 34 ILE HB H 1.687 0.030 1 314 34 34 ILE CG1 C 26.563 0.300 1 315 34 34 ILE HG12 H 0.937 0.030 2 316 34 34 ILE HG13 H 0.731 0.030 2 317 34 34 ILE CG2 C 16.391 0.300 1 318 34 34 ILE HG2 H 0.575 0.030 1 319 34 34 ILE CD1 C 14.388 0.300 1 320 34 34 ILE HD1 H 0.703 0.030 1 321 34 34 ILE C C 177.346 0.300 1 322 35 35 HIS N N 117.330 0.300 1 323 35 35 HIS H H 7.193 0.030 1 324 35 35 HIS CA C 54.932 0.300 1 325 35 35 HIS HA H 4.916 0.030 1 326 35 35 HIS CB C 28.387 0.300 1 327 35 35 HIS HB2 H 3.283 0.030 2 328 35 35 HIS HB3 H 3.369 0.030 2 329 35 35 HIS CD2 C 127.594 0.300 1 330 35 35 HIS HD2 H 6.717 0.030 1 331 35 35 HIS CE1 C 140.421 0.300 1 332 35 35 HIS HE1 H 8.117 0.030 1 333 35 35 HIS C C 175.585 0.300 1 334 36 36 THR N N 112.446 0.300 1 335 36 36 THR H H 7.752 0.030 1 336 36 36 THR CA C 62.671 0.300 1 337 36 36 THR HA H 4.329 0.030 1 338 36 36 THR CB C 69.763 0.300 1 339 36 36 THR HB H 4.311 0.030 1 340 36 36 THR CG2 C 21.603 0.300 1 341 36 36 THR HG2 H 1.236 0.030 1 342 36 36 THR C C 175.346 0.300 1 343 37 37 GLY N N 110.884 0.300 1 344 37 37 GLY H H 8.312 0.030 1 345 37 37 GLY CA C 45.315 0.300 1 346 37 37 GLY HA2 H 3.987 0.030 1 347 37 37 GLY HA3 H 3.987 0.030 1 348 37 37 GLY C C 174.024 0.300 1 349 38 38 GLU N N 120.586 0.300 1 350 38 38 GLU H H 8.084 0.030 1 351 38 38 GLU CA C 56.427 0.300 1 352 38 38 GLU HA H 4.248 0.030 1 353 38 38 GLU CB C 30.573 0.300 1 354 38 38 GLU HB2 H 2.001 0.030 2 355 38 38 GLU HB3 H 1.921 0.030 2 356 38 38 GLU CG C 36.311 0.300 1 357 38 38 GLU HG2 H 2.219 0.030 2 358 38 38 GLU HG3 H 2.262 0.030 2 359 38 38 GLU C C 176.226 0.300 1 360 39 39 LYS N N 123.823 0.300 1 361 39 39 LYS H H 8.425 0.030 1 362 39 39 LYS CA C 54.118 0.300 1 363 39 39 LYS HA H 4.604 0.030 1 364 39 39 LYS CB C 32.536 0.300 1 365 39 39 LYS HB2 H 1.724 0.030 2 366 39 39 LYS HB3 H 1.818 0.030 2 367 39 39 LYS CG C 24.486 0.300 1 368 39 39 LYS HG2 H 1.460 0.030 1 369 39 39 LYS HG3 H 1.460 0.030 1 370 39 39 LYS CD C 29.162 0.300 1 371 39 39 LYS HD2 H 1.689 0.030 1 372 39 39 LYS HD3 H 1.689 0.030 1 373 39 39 LYS CE C 42.106 0.300 1 374 39 39 LYS HE2 H 2.927 0.030 1 375 39 39 LYS HE3 H 2.927 0.030 1 376 39 39 LYS C C 174.461 0.300 1 377 40 40 PRO CA C 63.231 0.300 1 378 40 40 PRO HA H 4.460 0.030 1 379 40 40 PRO CB C 32.200 0.300 1 380 40 40 PRO HB2 H 2.297 0.030 2 381 40 40 PRO HB3 H 1.970 0.030 2 382 40 40 PRO CG C 27.377 0.300 1 383 40 40 PRO HG2 H 2.020 0.030 1 384 40 40 PRO HG3 H 2.020 0.030 1 385 40 40 PRO CD C 50.705 0.300 1 386 40 40 PRO HD2 H 3.638 0.030 2 387 40 40 PRO HD3 H 3.821 0.030 2 388 40 40 PRO C C 176.951 0.300 1 389 41 41 SER N N 116.497 0.300 1 390 41 41 SER H H 8.475 0.030 1 391 41 41 SER CA C 58.375 0.300 1 392 41 41 SER HA H 4.491 0.030 1 393 41 41 SER CB C 63.953 0.300 1 394 41 41 SER HB2 H 3.894 0.030 2 395 41 41 SER C C 174.588 0.300 1 396 42 42 GLY CA C 44.665 0.300 1 397 42 42 GLY HA2 H 4.111 0.030 2 398 42 42 GLY HA3 H 4.153 0.030 2 399 43 43 PRO CA C 63.238 0.300 1 400 43 43 PRO HA H 4.467 0.030 1 401 43 43 PRO CB C 32.174 0.300 1 402 43 43 PRO HB2 H 1.936 0.030 2 403 43 43 PRO HB3 H 2.324 0.030 2 404 43 43 PRO CG C 27.176 0.300 1 405 43 43 PRO HG2 H 2.015 0.030 1 406 43 43 PRO HG3 H 2.015 0.030 1 407 43 43 PRO CD C 49.835 0.300 1 408 43 43 PRO HD2 H 3.624 0.030 1 409 43 43 PRO HD3 H 3.624 0.030 1 410 45 45 SER CA C 58.360 0.300 1 411 45 45 SER HA H 4.482 0.030 1 412 45 45 SER CB C 64.038 0.300 1 413 45 45 SER HB2 H 3.884 0.030 1 414 45 45 SER HB3 H 3.884 0.030 1 415 45 45 SER C C 173.890 0.300 1 416 46 46 GLY N N 116.864 0.300 1 417 46 46 GLY H H 8.056 0.030 1 418 46 46 GLY CA C 46.196 0.300 1 419 46 46 GLY HA2 H 3.778 0.030 1 420 46 46 GLY HA3 H 3.778 0.030 1 421 46 46 GLY C C 178.965 0.300 1 stop_ save_