data_10207 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 368-400) of human Zinc finger protein 347 ; _BMRB_accession_number 10207 _BMRB_flat_file_name bmr10207.str _Entry_type original _Submission_date 2008-03-18 _Accession_date 2008-03-18 _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" 205 "13C chemical shifts" 146 "15N chemical shifts" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-18 original author . stop_ _Original_release_date 2009-03-18 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 368-400) of human Zinc finger protein 347 ; _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 347' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2, UNP residues 368-400' $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 368-400' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYKCNECGK AFRARSSLAIHQATHSGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 GLY 10 GLU 11 LYS 12 PRO 13 TYR 14 LYS 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 ARG 24 ALA 25 ARG 26 SER 27 SER 28 LEU 29 ALA 30 ILE 31 HIS 32 GLN 33 ALA 34 THR 35 HIS 36 SER 37 GLY 38 GLU 39 LYS 40 PRO 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2EOW "Solution Structure Of The C2h2 Type Zinc Finger (Region 368- 400) Of Human Zinc Finger Protein 347" 100.00 46 100.00 100.00 1.88e-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 P070115-11 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 '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 900 _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, UNP residues 368-400' _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 61.936 0.300 1 2 8 8 THR HA H 4.334 0.030 1 3 8 8 THR CB C 69.790 0.300 1 4 8 8 THR HB H 4.266 0.030 1 5 8 8 THR CG2 C 21.516 0.300 1 6 8 8 THR HG2 H 1.172 0.030 1 7 9 9 GLY CA C 45.303 0.300 1 8 9 9 GLY HA2 H 3.975 0.030 1 9 9 9 GLY HA3 H 3.975 0.030 1 10 9 9 GLY C C 174.030 0.300 1 11 10 10 GLU N N 120.522 0.300 1 12 10 10 GLU H H 8.138 0.030 1 13 10 10 GLU CA C 56.348 0.300 1 14 10 10 GLU HA H 4.254 0.030 1 15 10 10 GLU CB C 30.590 0.300 1 16 10 10 GLU HB2 H 1.996 0.030 2 17 10 10 GLU HB3 H 1.915 0.030 2 18 10 10 GLU CG C 36.256 0.300 1 19 10 10 GLU HG2 H 2.234 0.030 2 20 10 10 GLU HG3 H 2.193 0.030 2 21 10 10 GLU C C 176.309 0.300 1 22 11 11 LYS N N 123.786 0.300 1 23 11 11 LYS H H 8.422 0.030 1 24 11 11 LYS CA C 54.092 0.300 1 25 11 11 LYS HA H 4.614 0.030 1 26 11 11 LYS CB C 32.512 0.300 1 27 11 11 LYS HB2 H 1.804 0.030 2 28 11 11 LYS HB3 H 1.721 0.030 2 29 11 11 LYS CG C 24.463 0.300 1 30 11 11 LYS HG2 H 1.453 0.030 1 31 11 11 LYS HG3 H 1.453 0.030 1 32 11 11 LYS CD C 29.203 0.300 1 33 11 11 LYS HD2 H 1.671 0.030 1 34 11 11 LYS HD3 H 1.671 0.030 1 35 11 11 LYS CE C 42.069 0.300 1 36 11 11 LYS HE2 H 2.926 0.030 1 37 11 11 LYS HE3 H 2.926 0.030 1 38 11 11 LYS C C 174.485 0.300 1 39 12 12 PRO CA C 63.537 0.300 1 40 12 12 PRO HA H 4.222 0.030 1 41 12 12 PRO CB C 32.294 0.300 1 42 12 12 PRO HB2 H 1.115 0.030 2 43 12 12 PRO HB3 H 1.973 0.030 2 44 12 12 PRO CG C 26.465 0.300 1 45 12 12 PRO HG2 H 1.734 0.030 2 46 12 12 PRO HG3 H 1.442 0.030 2 47 12 12 PRO CD C 50.288 0.300 1 48 12 12 PRO HD2 H 3.604 0.030 1 49 12 12 PRO HD3 H 3.604 0.030 1 50 12 12 PRO C C 176.522 0.300 1 51 13 13 TYR N N 118.425 0.300 1 52 13 13 TYR H H 7.747 0.030 1 53 13 13 TYR CA C 57.492 0.300 1 54 13 13 TYR HA H 4.643 0.030 1 55 13 13 TYR CB C 38.298 0.300 1 56 13 13 TYR HB2 H 2.737 0.030 2 57 13 13 TYR HB3 H 2.955 0.030 2 58 13 13 TYR CD1 C 132.938 0.300 1 59 13 13 TYR HD1 H 6.961 0.030 1 60 13 13 TYR CD2 C 132.938 0.300 1 61 13 13 TYR HD2 H 6.961 0.030 1 62 13 13 TYR CE1 C 118.318 0.300 1 63 13 13 TYR HE1 H 6.872 0.030 1 64 13 13 TYR CE2 C 118.318 0.300 1 65 13 13 TYR HE2 H 6.872 0.030 1 66 13 13 TYR C C 174.436 0.300 1 67 14 14 LYS N N 125.064 0.300 1 68 14 14 LYS H H 8.580 0.030 1 69 14 14 LYS CA C 55.150 0.300 1 70 14 14 LYS HA H 4.934 0.030 1 71 14 14 LYS CB C 35.364 0.300 1 72 14 14 LYS HB2 H 1.644 0.030 2 73 14 14 LYS HB3 H 1.608 0.030 2 74 14 14 LYS CG C 24.973 0.300 1 75 14 14 LYS HG2 H 1.193 0.030 1 76 14 14 LYS HG3 H 1.193 0.030 1 77 14 14 LYS CD C 29.439 0.300 1 78 14 14 LYS HD2 H 1.589 0.030 1 79 14 14 LYS HD3 H 1.589 0.030 1 80 14 14 LYS CE C 42.078 0.300 1 81 14 14 LYS HE2 H 2.926 0.030 1 82 14 14 LYS HE3 H 2.926 0.030 1 83 14 14 LYS C C 175.164 0.300 1 84 15 15 CYS N N 126.356 0.300 1 85 15 15 CYS H H 9.216 0.030 1 86 15 15 CYS CA C 59.505 0.300 1 87 15 15 CYS HA H 4.499 0.030 1 88 15 15 CYS CB C 29.802 0.300 1 89 15 15 CYS HB2 H 2.864 0.030 2 90 15 15 CYS HB3 H 3.430 0.030 2 91 15 15 CYS C C 177.060 0.300 1 92 16 16 ASN N N 130.128 0.300 1 93 16 16 ASN H H 9.375 0.030 1 94 16 16 ASN CA C 55.567 0.300 1 95 16 16 ASN HA H 4.526 0.030 1 96 16 16 ASN CB C 38.377 0.300 1 97 16 16 ASN HB2 H 2.883 0.030 1 98 16 16 ASN HB3 H 2.883 0.030 1 99 16 16 ASN ND2 N 113.320 0.300 1 100 16 16 ASN HD21 H 7.694 0.030 2 101 16 16 ASN HD22 H 6.976 0.030 2 102 16 16 ASN C C 175.395 0.300 1 103 17 17 GLU N N 121.112 0.300 1 104 17 17 GLU H H 8.801 0.030 1 105 17 17 GLU CA C 58.384 0.300 1 106 17 17 GLU HA H 4.227 0.030 1 107 17 17 GLU CB C 29.679 0.300 1 108 17 17 GLU HB2 H 1.452 0.030 2 109 17 17 GLU HB3 H 1.420 0.030 2 110 17 17 GLU CG C 35.713 0.300 1 111 17 17 GLU HG2 H 1.903 0.030 2 112 17 17 GLU HG3 H 1.766 0.030 2 113 17 17 GLU C C 177.104 0.300 1 114 18 18 CYS N N 114.836 0.300 1 115 18 18 CYS H H 7.953 0.030 1 116 18 18 CYS CA C 58.341 0.300 1 117 18 18 CYS HA H 5.156 0.030 1 118 18 18 CYS CB C 32.523 0.300 1 119 18 18 CYS HB2 H 2.840 0.030 2 120 18 18 CYS HB3 H 3.412 0.030 2 121 18 18 CYS C C 176.223 0.300 1 122 19 19 GLY N N 113.235 0.300 1 123 19 19 GLY H H 8.138 0.030 1 124 19 19 GLY CA C 46.304 0.300 1 125 19 19 GLY HA2 H 3.785 0.030 2 126 19 19 GLY HA3 H 4.241 0.030 2 127 19 19 GLY C C 173.712 0.300 1 128 20 20 LYS N N 123.349 0.300 1 129 20 20 LYS H H 8.040 0.030 1 130 20 20 LYS CA C 58.424 0.300 1 131 20 20 LYS HA H 3.919 0.030 1 132 20 20 LYS CB C 33.699 0.300 1 133 20 20 LYS HB2 H 1.402 0.030 2 134 20 20 LYS HB3 H 1.198 0.030 2 135 20 20 LYS CG C 26.326 0.300 1 136 20 20 LYS HG2 H 1.402 0.030 2 137 20 20 LYS HG3 H 1.054 0.030 2 138 20 20 LYS CD C 29.476 0.300 1 139 20 20 LYS HD2 H 1.401 0.030 1 140 20 20 LYS HD3 H 1.401 0.030 1 141 20 20 LYS CE C 42.223 0.300 1 142 20 20 LYS HE2 H 2.941 0.030 2 143 20 20 LYS HE3 H 2.878 0.030 2 144 20 20 LYS C C 173.678 0.300 1 145 21 21 ALA N N 124.050 0.300 1 146 21 21 ALA H H 7.783 0.030 1 147 21 21 ALA CA C 50.427 0.300 1 148 21 21 ALA HA H 5.135 0.030 1 149 21 21 ALA CB C 22.453 0.300 1 150 21 21 ALA HB H 1.186 0.030 1 151 21 21 ALA C C 176.113 0.300 1 152 22 22 PHE N N 116.580 0.300 1 153 22 22 PHE H H 8.754 0.030 1 154 22 22 PHE CA C 57.200 0.300 1 155 22 22 PHE HA H 4.695 0.030 1 156 22 22 PHE CB C 44.007 0.300 1 157 22 22 PHE HB2 H 2.680 0.030 2 158 22 22 PHE HB3 H 3.392 0.030 2 159 22 22 PHE CD1 C 132.242 0.300 1 160 22 22 PHE HD1 H 7.248 0.030 1 161 22 22 PHE CD2 C 132.242 0.300 1 162 22 22 PHE HD2 H 7.248 0.030 1 163 22 22 PHE CE1 C 130.575 0.300 1 164 22 22 PHE HE1 H 6.835 0.030 1 165 22 22 PHE CE2 C 130.575 0.300 1 166 22 22 PHE HE2 H 6.835 0.030 1 167 22 22 PHE CZ C 128.769 0.300 1 168 22 22 PHE HZ H 6.273 0.030 1 169 22 22 PHE C C 175.166 0.300 1 170 23 23 ARG N N 120.122 0.300 1 171 23 23 ARG H H 9.062 0.030 1 172 23 23 ARG CA C 57.935 0.300 1 173 23 23 ARG HA H 4.503 0.030 1 174 23 23 ARG CB C 31.133 0.300 1 175 23 23 ARG HB2 H 2.054 0.030 2 176 23 23 ARG HB3 H 1.971 0.030 2 177 23 23 ARG CG C 28.098 0.300 1 178 23 23 ARG HG2 H 1.826 0.030 1 179 23 23 ARG HG3 H 1.826 0.030 1 180 23 23 ARG CD C 43.443 0.300 1 181 23 23 ARG HD2 H 3.288 0.030 1 182 23 23 ARG HD3 H 3.288 0.030 1 183 23 23 ARG C C 175.314 0.300 1 184 24 24 ALA N N 118.433 0.300 1 185 24 24 ALA H H 7.636 0.030 1 186 24 24 ALA CA C 50.400 0.300 1 187 24 24 ALA HA H 4.860 0.030 1 188 24 24 ALA CB C 21.958 0.300 1 189 24 24 ALA HB H 1.482 0.030 1 190 24 24 ALA C C 176.866 0.300 1 191 25 25 ARG N N 124.787 0.300 1 192 25 25 ARG H H 8.490 0.030 1 193 25 25 ARG CA C 59.298 0.300 1 194 25 25 ARG HA H 3.125 0.030 1 195 25 25 ARG CB C 29.270 0.300 1 196 25 25 ARG HB2 H 1.479 0.030 2 197 25 25 ARG HB3 H 1.237 0.030 2 198 25 25 ARG CG C 27.369 0.300 1 199 25 25 ARG HG2 H 1.171 0.030 1 200 25 25 ARG HG3 H 1.171 0.030 1 201 25 25 ARG CD C 43.074 0.300 1 202 25 25 ARG HD2 H 3.030 0.030 1 203 25 25 ARG HD3 H 3.030 0.030 1 204 25 25 ARG C C 178.954 0.300 1 205 26 26 SER CA C 60.587 0.300 1 206 26 26 SER HA H 4.057 0.030 1 207 26 26 SER CB C 61.336 0.300 1 208 26 26 SER HB2 H 3.846 0.030 1 209 26 26 SER HB3 H 3.846 0.030 1 210 26 26 SER C C 177.007 0.300 1 211 27 27 SER N N 117.278 0.300 1 212 27 27 SER H H 6.825 0.030 1 213 27 27 SER CA C 60.701 0.300 1 214 27 27 SER HA H 4.167 0.030 1 215 27 27 SER CB C 62.349 0.300 1 216 27 27 SER HB2 H 4.009 0.030 2 217 27 27 SER HB3 H 3.966 0.030 2 218 27 27 SER C C 176.462 0.300 1 219 28 28 LEU N N 123.661 0.300 1 220 28 28 LEU H H 7.171 0.030 1 221 28 28 LEU CA C 57.758 0.300 1 222 28 28 LEU HA H 3.179 0.030 1 223 28 28 LEU CB C 40.196 0.300 1 224 28 28 LEU HB2 H 1.237 0.030 2 225 28 28 LEU HB3 H 1.906 0.030 2 226 28 28 LEU CG C 27.403 0.300 1 227 28 28 LEU HG H 1.474 0.030 1 228 28 28 LEU CD1 C 22.859 0.300 2 229 28 28 LEU HD1 H 0.979 0.030 1 230 28 28 LEU CD2 C 26.579 0.300 2 231 28 28 LEU HD2 H 0.950 0.030 1 232 28 28 LEU C C 177.102 0.300 1 233 29 29 ALA N N 121.695 0.300 1 234 29 29 ALA H H 7.996 0.030 1 235 29 29 ALA CA C 55.373 0.300 1 236 29 29 ALA HA H 4.175 0.030 1 237 29 29 ALA CB C 17.751 0.300 1 238 29 29 ALA HB H 1.410 0.030 1 239 29 29 ALA C C 181.065 0.300 1 240 30 30 ILE N N 118.797 0.300 1 241 30 30 ILE H H 7.480 0.030 1 242 30 30 ILE CA C 64.334 0.300 1 243 30 30 ILE HA H 3.698 0.030 1 244 30 30 ILE CB C 38.471 0.300 1 245 30 30 ILE HB H 1.710 0.030 1 246 30 30 ILE CG1 C 29.005 0.300 1 247 30 30 ILE HG12 H 1.152 0.030 2 248 30 30 ILE HG13 H 1.650 0.030 2 249 30 30 ILE CG2 C 17.180 0.300 1 250 30 30 ILE HG2 H 0.882 0.030 1 251 30 30 ILE CD1 C 12.850 0.300 1 252 30 30 ILE HD1 H 0.796 0.030 1 253 30 30 ILE C C 178.562 0.300 1 254 31 31 HIS N N 118.999 0.300 1 255 31 31 HIS H H 7.443 0.030 1 256 31 31 HIS CA C 59.207 0.300 1 257 31 31 HIS HA H 4.235 0.030 1 258 31 31 HIS CB C 28.607 0.300 1 259 31 31 HIS HB2 H 3.014 0.030 2 260 31 31 HIS HB3 H 2.872 0.030 2 261 31 31 HIS CD2 C 127.174 0.300 1 262 31 31 HIS HD2 H 6.884 0.030 1 263 31 31 HIS CE1 C 139.611 0.300 1 264 31 31 HIS HE1 H 7.978 0.030 1 265 31 31 HIS C C 178.221 0.300 1 266 32 32 GLN N N 120.561 0.300 1 267 32 32 GLN H H 9.107 0.030 1 268 32 32 GLN CA C 59.849 0.300 1 269 32 32 GLN HA H 3.717 0.030 1 270 32 32 GLN CB C 28.269 0.300 1 271 32 32 GLN HB2 H 2.299 0.030 2 272 32 32 GLN HB3 H 2.152 0.030 2 273 32 32 GLN CG C 35.495 0.300 1 274 32 32 GLN HG2 H 2.755 0.030 1 275 32 32 GLN HG3 H 2.755 0.030 1 276 32 32 GLN NE2 N 112.756 0.300 1 277 32 32 GLN HE21 H 7.661 0.030 2 278 32 32 GLN HE22 H 7.009 0.030 2 279 32 32 GLN C C 177.933 0.300 1 280 33 33 ALA N N 120.580 0.300 1 281 33 33 ALA H H 7.225 0.030 1 282 33 33 ALA CA C 54.275 0.300 1 283 33 33 ALA HA H 4.223 0.030 1 284 33 33 ALA CB C 18.072 0.300 1 285 33 33 ALA HB H 1.469 0.030 1 286 33 33 ALA C C 179.277 0.300 1 287 34 34 THR N N 108.871 0.300 1 288 34 34 THR H H 7.690 0.030 1 289 34 34 THR CA C 63.808 0.300 1 290 34 34 THR HA H 4.152 0.030 1 291 34 34 THR CB C 69.413 0.300 1 292 34 34 THR HB H 4.052 0.030 1 293 34 34 THR CG2 C 20.973 0.300 1 294 34 34 THR HG2 H 1.182 0.030 1 295 34 34 THR C C 175.831 0.300 1 296 35 35 HIS N N 118.845 0.300 1 297 35 35 HIS H H 7.183 0.030 1 298 35 35 HIS CA C 55.596 0.300 1 299 35 35 HIS HA H 4.800 0.030 1 300 35 35 HIS CB C 28.675 0.300 1 301 35 35 HIS HB2 H 3.301 0.030 2 302 35 35 HIS HB3 H 3.159 0.030 2 303 35 35 HIS CD2 C 127.098 0.300 1 304 35 35 HIS HD2 H 6.673 0.030 1 305 35 35 HIS CE1 C 139.713 0.300 1 306 35 35 HIS HE1 H 7.996 0.030 1 307 35 35 HIS C C 175.495 0.300 1 308 36 36 SER N N 115.119 0.300 1 309 36 36 SER H H 7.871 0.030 1 310 36 36 SER CA C 58.965 0.300 1 311 36 36 SER HA H 4.444 0.030 1 312 36 36 SER CB C 63.882 0.300 1 313 36 36 SER HB2 H 3.894 0.030 1 314 36 36 SER HB3 H 3.894 0.030 1 315 36 36 SER C C 175.070 0.300 1 316 37 37 GLY N N 110.906 0.300 1 317 37 37 GLY H H 8.364 0.030 1 318 37 37 GLY CA C 45.222 0.300 1 319 37 37 GLY HA2 H 3.977 0.030 2 320 37 37 GLY HA3 H 3.901 0.030 2 321 37 37 GLY C C 174.068 0.300 1 322 38 38 GLU N N 120.200 0.300 1 323 38 38 GLU H H 8.198 0.030 1 324 38 38 GLU CA C 56.989 0.300 1 325 38 38 GLU HA H 4.140 0.030 1 326 38 38 GLU CB C 30.446 0.300 1 327 38 38 GLU HB2 H 1.960 0.030 2 328 38 38 GLU HB3 H 1.896 0.030 2 329 38 38 GLU CG C 36.275 0.300 1 330 38 38 GLU HG2 H 2.233 0.030 2 331 38 38 GLU HG3 H 2.190 0.030 2 332 38 38 GLU C C 176.270 0.300 1 333 39 39 LYS N N 120.907 0.300 1 334 39 39 LYS H H 8.233 0.030 1 335 39 39 LYS CA C 53.740 0.300 1 336 39 39 LYS HA H 4.464 0.030 1 337 39 39 LYS CB C 33.224 0.300 1 338 39 39 LYS HB2 H 1.537 0.030 2 339 39 39 LYS HB3 H 1.312 0.030 2 340 39 39 LYS CG C 25.140 0.300 1 341 39 39 LYS HG2 H 1.297 0.030 2 342 39 39 LYS HG3 H 1.053 0.030 2 343 39 39 LYS CD C 29.541 0.300 1 344 39 39 LYS HD2 H 1.465 0.030 1 345 39 39 LYS HD3 H 1.465 0.030 1 346 39 39 LYS CE C 42.185 0.300 1 347 39 39 LYS HE2 H 2.876 0.030 1 348 39 39 LYS HE3 H 2.876 0.030 1 349 39 39 LYS C C 173.830 0.300 1 350 40 40 PRO CA C 63.189 0.300 1 351 40 40 PRO HA H 4.462 0.030 1 352 40 40 PRO CB C 32.177 0.300 1 353 40 40 PRO HB2 H 1.921 0.030 2 354 40 40 PRO HB3 H 2.300 0.030 2 355 40 40 PRO CG C 27.286 0.300 1 356 40 40 PRO HG2 H 1.996 0.030 1 357 40 40 PRO HG3 H 1.996 0.030 1 358 40 40 PRO CD C 49.826 0.300 1 359 40 40 PRO HD2 H 3.608 0.030 1 360 40 40 PRO HD3 H 3.608 0.030 1 361 41 41 SER N N 116.632 0.300 1 362 41 41 SER H H 8.507 0.030 1 363 41 41 SER CA C 58.580 0.300 1 364 41 41 SER HA H 4.502 0.030 1 365 41 41 SER CB C 63.908 0.300 1 366 41 41 SER HB2 H 3.894 0.030 1 367 41 41 SER HB3 H 3.894 0.030 1 368 42 42 GLY N N 110.670 0.300 1 369 42 42 GLY H H 8.222 0.030 1 370 42 42 GLY CA C 44.675 0.300 1 371 42 42 GLY HA2 H 4.151 0.030 2 372 42 42 GLY HA3 H 4.079 0.030 2 373 43 43 PRO CA C 63.074 0.300 1 374 43 43 PRO HA H 4.462 0.030 1 375 43 43 PRO CB C 32.165 0.300 1 376 43 43 PRO HB2 H 2.300 0.030 2 377 43 43 PRO HB3 H 1.921 0.030 2 378 43 43 PRO CG C 27.441 0.300 1 379 43 43 PRO HG2 H 2.008 0.030 1 380 43 43 PRO HG3 H 2.008 0.030 1 381 43 43 PRO CD C 50.685 0.300 1 382 43 43 PRO HD2 H 3.629 0.030 2 383 43 43 PRO HD3 H 3.819 0.030 2 stop_ save_