data_10229 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 385-413) of human Zinc finger protein 268 ; _BMRB_accession_number 10229 _BMRB_flat_file_name bmr10229.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" 199 "13C chemical shifts" 148 "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 385-413) 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 $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 disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; GSSGSSGQKPYVCNECGKAF GLKSQLIIHERIHTGESGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 LYS 10 PRO 11 TYR 12 VAL 13 CYS 14 ASN 15 GLU 16 CYS 17 GLY 18 LYS 19 ALA 20 PHE 21 GLY 22 LEU 23 LYS 24 SER 25 GLN 26 LEU 27 ILE 28 ILE 29 HIS 30 GLU 31 ARG 32 ILE 33 HIS 34 THR 35 GLY 36 GLU 37 SER 38 GLY 39 PRO 40 SER 41 SER 42 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 2EN0 "Solution Structure Of The C2h2 Type Zinc Finger (Region 385- 413) Of Human Zinc Finger Protein 268" 100.00 42 100.00 100.00 5.22e-20 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 13 CYS SG 'ZINC ION' . . ZN single coordination zf-C2H2 16 CYS SG 'ZINC ION' . . ZN single coordination zf-C2H2 29 HIS NE2 'ZINC ION' . . ZN single coordination zf-C2H2 33 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 13 CYS HG zf-C2H2 16 CYS HG zf-C2H2 29 HIS HE2 zf-C2H2 33 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 P061218-05 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 '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 _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 3.956 0.030 1 2 7 7 GLY HA3 H 3.956 0.030 1 3 7 7 GLY C C 174.066 0.300 1 4 7 7 GLY CA C 45.322 0.300 1 5 8 8 GLN H H 8.173 0.030 1 6 8 8 GLN HA H 4.244 0.030 1 7 8 8 GLN HB2 H 2.049 0.030 2 8 8 8 GLN HB3 H 1.949 0.030 2 9 8 8 GLN HE21 H 7.538 0.030 2 10 8 8 GLN HE22 H 6.859 0.030 2 11 8 8 GLN HG2 H 2.337 0.030 1 12 8 8 GLN HG3 H 2.337 0.030 1 13 8 8 GLN C C 176.010 0.300 1 14 8 8 GLN CA C 56.057 0.300 1 15 8 8 GLN CB C 29.452 0.300 1 16 8 8 GLN CG C 33.895 0.300 1 17 8 8 GLN N N 119.348 0.300 1 18 8 8 GLN NE2 N 112.668 0.300 1 19 9 9 LYS H H 8.307 0.030 1 20 9 9 LYS HA H 4.522 0.030 1 21 9 9 LYS HB2 H 1.537 0.030 2 22 9 9 LYS HB3 H 1.369 0.030 2 23 9 9 LYS HD2 H 1.510 0.030 2 24 9 9 LYS HD3 H 1.462 0.030 2 25 9 9 LYS HE2 H 2.908 0.030 1 26 9 9 LYS HE3 H 2.908 0.030 1 27 9 9 LYS HG2 H 1.309 0.030 2 28 9 9 LYS HG3 H 1.130 0.030 2 29 9 9 LYS C C 173.766 0.300 1 30 9 9 LYS CA C 53.843 0.300 1 31 9 9 LYS CB C 33.164 0.300 1 32 9 9 LYS CD C 29.492 0.300 1 33 9 9 LYS CE C 42.271 0.300 1 34 9 9 LYS CG C 24.821 0.300 1 35 9 9 LYS N N 122.358 0.300 1 36 10 10 PRO HA H 4.279 0.030 1 37 10 10 PRO HB2 H 2.006 0.030 2 38 10 10 PRO HB3 H 1.235 0.030 2 39 10 10 PRO HD2 H 3.659 0.030 2 40 10 10 PRO HD3 H 3.594 0.030 2 41 10 10 PRO HG2 H 1.774 0.030 2 42 10 10 PRO HG3 H 1.502 0.030 2 43 10 10 PRO C C 176.401 0.300 1 44 10 10 PRO CA C 63.416 0.300 1 45 10 10 PRO CB C 32.288 0.300 1 46 10 10 PRO CD C 50.144 0.300 1 47 10 10 PRO CG C 26.456 0.300 1 48 11 11 TYR H H 7.923 0.030 1 49 11 11 TYR HA H 4.623 0.030 1 50 11 11 TYR HB2 H 2.984 0.030 2 51 11 11 TYR HB3 H 2.861 0.030 2 52 11 11 TYR HD1 H 7.051 0.030 1 53 11 11 TYR HD2 H 7.051 0.030 1 54 11 11 TYR HE1 H 6.920 0.030 1 55 11 11 TYR HE2 H 6.920 0.030 1 56 11 11 TYR C C 174.286 0.300 1 57 11 11 TYR CA C 57.971 0.300 1 58 11 11 TYR CB C 38.024 0.300 1 59 11 11 TYR CD1 C 133.309 0.300 1 60 11 11 TYR CD2 C 133.309 0.300 1 61 11 11 TYR CE1 C 118.465 0.300 1 62 11 11 TYR CE2 C 118.465 0.300 1 63 11 11 TYR N N 119.366 0.300 1 64 12 12 VAL H H 8.401 0.030 1 65 12 12 VAL HA H 4.579 0.030 1 66 12 12 VAL HB H 1.838 0.030 1 67 12 12 VAL HG1 H 0.737 0.030 1 68 12 12 VAL HG2 H 0.800 0.030 1 69 12 12 VAL C C 175.233 0.300 1 70 12 12 VAL CA C 61.292 0.300 1 71 12 12 VAL CB C 34.524 0.300 1 72 12 12 VAL CG1 C 20.915 0.300 2 73 12 12 VAL CG2 C 21.316 0.300 2 74 12 12 VAL N N 125.266 0.300 1 75 13 13 CYS H H 9.209 0.030 1 76 13 13 CYS HA H 4.594 0.030 1 77 13 13 CYS HB2 H 2.907 0.030 2 78 13 13 CYS HB3 H 3.372 0.030 2 79 13 13 CYS C C 177.334 0.300 1 80 13 13 CYS CA C 59.708 0.300 1 81 13 13 CYS CB C 29.650 0.300 1 82 13 13 CYS N N 129.222 0.300 1 83 14 14 ASN H H 9.507 0.030 1 84 14 14 ASN HA H 4.511 0.030 1 85 14 14 ASN HB2 H 2.904 0.030 2 86 14 14 ASN HB3 H 2.859 0.030 2 87 14 14 ASN HD21 H 7.784 0.030 2 88 14 14 ASN HD22 H 6.966 0.030 2 89 14 14 ASN C C 175.327 0.300 1 90 14 14 ASN CA C 55.760 0.300 1 91 14 14 ASN CB C 38.946 0.300 1 92 14 14 ASN N N 130.952 0.300 1 93 14 14 ASN ND2 N 113.934 0.300 1 94 15 15 GLU H H 8.759 0.030 1 95 15 15 GLU HA H 4.236 0.030 1 96 15 15 GLU HB2 H 1.366 0.030 2 97 15 15 GLU HB3 H 1.277 0.030 2 98 15 15 GLU HG2 H 1.753 0.030 2 99 15 15 GLU HG3 H 1.823 0.030 2 100 15 15 GLU C C 177.222 0.300 1 101 15 15 GLU CA C 58.127 0.300 1 102 15 15 GLU CB C 29.464 0.300 1 103 15 15 GLU CG C 35.175 0.300 1 104 15 15 GLU N N 120.367 0.300 1 105 16 16 CYS H H 8.075 0.030 1 106 16 16 CYS HA H 5.189 0.030 1 107 16 16 CYS HB2 H 2.815 0.030 2 108 16 16 CYS HB3 H 3.445 0.030 2 109 16 16 CYS C C 176.487 0.300 1 110 16 16 CYS CA C 58.273 0.300 1 111 16 16 CYS CB C 32.589 0.300 1 112 16 16 CYS N N 115.028 0.300 1 113 17 17 GLY H H 8.119 0.030 1 114 17 17 GLY HA2 H 3.740 0.030 2 115 17 17 GLY HA3 H 4.184 0.030 2 116 17 17 GLY C C 173.579 0.300 1 117 17 17 GLY CA C 46.154 0.300 1 118 17 17 GLY N N 113.446 0.300 1 119 18 18 LYS H H 7.999 0.030 1 120 18 18 LYS HA H 3.902 0.030 1 121 18 18 LYS HB2 H 1.162 0.030 2 122 18 18 LYS HB3 H 1.417 0.030 2 123 18 18 LYS HD2 H 1.515 0.030 2 124 18 18 LYS HD3 H 1.460 0.030 2 125 18 18 LYS HE2 H 2.974 0.030 2 126 18 18 LYS HE3 H 2.905 0.030 2 127 18 18 LYS HG2 H 1.359 0.030 2 128 18 18 LYS HG3 H 1.043 0.030 2 129 18 18 LYS C C 173.431 0.300 1 130 18 18 LYS CA C 58.308 0.300 1 131 18 18 LYS CB C 33.373 0.300 1 132 18 18 LYS CD C 29.384 0.300 1 133 18 18 LYS CE C 42.191 0.300 1 134 18 18 LYS CG C 26.207 0.300 1 135 18 18 LYS N N 123.594 0.300 1 136 19 19 ALA H H 7.690 0.030 1 137 19 19 ALA HA H 5.156 0.030 1 138 19 19 ALA HB H 1.211 0.030 1 139 19 19 ALA C C 176.397 0.300 1 140 19 19 ALA CA C 50.116 0.300 1 141 19 19 ALA CB C 22.761 0.300 1 142 19 19 ALA N N 124.433 0.300 1 143 20 20 PHE H H 8.988 0.030 1 144 20 20 PHE HA H 4.671 0.030 1 145 20 20 PHE HB2 H 2.733 0.030 2 146 20 20 PHE HB3 H 3.502 0.030 2 147 20 20 PHE HD1 H 7.203 0.030 1 148 20 20 PHE HD2 H 7.203 0.030 1 149 20 20 PHE HE1 H 6.841 0.030 1 150 20 20 PHE HE2 H 6.841 0.030 1 151 20 20 PHE HZ H 6.346 0.030 1 152 20 20 PHE C C 175.608 0.300 1 153 20 20 PHE CA C 57.288 0.300 1 154 20 20 PHE CB C 43.643 0.300 1 155 20 20 PHE CD1 C 132.490 0.300 1 156 20 20 PHE CD2 C 132.490 0.300 1 157 20 20 PHE CE1 C 130.578 0.300 1 158 20 20 PHE CE2 C 130.578 0.300 1 159 20 20 PHE CZ C 128.705 0.300 1 160 20 20 PHE N N 117.426 0.300 1 161 21 21 GLY H H 9.144 0.030 1 162 21 21 GLY HA2 H 4.066 0.030 2 163 21 21 GLY HA3 H 4.380 0.030 2 164 21 21 GLY C C 173.415 0.300 1 165 21 21 GLY CA C 46.269 0.300 1 166 21 21 GLY N N 108.353 0.300 1 167 22 22 LEU H H 7.492 0.030 1 168 22 22 LEU HA H 4.888 0.030 1 169 22 22 LEU HB2 H 1.641 0.030 2 170 22 22 LEU HB3 H 1.490 0.030 2 171 22 22 LEU HD1 H 0.903 0.030 1 172 22 22 LEU HD2 H 1.006 0.030 1 173 22 22 LEU HG H 1.638 0.030 1 174 22 22 LEU C C 176.995 0.300 1 175 22 22 LEU CA C 53.043 0.300 1 176 22 22 LEU CB C 45.693 0.300 1 177 22 22 LEU CD1 C 25.386 0.300 2 178 22 22 LEU CD2 C 23.397 0.300 2 179 22 22 LEU CG C 26.903 0.300 1 180 22 22 LEU N N 117.179 0.300 1 181 23 23 LYS H H 8.346 0.030 1 182 23 23 LYS HA H 3.000 0.030 1 183 23 23 LYS HB2 H 1.461 0.030 2 184 23 23 LYS HB3 H 0.915 0.030 2 185 23 23 LYS HD2 H 1.596 0.030 2 186 23 23 LYS HD3 H 1.526 0.030 2 187 23 23 LYS HE2 H 2.914 0.030 2 188 23 23 LYS HE3 H 2.878 0.030 2 189 23 23 LYS HG2 H 1.034 0.030 2 190 23 23 LYS HG3 H 1.239 0.030 2 191 23 23 LYS C C 178.113 0.300 1 192 23 23 LYS CA C 59.056 0.300 1 193 23 23 LYS CB C 31.452 0.300 1 194 23 23 LYS CD C 29.076 0.300 1 195 23 23 LYS CE C 42.144 0.300 1 196 23 23 LYS CG C 24.813 0.300 1 197 23 23 LYS N N 127.252 0.300 1 198 24 24 SER H H 8.360 0.030 1 199 24 24 SER HA H 3.865 0.030 1 200 24 24 SER HB2 H 3.818 0.030 1 201 24 24 SER HB3 H 3.818 0.030 1 202 24 24 SER C C 176.854 0.300 1 203 24 24 SER CA C 60.651 0.300 1 204 24 24 SER CB C 61.315 0.300 1 205 24 24 SER N N 111.653 0.300 1 206 25 25 GLN H H 6.647 0.030 1 207 25 25 GLN HA H 3.895 0.030 1 208 25 25 GLN HB2 H 2.474 0.030 2 209 25 25 GLN HB3 H 1.975 0.030 2 210 25 25 GLN HE21 H 7.655 0.030 2 211 25 25 GLN HE22 H 7.006 0.030 2 212 25 25 GLN HG2 H 2.471 0.030 2 213 25 25 GLN HG3 H 2.388 0.030 2 214 25 25 GLN C C 178.428 0.300 1 215 25 25 GLN CA C 57.613 0.300 1 216 25 25 GLN CB C 28.573 0.300 1 217 25 25 GLN CG C 34.405 0.300 1 218 25 25 GLN N N 119.141 0.300 1 219 25 25 GLN NE2 N 111.750 0.300 1 220 26 26 LEU H H 6.992 0.030 1 221 26 26 LEU HA H 3.324 0.030 1 222 26 26 LEU HB2 H 2.023 0.030 2 223 26 26 LEU HB3 H 1.279 0.030 2 224 26 26 LEU HD1 H 1.002 0.030 1 225 26 26 LEU HD2 H 1.072 0.030 1 226 26 26 LEU HG H 1.618 0.030 1 227 26 26 LEU C C 177.103 0.300 1 228 26 26 LEU CA C 57.854 0.300 1 229 26 26 LEU CB C 40.350 0.300 1 230 26 26 LEU CD1 C 26.772 0.300 2 231 26 26 LEU CD2 C 22.718 0.300 2 232 26 26 LEU CG C 27.369 0.300 1 233 26 26 LEU N N 122.365 0.300 1 234 27 27 ILE H H 7.971 0.030 1 235 27 27 ILE HA H 3.725 0.030 1 236 27 27 ILE HB H 1.726 0.030 1 237 27 27 ILE HD1 H 0.745 0.030 1 238 27 27 ILE HG12 H 1.515 0.030 2 239 27 27 ILE HG13 H 1.177 0.030 2 240 27 27 ILE HG2 H 0.845 0.030 1 241 27 27 ILE C C 178.803 0.300 1 242 27 27 ILE CA C 64.616 0.300 1 243 27 27 ILE CB C 37.833 0.300 1 244 27 27 ILE CD1 C 13.004 0.300 1 245 27 27 ILE CG1 C 28.847 0.300 1 246 27 27 ILE CG2 C 17.078 0.300 1 247 27 27 ILE N N 118.447 0.300 1 248 28 28 ILE H H 7.047 0.030 1 249 28 28 ILE HA H 3.572 0.030 1 250 28 28 ILE HB H 1.653 0.030 1 251 28 28 ILE HD1 H 0.795 0.030 1 252 28 28 ILE HG12 H 1.618 0.030 2 253 28 28 ILE HG13 H 1.125 0.030 2 254 28 28 ILE HG2 H 0.870 0.030 1 255 28 28 ILE C C 178.591 0.300 1 256 28 28 ILE CA C 64.607 0.300 1 257 28 28 ILE CB C 38.385 0.300 1 258 28 28 ILE CD1 C 12.769 0.300 1 259 28 28 ILE CG1 C 29.292 0.300 1 260 28 28 ILE CG2 C 17.161 0.300 1 261 28 28 ILE N N 118.309 0.300 1 262 29 29 HIS H H 7.575 0.030 1 263 29 29 HIS HA H 4.116 0.030 1 264 29 29 HIS HB2 H 2.824 0.030 2 265 29 29 HIS HB3 H 3.162 0.030 2 266 29 29 HIS HD2 H 7.009 0.030 1 267 29 29 HIS HE1 H 8.020 0.030 1 268 29 29 HIS C C 176.399 0.300 1 269 29 29 HIS CA C 59.638 0.300 1 270 29 29 HIS CB C 28.686 0.300 1 271 29 29 HIS CD2 C 127.345 0.300 1 272 29 29 HIS CE1 C 139.424 0.300 1 273 29 29 HIS N N 120.367 0.300 1 274 30 30 GLU H H 8.691 0.030 1 275 30 30 GLU HA H 3.695 0.030 1 276 30 30 GLU HB2 H 2.241 0.030 2 277 30 30 GLU HB3 H 2.164 0.030 2 278 30 30 GLU HG2 H 2.642 0.030 2 279 30 30 GLU HG3 H 2.791 0.030 2 280 30 30 GLU C C 178.190 0.300 1 281 30 30 GLU CA C 60.106 0.300 1 282 30 30 GLU CB C 29.866 0.300 1 283 30 30 GLU CG C 37.912 0.300 1 284 30 30 GLU N N 116.137 0.300 1 285 31 31 ARG H H 7.138 0.030 1 286 31 31 ARG HA H 4.178 0.030 1 287 31 31 ARG HB2 H 1.902 0.030 2 288 31 31 ARG HB3 H 1.777 0.030 2 289 31 31 ARG HD2 H 3.182 0.030 2 290 31 31 ARG HD3 H 3.148 0.030 2 291 31 31 ARG HG2 H 1.914 0.030 2 292 31 31 ARG HG3 H 1.643 0.030 2 293 31 31 ARG C C 178.912 0.300 1 294 31 31 ARG CA C 58.400 0.300 1 295 31 31 ARG CB C 30.069 0.300 1 296 31 31 ARG CD C 43.798 0.300 1 297 31 31 ARG CG C 27.638 0.300 1 298 31 31 ARG N N 116.943 0.300 1 299 32 32 ILE H H 7.978 0.030 1 300 32 32 ILE HA H 3.935 0.030 1 301 32 32 ILE HB H 1.629 0.030 1 302 32 32 ILE HD1 H 0.702 0.030 1 303 32 32 ILE HG12 H 0.776 0.030 2 304 32 32 ILE HG13 H 0.906 0.030 2 305 32 32 ILE HG2 H 0.566 0.030 1 306 32 32 ILE C C 177.623 0.300 1 307 32 32 ILE CA C 63.351 0.300 1 308 32 32 ILE CB C 37.667 0.300 1 309 32 32 ILE CD1 C 14.411 0.300 1 310 32 32 ILE CG1 C 26.749 0.300 1 311 32 32 ILE CG2 C 16.321 0.300 1 312 32 32 ILE N N 117.036 0.300 1 313 33 33 HIS H H 7.209 0.030 1 314 33 33 HIS HA H 4.820 0.030 1 315 33 33 HIS HB2 H 3.353 0.030 2 316 33 33 HIS HB3 H 3.290 0.030 2 317 33 33 HIS HD2 H 6.808 0.030 1 318 33 33 HIS HE1 H 8.071 0.030 1 319 33 33 HIS C C 175.937 0.300 1 320 33 33 HIS CA C 55.352 0.300 1 321 33 33 HIS CB C 28.527 0.300 1 322 33 33 HIS CD2 C 127.948 0.300 1 323 33 33 HIS CE1 C 140.111 0.300 1 324 33 33 HIS N N 117.235 0.300 1 325 34 34 THR H H 7.749 0.030 1 326 34 34 THR HA H 4.369 0.030 1 327 34 34 THR HB H 4.343 0.030 1 328 34 34 THR HG2 H 1.253 0.030 1 329 34 34 THR C C 175.653 0.300 1 330 34 34 THR CA C 62.438 0.300 1 331 34 34 THR CB C 69.975 0.300 1 332 34 34 THR CG2 C 21.624 0.300 1 333 34 34 THR N N 110.763 0.300 1 334 35 35 GLY H H 8.174 0.030 1 335 35 35 GLY HA2 H 4.059 0.030 2 336 35 35 GLY HA3 H 3.950 0.030 2 337 35 35 GLY C C 174.334 0.300 1 338 35 35 GLY CA C 45.450 0.300 1 339 35 35 GLY N N 110.516 0.300 1 340 36 36 GLU H H 8.130 0.030 1 341 36 36 GLU HA H 4.311 0.030 1 342 36 36 GLU HB2 H 2.059 0.030 2 343 36 36 GLU HB3 H 1.914 0.030 2 344 36 36 GLU HG2 H 2.270 0.030 2 345 36 36 GLU HG3 H 2.236 0.030 2 346 36 36 GLU C C 176.510 0.300 1 347 36 36 GLU CA C 56.629 0.300 1 348 36 36 GLU CB C 30.535 0.300 1 349 36 36 GLU CG C 36.283 0.300 1 350 36 36 GLU N N 120.680 0.300 1 351 37 37 SER H H 8.391 0.030 1 352 37 37 SER HA H 4.481 0.030 1 353 37 37 SER HB2 H 3.859 0.030 1 354 37 37 SER HB3 H 3.859 0.030 1 355 37 37 SER C C 174.576 0.300 1 356 37 37 SER CA C 58.300 0.300 1 357 37 37 SER CB C 63.990 0.300 1 358 37 37 SER N N 116.733 0.300 1 359 38 38 GLY H H 8.240 0.030 1 360 38 38 GLY HA2 H 4.158 0.030 2 361 38 38 GLY HA3 H 4.064 0.030 2 362 38 38 GLY C C 171.698 0.300 1 363 38 38 GLY CA C 44.560 0.300 1 364 38 38 GLY N N 110.538 0.300 1 365 39 39 PRO HA H 4.474 0.030 1 366 39 39 PRO HB2 H 1.970 0.030 2 367 39 39 PRO HB3 H 2.290 0.030 2 368 39 39 PRO HD2 H 3.613 0.030 1 369 39 39 PRO HD3 H 3.613 0.030 1 370 39 39 PRO HG2 H 2.012 0.030 1 371 39 39 PRO HG3 H 2.012 0.030 1 372 39 39 PRO C C 177.358 0.300 1 373 39 39 PRO CA C 63.172 0.300 1 374 39 39 PRO CB C 32.197 0.300 1 375 39 39 PRO CD C 49.794 0.300 1 376 39 39 PRO CG C 27.144 0.300 1 377 40 40 SER H H 8.542 0.030 1 378 40 40 SER C C 174.651 0.300 1 379 40 40 SER CA C 58.452 0.300 1 380 40 40 SER CB C 63.972 0.300 1 381 40 40 SER N N 116.524 0.300 1 stop_ save_