data_10227 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 551-583) of human Zinc finger protein 268 ; _BMRB_accession_number 10227 _BMRB_flat_file_name bmr10227.str _Entry_type new _Submission_date 2008-08-19 _Accession_date 2008-08-20 _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" 212 "13C chemical shifts" 152 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-19 original author . stop_ 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 551-583) of human Zinc finger protein 268 ; _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 268' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2, UNP residues 551-583' $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 551-583' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGENPYECHECGK AFSRKYQLISHQRTHAGEKP 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 ASN 12 PRO 13 TYR 14 GLU 15 CYS 16 HIS 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 SER 24 ARG 25 LYS 26 TYR 27 GLN 28 LEU 29 ILE 30 SER 31 HIS 32 GLN 33 ARG 34 THR 35 HIS 36 ALA 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 2015-06-23 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 2EMY "Solution Structure Of The C2h2 Type Zinc Finger (Region 551- 583) Of Human Zinc Finger Protein 268" 100.00 46 100.00 100.00 4.97e-23 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single coordination 'zf-C2H2, UNP residues 551-583' 15 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 551-583' 18 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 551-583' 31 HIS NE2 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 551-583' 35 HIS NE2 'ZINC ION' . . ZN stop_ loop_ _Deleted_atom_mol_system_component_name _Deleted_atom_residue_seq_code _Deleted_atom_residue_label _Deleted_atom_name 'zf-C2H2, UNP residues 551-583' 15 CYS HG 'zf-C2H2, UNP residues 551-583' 18 CYS HG 'zf-C2H2, UNP residues 551-583' 31 HIS HE2 'zf-C2H2, UNP residues 551-583' 35 HIS HE2 stop_ 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 P061218-11 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 'structure solution' refinement 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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, UNP residues 551-583' _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 4.007 0.030 1 2 7 7 GLY HA3 H 4.007 0.030 1 3 7 7 GLY C C 174.477 0.300 1 4 7 7 GLY CA C 45.398 0.300 1 5 8 8 THR H H 8.136 0.030 1 6 8 8 THR HA H 4.362 0.030 1 7 8 8 THR HB H 4.281 0.030 1 8 8 8 THR HG2 H 1.178 0.030 1 9 8 8 THR C C 175.239 0.300 1 10 8 8 THR CA C 61.653 0.300 1 11 8 8 THR CB C 69.822 0.300 1 12 8 8 THR CG2 C 21.431 0.300 1 13 8 8 THR N N 112.770 0.300 1 14 9 9 GLY H H 8.425 0.030 1 15 9 9 GLY HA2 H 3.967 0.030 2 16 9 9 GLY HA3 H 3.897 0.030 2 17 9 9 GLY C C 173.998 0.300 1 18 9 9 GLY CA C 45.295 0.300 1 19 9 9 GLY N N 110.930 0.300 1 20 10 10 GLU H H 8.184 0.030 1 21 10 10 GLU HA H 4.190 0.030 1 22 10 10 GLU HB2 H 1.987 0.030 2 23 10 10 GLU HB3 H 1.841 0.030 2 24 10 10 GLU HG2 H 2.184 0.030 1 25 10 10 GLU HG3 H 2.184 0.030 1 26 10 10 GLU C C 175.905 0.300 1 27 10 10 GLU CA C 56.816 0.300 1 28 10 10 GLU CB C 30.490 0.300 1 29 10 10 GLU CG C 36.019 0.300 1 30 10 10 GLU N N 119.839 0.300 1 31 11 11 ASN H H 8.336 0.030 1 32 11 11 ASN HA H 4.872 0.030 1 33 11 11 ASN HB2 H 2.490 0.030 2 34 11 11 ASN HB3 H 2.286 0.030 2 35 11 11 ASN HD21 H 7.341 0.030 2 36 11 11 ASN HD22 H 6.721 0.030 2 37 11 11 ASN C C 172.608 0.300 1 38 11 11 ASN CA C 51.221 0.300 1 39 11 11 ASN CB C 39.327 0.300 1 40 11 11 ASN N N 119.052 0.300 1 41 11 11 ASN ND2 N 113.254 0.300 1 42 12 12 PRO HA H 4.264 0.030 1 43 12 12 PRO HB2 H 1.998 0.030 2 44 12 12 PRO HB3 H 1.247 0.030 2 45 12 12 PRO HD2 H 3.638 0.030 1 46 12 12 PRO HD3 H 3.638 0.030 1 47 12 12 PRO HG2 H 1.774 0.030 2 48 12 12 PRO HG3 H 1.508 0.030 2 49 12 12 PRO C C 176.384 0.300 1 50 12 12 PRO CA C 63.452 0.300 1 51 12 12 PRO CB C 32.238 0.300 1 52 12 12 PRO CD C 50.276 0.300 1 53 12 12 PRO CG C 26.788 0.300 1 54 13 13 TYR H H 7.915 0.030 1 55 13 13 TYR HA H 4.630 0.030 1 56 13 13 TYR HB2 H 2.952 0.030 2 57 13 13 TYR HB3 H 2.825 0.030 2 58 13 13 TYR HD1 H 6.994 0.030 1 59 13 13 TYR HD2 H 6.994 0.030 1 60 13 13 TYR HE1 H 6.886 0.030 1 61 13 13 TYR HE2 H 6.886 0.030 1 62 13 13 TYR C C 174.410 0.300 1 63 13 13 TYR CA C 57.169 0.300 1 64 13 13 TYR CB C 38.062 0.300 1 65 13 13 TYR CD1 C 133.061 0.300 1 66 13 13 TYR CD2 C 133.061 0.300 1 67 13 13 TYR CE1 C 118.443 0.300 1 68 13 13 TYR CE2 C 118.443 0.300 1 69 13 13 TYR N N 118.491 0.300 1 70 14 14 GLU H H 8.391 0.030 1 71 14 14 GLU HA H 4.767 0.030 1 72 14 14 GLU HB2 H 1.794 0.030 1 73 14 14 GLU HB3 H 1.794 0.030 1 74 14 14 GLU HG2 H 1.983 0.030 2 75 14 14 GLU HG3 H 1.867 0.030 2 76 14 14 GLU C C 174.879 0.300 1 77 14 14 GLU CA C 55.103 0.300 1 78 14 14 GLU CB C 32.827 0.300 1 79 14 14 GLU CG C 36.431 0.300 1 80 14 14 GLU N N 124.387 0.300 1 81 15 15 CYS H H 9.266 0.030 1 82 15 15 CYS HA H 4.543 0.030 1 83 15 15 CYS HB2 H 3.418 0.030 2 84 15 15 CYS HB3 H 2.816 0.030 2 85 15 15 CYS C C 177.019 0.300 1 86 15 15 CYS CA C 59.235 0.300 1 87 15 15 CYS CB C 29.540 0.300 1 88 15 15 CYS N N 126.125 0.300 1 89 16 16 HIS HA H 4.581 0.030 1 90 16 16 HIS HB2 H 3.261 0.030 1 91 16 16 HIS HB3 H 3.261 0.030 1 92 16 16 HIS HD2 H 7.153 0.030 1 93 16 16 HIS HE1 H 8.077 0.030 1 94 16 16 HIS C C 175.444 0.300 1 95 16 16 HIS CA C 58.116 0.300 1 96 16 16 HIS CB C 29.448 0.300 1 97 16 16 HIS CD2 C 119.670 0.300 1 98 16 16 HIS CE1 C 138.071 0.300 1 99 16 16 HIS N N 120.818 0.300 1 100 17 17 GLU H H 8.532 0.030 1 101 17 17 GLU HA H 4.154 0.030 1 102 17 17 GLU HB2 H 1.394 0.030 1 103 17 17 GLU HB3 H 1.394 0.030 1 104 17 17 GLU HG2 H 1.830 0.030 2 105 17 17 GLU HG3 H 1.686 0.030 2 106 17 17 GLU C C 177.167 0.300 1 107 17 17 GLU CA C 58.373 0.300 1 108 17 17 GLU CB C 29.496 0.300 1 109 17 17 GLU CG C 35.606 0.300 1 110 17 17 GLU N N 120.802 0.300 1 111 18 18 CYS H H 7.828 0.030 1 112 18 18 CYS HA H 5.133 0.030 1 113 18 18 CYS HB2 H 3.389 0.030 2 114 18 18 CYS HB3 H 2.837 0.030 2 115 18 18 CYS C C 176.064 0.300 1 116 18 18 CYS CA C 58.259 0.300 1 117 18 18 CYS CB C 32.515 0.300 1 118 18 18 CYS N N 114.288 0.300 1 119 19 19 GLY H H 8.215 0.030 1 120 19 19 GLY HA2 H 3.863 0.030 2 121 19 19 GLY HA3 H 4.207 0.030 2 122 19 19 GLY C C 173.989 0.300 1 123 19 19 GLY CA C 46.144 0.300 1 124 19 19 GLY N N 113.636 0.300 1 125 20 20 LYS H H 7.895 0.030 1 126 20 20 LYS HA H 3.938 0.030 1 127 20 20 LYS HB2 H 1.294 0.030 2 128 20 20 LYS HB3 H 1.161 0.030 2 129 20 20 LYS HD2 H 1.459 0.030 1 130 20 20 LYS HD3 H 1.459 0.030 1 131 20 20 LYS HE2 H 2.960 0.030 2 132 20 20 LYS HE3 H 2.905 0.030 2 133 20 20 LYS HG2 H 1.386 0.030 2 134 20 20 LYS HG3 H 1.098 0.030 2 135 20 20 LYS C C 173.489 0.300 1 136 20 20 LYS CA C 57.884 0.300 1 137 20 20 LYS CB C 33.788 0.300 1 138 20 20 LYS CD C 29.169 0.300 1 139 20 20 LYS CE C 42.117 0.300 1 140 20 20 LYS CG C 26.294 0.300 1 141 20 20 LYS N N 122.674 0.300 1 142 21 21 ALA H H 7.745 0.030 1 143 21 21 ALA HA H 5.041 0.030 1 144 21 21 ALA HB H 1.179 0.030 1 145 21 21 ALA C C 176.127 0.300 1 146 21 21 ALA CA C 50.368 0.300 1 147 21 21 ALA CB C 22.257 0.300 1 148 21 21 ALA N N 123.181 0.300 1 149 22 22 PHE H H 8.499 0.030 1 150 22 22 PHE HA H 4.707 0.030 1 151 22 22 PHE HB2 H 3.460 0.030 2 152 22 22 PHE HB3 H 2.567 0.030 2 153 22 22 PHE HD1 H 7.125 0.030 1 154 22 22 PHE HD2 H 7.125 0.030 1 155 22 22 PHE HE1 H 6.796 0.030 1 156 22 22 PHE HE2 H 6.796 0.030 1 157 22 22 PHE HZ H 6.176 0.030 1 158 22 22 PHE C C 175.514 0.300 1 159 22 22 PHE CA C 57.024 0.300 1 160 22 22 PHE CB C 43.573 0.300 1 161 22 22 PHE CD1 C 132.305 0.300 1 162 22 22 PHE CD2 C 132.305 0.300 1 163 22 22 PHE CE1 C 130.536 0.300 1 164 22 22 PHE CE2 C 130.536 0.300 1 165 22 22 PHE CZ C 128.664 0.300 1 166 22 22 PHE N N 117.063 0.300 1 167 23 23 SER H H 8.920 0.030 1 168 23 23 SER HA H 4.679 0.030 1 169 23 23 SER HB2 H 4.124 0.030 1 170 23 23 SER HB3 H 4.124 0.030 1 171 23 23 SER C C 174.739 0.300 1 172 23 23 SER CA C 60.211 0.300 1 173 23 23 SER CB C 64.285 0.300 1 174 23 23 SER N N 115.806 0.300 1 175 24 24 ARG H H 7.566 0.030 1 176 24 24 ARG HA H 4.797 0.030 1 177 24 24 ARG HB2 H 1.712 0.030 2 178 24 24 ARG HB3 H 1.117 0.030 2 179 24 24 ARG HD2 H 3.399 0.030 2 180 24 24 ARG HD3 H 3.226 0.030 2 181 24 24 ARG HG2 H 1.711 0.030 2 182 24 24 ARG HG3 H 1.661 0.030 2 183 24 24 ARG C C 176.488 0.300 1 184 24 24 ARG CA C 53.323 0.300 1 185 24 24 ARG CB C 33.751 0.300 1 186 24 24 ARG CD C 43.148 0.300 1 187 24 24 ARG CG C 26.542 0.300 1 188 24 24 ARG N N 117.138 0.300 1 189 25 25 LYS H H 8.511 0.030 1 190 25 25 LYS HA H 2.879 0.030 1 191 25 25 LYS HB2 H 1.132 0.030 2 192 25 25 LYS HB3 H 1.626 0.030 2 193 25 25 LYS HD2 H 1.607 0.030 2 194 25 25 LYS HD3 H 1.450 0.030 2 195 25 25 LYS HE2 H 2.959 0.030 2 196 25 25 LYS HE3 H 2.901 0.030 2 197 25 25 LYS HG2 H 1.200 0.030 2 198 25 25 LYS HG3 H 1.026 0.030 2 199 25 25 LYS C C 178.784 0.300 1 200 25 25 LYS CA C 59.821 0.300 1 201 25 25 LYS CB C 31.540 0.300 1 202 25 25 LYS CD C 29.096 0.300 1 203 25 25 LYS CE C 42.117 0.300 1 204 25 25 LYS CG C 24.892 0.300 1 205 25 25 LYS N N 116.581 0.300 1 206 26 26 TYR H H 8.189 0.030 1 207 26 26 TYR HA H 4.155 0.030 1 208 26 26 TYR HB2 H 3.148 0.030 2 209 26 26 TYR HB3 H 2.943 0.030 2 210 26 26 TYR HD1 H 7.094 0.030 1 211 26 26 TYR HD2 H 7.094 0.030 1 212 26 26 TYR HE1 H 6.814 0.030 1 213 26 26 TYR HE2 H 6.814 0.030 1 214 26 26 TYR C C 177.714 0.300 1 215 26 26 TYR CA C 60.191 0.300 1 216 26 26 TYR CB C 36.264 0.300 1 217 26 26 TYR CD1 C 133.697 0.300 1 218 26 26 TYR CD2 C 133.697 0.300 1 219 26 26 TYR CE1 C 118.456 0.300 1 220 26 26 TYR CE2 C 118.456 0.300 1 221 26 26 TYR N N 114.321 0.300 1 222 27 27 GLN H H 6.421 0.030 1 223 27 27 GLN HA H 3.781 0.030 1 224 27 27 GLN HB2 H 2.267 0.030 2 225 27 27 GLN HB3 H 1.790 0.030 2 226 27 27 GLN HE21 H 7.277 0.030 2 227 27 27 GLN HE22 H 6.976 0.030 2 228 27 27 GLN HG2 H 2.248 0.030 2 229 27 27 GLN HG3 H 1.470 0.030 2 230 27 27 GLN C C 178.492 0.300 1 231 27 27 GLN CA C 57.318 0.300 1 232 27 27 GLN CB C 28.324 0.300 1 233 27 27 GLN CG C 33.958 0.300 1 234 27 27 GLN N N 119.701 0.300 1 235 27 27 GLN NE2 N 110.176 0.300 1 236 28 28 LEU H H 6.727 0.030 1 237 28 28 LEU HA H 3.340 0.030 1 238 28 28 LEU HB2 H 1.999 0.030 2 239 28 28 LEU HB3 H 1.291 0.030 2 240 28 28 LEU HD1 H 0.991 0.030 1 241 28 28 LEU HD2 H 1.009 0.030 1 242 28 28 LEU HG H 1.492 0.030 1 243 28 28 LEU C C 177.564 0.300 1 244 28 28 LEU CA C 57.865 0.300 1 245 28 28 LEU CB C 40.440 0.300 1 246 28 28 LEU CD1 C 26.294 0.300 2 247 28 28 LEU CD2 C 22.585 0.300 2 248 28 28 LEU CG C 27.497 0.300 1 249 28 28 LEU N N 121.434 0.300 1 250 29 29 ILE H H 7.970 0.030 1 251 29 29 ILE HA H 3.741 0.030 1 252 29 29 ILE HB H 1.742 0.030 1 253 29 29 ILE HD1 H 0.773 0.030 1 254 29 29 ILE HG12 H 1.508 0.030 2 255 29 29 ILE HG13 H 1.229 0.030 2 256 29 29 ILE HG2 H 0.877 0.030 1 257 29 29 ILE C C 179.163 0.300 1 258 29 29 ILE CA C 64.518 0.300 1 259 29 29 ILE CB C 37.255 0.300 1 260 29 29 ILE CD1 C 12.247 0.300 1 261 29 29 ILE CG1 C 28.519 0.300 1 262 29 29 ILE CG2 C 17.048 0.300 1 263 29 29 ILE N N 119.312 0.300 1 264 30 30 SER H H 7.665 0.030 1 265 30 30 SER HA H 4.091 0.030 1 266 30 30 SER HB2 H 3.842 0.030 2 267 30 30 SER HB3 H 3.804 0.030 2 268 30 30 SER C C 177.361 0.300 1 269 30 30 SER CA C 61.460 0.300 1 270 30 30 SER CB C 62.526 0.300 1 271 30 30 SER N N 113.605 0.300 1 272 31 31 HIS H H 7.600 0.030 1 273 31 31 HIS HA H 4.237 0.030 1 274 31 31 HIS HB2 H 3.090 0.030 2 275 31 31 HIS HB3 H 2.837 0.030 2 276 31 31 HIS HD2 H 6.907 0.030 1 277 31 31 HIS HE1 H 7.976 0.030 1 278 31 31 HIS C C 177.843 0.300 1 279 31 31 HIS CA C 59.125 0.300 1 280 31 31 HIS CB C 28.478 0.300 1 281 31 31 HIS CD2 C 127.164 0.300 1 282 31 31 HIS CE1 C 139.795 0.300 1 283 31 31 HIS N N 120.473 0.300 1 284 32 32 GLN H H 8.815 0.030 1 285 32 32 GLN HA H 3.691 0.030 1 286 32 32 GLN HB2 H 2.360 0.030 2 287 32 32 GLN HB3 H 2.184 0.030 2 288 32 32 GLN HE21 H 7.688 0.030 2 289 32 32 GLN HE22 H 6.952 0.030 2 290 32 32 GLN HG2 H 2.842 0.030 2 291 32 32 GLN HG3 H 2.771 0.030 2 292 32 32 GLN C C 178.072 0.300 1 293 32 32 GLN CA C 59.764 0.300 1 294 32 32 GLN CB C 27.967 0.300 1 295 32 32 GLN CG C 35.689 0.300 1 296 32 32 GLN N N 120.188 0.300 1 297 32 32 GLN NE2 N 111.946 0.300 1 298 33 33 ARG H H 7.307 0.030 1 299 33 33 ARG HA H 4.124 0.030 1 300 33 33 ARG HB2 H 1.917 0.030 1 301 33 33 ARG HB3 H 1.917 0.030 1 302 33 33 ARG HD2 H 3.228 0.030 1 303 33 33 ARG HD3 H 3.228 0.030 1 304 33 33 ARG HG2 H 1.873 0.030 2 305 33 33 ARG HG3 H 1.714 0.030 2 306 33 33 ARG C C 178.441 0.300 1 307 33 33 ARG CA C 58.665 0.300 1 308 33 33 ARG CB C 29.859 0.300 1 309 33 33 ARG CD C 43.436 0.300 1 310 33 33 ARG CG C 27.447 0.300 1 311 33 33 ARG N N 118.223 0.300 1 312 34 34 THR H H 7.731 0.030 1 313 34 34 THR HA H 4.123 0.030 1 314 34 34 THR HB H 4.009 0.030 1 315 34 34 THR HG2 H 1.126 0.030 1 316 34 34 THR C C 175.609 0.300 1 317 34 34 THR CA C 63.859 0.300 1 318 34 34 THR CB C 69.118 0.300 1 319 34 34 THR CG2 C 21.019 0.300 1 320 34 34 THR N N 109.975 0.300 1 321 35 35 HIS H H 7.062 0.030 1 322 35 35 HIS HA H 4.799 0.030 1 323 35 35 HIS HB2 H 3.322 0.030 2 324 35 35 HIS HB3 H 3.095 0.030 2 325 35 35 HIS HD2 H 6.623 0.030 1 326 35 35 HIS HE1 H 7.976 0.030 1 327 35 35 HIS C C 175.092 0.300 1 328 35 35 HIS CA C 55.122 0.300 1 329 35 35 HIS CB C 28.756 0.300 1 330 35 35 HIS CD2 C 126.893 0.300 1 331 35 35 HIS CE1 C 139.794 0.300 1 332 35 35 HIS N N 118.423 0.300 1 333 36 36 ALA H H 7.630 0.030 1 334 36 36 ALA HA H 4.347 0.030 1 335 36 36 ALA HB H 1.458 0.030 1 336 36 36 ALA C C 178.040 0.300 1 337 36 36 ALA CA C 53.136 0.300 1 338 36 36 ALA CB C 19.243 0.300 1 339 36 36 ALA N N 123.035 0.300 1 340 37 37 GLY H H 8.237 0.030 1 341 37 37 GLY HA2 H 3.966 0.030 1 342 37 37 GLY HA3 H 3.966 0.030 1 343 37 37 GLY C C 174.074 0.300 1 344 37 37 GLY CA C 45.231 0.300 1 345 37 37 GLY N N 107.712 0.300 1 346 38 38 GLU H H 8.092 0.030 1 347 38 38 GLU HA H 4.283 0.030 1 348 38 38 GLU HB2 H 2.016 0.030 2 349 38 38 GLU HB3 H 1.937 0.030 2 350 38 38 GLU HG2 H 2.287 0.030 2 351 38 38 GLU HG3 H 2.233 0.030 2 352 38 38 GLU C C 176.336 0.300 1 353 38 38 GLU CA C 56.392 0.300 1 354 38 38 GLU CB C 30.516 0.300 1 355 38 38 GLU CG C 36.266 0.300 1 356 38 38 GLU N N 120.352 0.300 1 357 39 39 LYS H H 8.396 0.030 1 358 39 39 LYS HA H 4.623 0.030 1 359 39 39 LYS HB2 H 1.823 0.030 2 360 39 39 LYS HB3 H 1.732 0.030 2 361 39 39 LYS HD2 H 1.694 0.030 1 362 39 39 LYS HD3 H 1.694 0.030 1 363 39 39 LYS HE2 H 3.003 0.030 1 364 39 39 LYS HE3 H 3.003 0.030 1 365 39 39 LYS HG2 H 1.472 0.030 1 366 39 39 LYS HG3 H 1.472 0.030 1 367 39 39 LYS C C 174.472 0.300 1 368 39 39 LYS CA C 54.053 0.300 1 369 39 39 LYS CB C 32.429 0.300 1 370 39 39 LYS CD C 29.110 0.300 1 371 39 39 LYS CE C 42.231 0.300 1 372 39 39 LYS CG C 24.431 0.300 1 373 39 39 LYS N N 123.622 0.300 1 374 40 40 PRO HA H 4.467 0.030 1 375 40 40 PRO HB2 H 2.313 0.030 2 376 40 40 PRO HB3 H 1.938 0.030 2 377 40 40 PRO HD2 H 3.829 0.030 2 378 40 40 PRO HD3 H 3.641 0.030 2 379 40 40 PRO HG2 H 2.017 0.030 1 380 40 40 PRO HG3 H 2.017 0.030 1 381 40 40 PRO CA C 63.263 0.300 1 382 40 40 PRO CB C 32.140 0.300 1 383 40 40 PRO CD C 50.696 0.300 1 384 40 40 PRO CG C 27.364 0.300 1 385 42 42 GLY HA2 H 4.163 0.030 2 386 42 42 GLY HA3 H 4.097 0.030 2 387 42 42 GLY CA C 44.650 0.300 1 388 43 43 PRO HA H 4.432 0.030 1 389 43 43 PRO HB2 H 2.261 0.030 1 390 43 43 PRO HB3 H 2.261 0.030 1 391 43 43 PRO HD2 H 3.622 0.030 1 392 43 43 PRO HD3 H 3.622 0.030 1 393 43 43 PRO HG2 H 1.976 0.030 1 394 43 43 PRO HG3 H 1.976 0.030 1 395 43 43 PRO CA C 63.073 0.300 1 396 43 43 PRO CB C 32.138 0.300 1 397 43 43 PRO CD C 49.856 0.300 1 398 43 43 PRO CG C 27.000 0.300 1 stop_ save_