data_10199 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 312-344) of human Zinc finger protein 347 ; _BMRB_accession_number 10199 _BMRB_flat_file_name bmr10199.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" 216 "13C chemical shifts" 147 "15N chemical shifts" 34 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 312-344) 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 domain' $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'zf-C2H2 domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKRYKCNECGK VFSRNSQLSQHQKIHTGEKP 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 ARG 13 TYR 14 LYS 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 VAL 22 PHE 23 SER 24 ARG 25 ASN 26 SER 27 GLN 28 LEU 29 SER 30 GLN 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 2EMA "Solution Structure Of The C2h2 Type Zinc Finger (Region 312- 344) Of Human Zinc Finger Protein 347" 100.00 46 100.00 100.00 1.08e-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 P070115-09 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . ZnCl2 0.05 mM . IDA 1 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 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 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'zf-C2H2 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 THR CA C 61.947 0.300 1 2 8 8 THR HA H 4.342 0.030 1 3 8 8 THR CB C 69.725 0.300 1 4 8 8 THR HB H 4.282 0.030 1 5 8 8 THR CG2 C 21.500 0.300 1 6 8 8 THR HG2 H 1.171 0.030 1 7 9 9 GLY N N 110.629 0.300 1 8 9 9 GLY H H 8.204 0.030 1 9 9 9 GLY CA C 45.276 0.300 1 10 9 9 GLY HA3 H 3.987 0.030 2 11 9 9 GLY HA2 H 3.937 0.030 2 12 10 10 GLU N N 120.559 0.300 1 13 10 10 GLU H H 8.088 0.030 1 14 10 10 GLU CA C 56.354 0.300 1 15 10 10 GLU HA H 4.215 0.030 1 16 10 10 GLU CB C 30.414 0.300 1 17 10 10 GLU HB3 H 1.893 0.030 1 18 10 10 GLU CG C 36.182 0.300 1 19 10 10 GLU C C 176.435 0.300 1 20 10 10 GLU HB2 H 1.893 0.030 1 21 10 10 GLU HG2 H 2.196 0.030 2 22 11 11 LYS N N 123.361 0.300 1 23 11 11 LYS H H 8.424 0.030 1 24 11 11 LYS CA C 56.048 0.300 1 25 11 11 LYS HA H 4.197 0.030 1 26 11 11 LYS CB C 32.695 0.300 1 27 11 11 LYS HB3 H 1.673 0.030 2 28 11 11 LYS CG C 24.888 0.300 1 29 11 11 LYS HG3 H 1.323 0.030 2 30 11 11 LYS CD C 29.014 0.300 1 31 11 11 LYS HD3 H 1.573 0.030 1 32 11 11 LYS CE C 41.977 0.300 1 33 11 11 LYS HE3 H 2.883 0.030 1 34 11 11 LYS C C 175.537 0.300 1 35 11 11 LYS HB2 H 1.542 0.030 2 36 11 11 LYS HD2 H 1.573 0.030 1 37 11 11 LYS HE2 H 2.883 0.030 1 38 11 11 LYS HG2 H 1.220 0.030 2 39 12 12 ARG N N 120.764 0.300 1 40 12 12 ARG H H 7.986 0.030 1 41 12 12 ARG CA C 55.218 0.300 1 42 12 12 ARG HA H 4.316 0.030 1 43 12 12 ARG CB C 32.110 0.300 1 44 12 12 ARG HB3 H 1.481 0.030 1 45 12 12 ARG CG C 26.955 0.300 1 46 12 12 ARG HG3 H 1.362 0.030 1 47 12 12 ARG CD C 43.350 0.300 1 48 12 12 ARG HD3 H 3.047 0.030 2 49 12 12 ARG C C 175.043 0.300 1 50 12 12 ARG HB2 H 1.481 0.030 1 51 12 12 ARG HD2 H 2.988 0.030 2 52 12 12 ARG HG2 H 1.362 0.030 1 53 13 13 TYR N N 121.086 0.300 1 54 13 13 TYR H H 8.420 0.030 1 55 13 13 TYR CA C 57.592 0.300 1 56 13 13 TYR HA H 4.559 0.030 1 57 13 13 TYR CB C 38.873 0.300 1 58 13 13 TYR HB3 H 2.721 0.030 2 59 13 13 TYR CD1 C 133.316 0.300 1 60 13 13 TYR HD1 H 6.927 0.030 1 61 13 13 TYR CD2 C 133.316 0.300 1 62 13 13 TYR HD2 H 6.927 0.030 1 63 13 13 TYR CE1 C 118.081 0.300 1 64 13 13 TYR HE1 H 6.778 0.030 1 65 13 13 TYR CE2 C 118.081 0.300 1 66 13 13 TYR HE2 H 6.778 0.030 1 67 13 13 TYR C C 173.957 0.300 1 68 13 13 TYR HB2 H 2.920 0.030 2 69 14 14 LYS N N 125.789 0.300 1 70 14 14 LYS H H 8.570 0.030 1 71 14 14 LYS CA C 54.913 0.300 1 72 14 14 LYS HA H 4.971 0.030 1 73 14 14 LYS CB C 35.797 0.300 1 74 14 14 LYS HB3 H 1.463 0.030 2 75 14 14 LYS CG C 24.401 0.300 1 76 14 14 LYS HG3 H 1.091 0.030 2 77 14 14 LYS CD C 29.603 0.300 1 78 14 14 LYS HD3 H 1.524 0.030 1 79 14 14 LYS CE C 41.949 0.300 1 80 14 14 LYS HE3 H 2.878 0.030 1 81 14 14 LYS C C 174.933 0.300 1 82 14 14 LYS HB2 H 1.713 0.030 2 83 14 14 LYS HD2 H 1.524 0.030 1 84 14 14 LYS HE2 H 2.878 0.030 1 85 14 14 LYS HG2 H 1.013 0.030 2 86 15 15 CYS N N 127.853 0.300 1 87 15 15 CYS H H 9.319 0.030 1 88 15 15 CYS CA C 59.341 0.300 1 89 15 15 CYS HA H 4.543 0.030 1 90 15 15 CYS CB C 29.426 0.300 1 91 15 15 CYS HB3 H 3.365 0.030 2 92 15 15 CYS C C 176.804 0.300 1 93 15 15 CYS HB2 H 2.811 0.030 2 94 16 16 ASN N N 115.775 0.300 1 95 16 16 ASN H H 9.413 0.030 1 96 16 16 ASN CA C 55.575 0.300 1 97 16 16 ASN HA H 4.489 0.030 1 98 16 16 ASN CB C 38.399 0.300 1 99 16 16 ASN HB3 H 2.848 0.030 1 100 16 16 ASN ND2 N 113.443 0.300 1 101 16 16 ASN HD21 H 7.672 0.030 2 102 16 16 ASN HD22 H 6.954 0.030 2 103 16 16 ASN C C 175.467 0.300 1 104 16 16 ASN HB2 H 2.848 0.030 1 105 17 17 GLU N N 120.746 0.300 1 106 17 17 GLU H H 8.638 0.030 1 107 17 17 GLU CA C 58.455 0.300 1 108 17 17 GLU HA H 4.176 0.030 1 109 17 17 GLU CB C 29.410 0.300 1 110 17 17 GLU HB3 H 1.335 0.030 2 111 17 17 GLU CG C 35.639 0.300 1 112 17 17 GLU HG3 H 1.741 0.030 2 113 17 17 GLU C C 177.060 0.300 1 114 17 17 GLU HB2 H 1.296 0.030 2 115 17 17 GLU HG2 H 1.855 0.030 2 116 18 18 CYS N N 129.116 0.300 1 117 18 18 CYS H H 7.901 0.030 1 118 18 18 CYS CA C 58.282 0.300 1 119 18 18 CYS HA H 5.150 0.030 1 120 18 18 CYS CB C 32.401 0.300 1 121 18 18 CYS HB3 H 2.842 0.030 2 122 18 18 CYS C C 176.219 0.300 1 123 18 18 CYS HB2 H 3.407 0.030 2 124 19 19 GLY N N 113.520 0.300 1 125 19 19 GLY H H 8.182 0.030 1 126 19 19 GLY CA C 46.219 0.300 1 127 19 19 GLY HA3 H 3.689 0.030 2 128 19 19 GLY C C 173.588 0.300 1 129 19 19 GLY HA2 H 4.213 0.030 2 130 20 20 LYS N N 122.589 0.300 1 131 20 20 LYS H H 7.851 0.030 1 132 20 20 LYS CA C 58.180 0.300 1 133 20 20 LYS HA H 3.939 0.030 1 134 20 20 LYS CB C 33.798 0.300 1 135 20 20 LYS HB3 H 1.148 0.030 2 136 20 20 LYS CG C 26.523 0.300 1 137 20 20 LYS HG3 H 1.434 0.030 2 138 20 20 LYS CD C 29.252 0.300 1 139 20 20 LYS HD3 H 1.443 0.030 1 140 20 20 LYS CE C 42.180 0.300 1 141 20 20 LYS HE3 H 2.905 0.030 1 142 20 20 LYS C C 174.180 0.300 1 143 20 20 LYS HB2 H 1.299 0.030 2 144 20 20 LYS HD2 H 1.443 0.030 1 145 20 20 LYS HE2 H 2.905 0.030 1 146 20 20 LYS HG2 H 1.070 0.030 2 147 21 21 VAL N N 117.610 0.300 1 148 21 21 VAL H H 7.594 0.030 1 149 21 21 VAL CA C 60.526 0.300 1 150 21 21 VAL HA H 4.679 0.030 1 151 21 21 VAL CB C 34.022 0.300 1 152 21 21 VAL HB H 1.695 0.030 1 153 21 21 VAL CG1 C 22.083 0.300 2 154 21 21 VAL HG1 H 0.752 0.030 1 155 21 21 VAL CG2 C 20.617 0.300 2 156 21 21 VAL HG2 H 0.766 0.030 1 157 21 21 VAL C C 174.872 0.300 1 158 22 22 PHE N N 121.976 0.300 1 159 22 22 PHE H H 8.775 0.030 1 160 22 22 PHE CA C 56.821 0.300 1 161 22 22 PHE HA H 4.800 0.030 1 162 22 22 PHE CB C 43.204 0.300 1 163 22 22 PHE HB3 H 3.526 0.030 2 164 22 22 PHE CD1 C 132.361 0.300 1 165 22 22 PHE HD1 H 7.163 0.030 1 166 22 22 PHE CD2 C 132.361 0.300 1 167 22 22 PHE HD2 H 7.163 0.030 1 168 22 22 PHE CE1 C 130.590 0.300 1 169 22 22 PHE HE1 H 6.808 0.030 1 170 22 22 PHE CE2 C 130.590 0.300 1 171 22 22 PHE HE2 H 6.808 0.030 1 172 22 22 PHE CZ C 128.739 0.300 1 173 22 22 PHE HZ H 6.183 0.030 1 174 22 22 PHE C C 175.430 0.300 1 175 22 22 PHE HB2 H 2.655 0.030 2 176 23 23 SER CA C 60.085 0.300 1 177 23 23 SER HA H 4.775 0.030 1 178 23 23 SER CB C 64.261 0.300 1 179 23 23 SER HB3 H 4.109 0.030 2 180 23 23 SER C C 174.312 0.300 1 181 23 23 SER HB2 H 4.014 0.030 2 182 24 24 ARG N N 116.908 0.300 1 183 24 24 ARG H H 7.615 0.030 1 184 24 24 ARG CA C 54.212 0.300 1 185 24 24 ARG HA H 4.694 0.030 1 186 24 24 ARG CB C 33.940 0.300 1 187 24 24 ARG HB3 H 1.470 0.030 2 188 24 24 ARG CG C 26.978 0.300 1 189 24 24 ARG HG3 H 1.617 0.030 1 190 24 24 ARG CD C 43.341 0.300 1 191 24 24 ARG HD3 H 3.217 0.030 2 192 24 24 ARG C C 176.291 0.300 1 193 24 24 ARG HB2 H 1.950 0.030 2 194 24 24 ARG HD2 H 3.132 0.030 2 195 24 24 ARG HG2 H 1.617 0.030 1 196 25 25 ASN CA C 56.082 0.300 1 197 25 25 ASN HA H 3.539 0.030 1 198 25 25 ASN CB C 38.067 0.300 1 199 25 25 ASN HB3 H 2.413 0.030 2 200 25 25 ASN ND2 N 112.708 0.300 1 201 25 25 ASN HD21 H 6.814 0.030 2 202 25 25 ASN HD22 H 7.331 0.030 2 203 25 25 ASN HB2 H 2.112 0.030 2 204 26 26 SER CA C 60.712 0.300 1 205 26 26 SER HA H 4.006 0.030 1 206 26 26 SER CB C 61.415 0.300 1 207 26 26 SER HB3 H 3.810 0.030 1 208 26 26 SER C C 176.943 0.300 1 209 26 26 SER HB2 H 3.810 0.030 1 210 27 27 GLN N N 120.570 0.300 1 211 27 27 GLN H H 6.621 0.030 1 212 27 27 GLN CA C 57.591 0.300 1 213 27 27 GLN HA H 3.978 0.030 1 214 27 27 GLN CB C 28.835 0.300 1 215 27 27 GLN HB3 H 1.987 0.030 2 216 27 27 GLN CG C 34.225 0.300 1 217 27 27 GLN HG3 H 2.455 0.030 2 218 27 27 GLN NE2 N 111.279 0.300 1 219 27 27 GLN HE21 H 7.592 0.030 2 220 27 27 GLN HE22 H 6.997 0.030 2 221 27 27 GLN C C 178.709 0.300 1 222 27 27 GLN HB2 H 2.381 0.030 2 223 27 27 GLN HG2 H 2.255 0.030 2 224 28 28 LEU N N 121.828 0.300 1 225 28 28 LEU H H 6.936 0.030 1 226 28 28 LEU CA C 57.924 0.300 1 227 28 28 LEU HA H 3.285 0.030 1 228 28 28 LEU CB C 40.174 0.300 1 229 28 28 LEU HB3 H 1.213 0.030 2 230 28 28 LEU CG C 27.473 0.300 1 231 28 28 LEU HG H 1.504 0.030 1 232 28 28 LEU CD1 C 26.378 0.300 2 233 28 28 LEU HD1 H 1.019 0.030 1 234 28 28 LEU CD2 C 22.806 0.300 2 235 28 28 LEU HD2 H 1.013 0.030 1 236 28 28 LEU C C 177.664 0.300 1 237 28 28 LEU HB2 H 2.011 0.030 2 238 29 29 SER N N 114.464 0.300 1 239 29 29 SER H H 8.367 0.030 1 240 29 29 SER CA C 61.619 0.300 1 241 29 29 SER HA H 4.166 0.030 1 242 29 29 SER CB C 62.410 0.300 1 243 29 29 SER HB3 H 3.793 0.030 1 244 29 29 SER C C 177.169 0.300 1 245 29 29 SER HB2 H 3.793 0.030 1 246 30 30 GLN N N 119.104 0.300 1 247 30 30 GLN H H 7.378 0.030 1 248 30 30 GLN CA C 58.502 0.300 1 249 30 30 GLN HA H 3.949 0.030 1 250 30 30 GLN CB C 28.439 0.300 1 251 30 30 GLN HB3 H 2.011 0.030 2 252 30 30 GLN CG C 33.408 0.300 1 253 30 30 GLN HG3 H 2.376 0.030 1 254 30 30 GLN NE2 N 112.362 0.300 1 255 30 30 GLN HE21 H 7.425 0.030 2 256 30 30 GLN HE22 H 6.876 0.030 2 257 30 30 GLN C C 178.325 0.300 1 258 30 30 GLN HB2 H 1.957 0.030 2 259 30 30 GLN HG2 H 2.376 0.030 1 260 31 31 HIS N N 119.372 0.300 1 261 31 31 HIS H H 7.619 0.030 1 262 31 31 HIS CA C 59.042 0.300 1 263 31 31 HIS HA H 4.149 0.030 1 264 31 31 HIS CB C 28.503 0.300 1 265 31 31 HIS HB3 H 2.814 0.030 2 266 31 31 HIS CD2 C 127.101 0.300 1 267 31 31 HIS HD2 H 6.931 0.030 1 268 31 31 HIS CE1 C 139.674 0.300 1 269 31 31 HIS HE1 H 8.026 0.030 1 270 31 31 HIS C C 176.154 0.300 1 271 31 31 HIS HB2 H 3.083 0.030 2 272 32 32 GLN N N 114.990 0.300 1 273 32 32 GLN H H 8.319 0.030 1 274 32 32 GLN CA C 59.299 0.300 1 275 32 32 GLN HA H 3.653 0.030 1 276 32 32 GLN CB C 28.260 0.300 1 277 32 32 GLN HB3 H 2.181 0.030 2 278 32 32 GLN CG C 35.298 0.300 1 279 32 32 GLN HG3 H 2.771 0.030 1 280 32 32 GLN NE2 N 112.534 0.300 1 281 32 32 GLN HE21 H 7.031 0.030 2 282 32 32 GLN HE22 H 7.567 0.030 2 283 32 32 GLN C C 177.281 0.300 1 284 32 32 GLN HB2 H 2.259 0.030 2 285 32 32 GLN HG2 H 2.771 0.030 1 286 33 33 LYS N N 117.343 0.300 1 287 33 33 LYS H H 7.039 0.030 1 288 33 33 LYS CA C 58.503 0.300 1 289 33 33 LYS HA H 4.067 0.030 1 290 33 33 LYS CB C 32.207 0.300 1 291 33 33 LYS HB3 H 1.731 0.030 2 292 33 33 LYS CG C 25.276 0.300 1 293 33 33 LYS HG3 H 1.577 0.030 2 294 33 33 LYS CD C 29.059 0.300 1 295 33 33 LYS HD3 H 1.622 0.030 1 296 33 33 LYS CE C 42.154 0.300 1 297 33 33 LYS HE3 H 2.904 0.030 1 298 33 33 LYS C C 178.726 0.300 1 299 33 33 LYS HB2 H 1.808 0.030 2 300 33 33 LYS HD2 H 1.622 0.030 1 301 33 33 LYS HE2 H 2.904 0.030 1 302 33 33 LYS HG2 H 1.408 0.030 2 303 34 34 ILE N N 116.207 0.300 1 304 34 34 ILE H H 7.787 0.030 1 305 34 34 ILE CA C 62.920 0.300 1 306 34 34 ILE HA H 3.951 0.030 1 307 34 34 ILE CB C 37.707 0.300 1 308 34 34 ILE HB H 1.642 0.030 1 309 34 34 ILE CG1 C 26.708 0.300 1 310 34 34 ILE HG13 H 0.740 0.030 2 311 34 34 ILE CG2 C 16.475 0.300 1 312 34 34 ILE HG2 H 0.530 0.030 1 313 34 34 ILE CD1 C 14.315 0.300 1 314 34 34 ILE HD1 H 0.673 0.030 1 315 34 34 ILE C C 177.373 0.300 1 316 34 34 ILE HG12 H 0.909 0.030 2 317 35 35 HIS N N 117.836 0.300 1 318 35 35 HIS H H 7.199 0.030 1 319 35 35 HIS CA C 55.161 0.300 1 320 35 35 HIS HA H 4.846 0.030 1 321 35 35 HIS CB C 28.503 0.300 1 322 35 35 HIS HB3 H 3.204 0.030 2 323 35 35 HIS CD2 C 127.606 0.300 1 324 35 35 HIS HD2 H 6.738 0.030 1 325 35 35 HIS CE1 C 139.995 0.300 1 326 35 35 HIS HE1 H 8.038 0.030 1 327 35 35 HIS C C 175.779 0.300 1 328 35 35 HIS HB2 H 3.317 0.030 2 329 36 36 THR N N 111.873 0.300 1 330 36 36 THR H H 7.764 0.030 1 331 36 36 THR CA C 62.503 0.300 1 332 36 36 THR HA H 4.321 0.030 1 333 36 36 THR CB C 69.764 0.300 1 334 36 36 THR HB H 4.297 0.030 1 335 36 36 THR CG2 C 21.595 0.300 1 336 36 36 THR HG2 H 1.205 0.030 1 337 36 36 THR C C 175.480 0.300 1 338 37 37 GLY CA C 45.290 0.300 1 339 37 37 GLY HA2 H 3.948 0.030 2 340 38 38 GLU N N 120.760 0.300 1 341 38 38 GLU H H 8.217 0.030 1 342 38 38 GLU CA C 56.439 0.300 1 343 38 38 GLU HA H 4.217 0.030 1 344 38 38 GLU CB C 30.508 0.300 1 345 38 38 GLU HB3 H 1.873 0.030 2 346 38 38 GLU CG C 36.256 0.300 1 347 38 38 GLU HG3 H 2.234 0.030 2 348 38 38 GLU C C 176.214 0.300 1 349 38 38 GLU HB2 H 1.968 0.030 2 350 38 38 GLU HG2 H 2.180 0.030 2 351 39 39 LYS N N 123.748 0.300 1 352 39 39 LYS H H 8.367 0.030 1 353 39 39 LYS CA C 54.060 0.300 1 354 39 39 LYS HA H 4.579 0.030 1 355 39 39 LYS CB C 32.498 0.300 1 356 39 39 LYS HB3 H 1.689 0.030 2 357 39 39 LYS CG C 24.466 0.300 1 358 39 39 LYS HG3 H 1.436 0.030 1 359 39 39 LYS CD C 29.098 0.300 1 360 39 39 LYS HD3 H 1.650 0.030 1 361 39 39 LYS CE C 42.175 0.300 1 362 39 39 LYS HE3 H 2.964 0.030 1 363 39 39 LYS C C 174.434 0.300 1 364 39 39 LYS HB2 H 1.783 0.030 2 365 39 39 LYS HD2 H 1.650 0.030 1 366 39 39 LYS HE2 H 2.964 0.030 1 367 39 39 LYS HG2 H 1.436 0.030 1 368 40 40 PRO CA C 63.176 0.300 1 369 40 40 PRO HA H 4.425 0.030 1 370 40 40 PRO CB C 32.185 0.300 1 371 40 40 PRO HB3 H 1.911 0.030 2 372 40 40 PRO CG C 27.370 0.300 1 373 40 40 PRO HG3 H 1.987 0.030 1 374 40 40 PRO CD C 50.696 0.300 1 375 40 40 PRO HD3 H 3.610 0.030 2 376 40 40 PRO HB2 H 2.274 0.030 2 377 40 40 PRO HD2 H 3.794 0.030 2 378 40 40 PRO HG2 H 1.987 0.030 1 379 41 41 SER N N 116.530 0.300 1 380 41 41 SER H H 8.478 0.030 1 381 43 43 PRO CA C 63.216 0.300 1 382 43 43 PRO HA H 4.443 0.030 1 383 43 43 PRO CB C 32.152 0.300 1 384 43 43 PRO HB3 H 1.910 0.030 2 385 43 43 PRO CG C 27.143 0.300 1 386 43 43 PRO HG3 H 1.984 0.030 1 387 43 43 PRO CD C 49.756 0.300 1 388 43 43 PRO HD3 H 3.596 0.030 1 389 43 43 PRO HB2 H 2.288 0.030 2 390 43 43 PRO HD2 H 3.596 0.030 1 391 43 43 PRO HG2 H 1.984 0.030 1 392 45 45 SER CA C 58.350 0.300 1 393 45 45 SER HA H 4.462 0.030 1 394 45 45 SER CB C 63.976 0.300 1 395 45 45 SER HB2 H 3.837 0.030 2 396 46 46 GLY N N 116.841 0.300 1 397 46 46 GLY H H 8.031 0.030 1 stop_ save_