data_10196 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 768-800) of human Zinc finger protein 95 homolog ; _BMRB_accession_number 10196 _BMRB_flat_file_name bmr10196.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" 197 "13C chemical shifts" 145 "15N chemical shifts" 31 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 768-800) of human Zinc finger protein 95 homolog ; _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 95 homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2, UNP residues 768-800' $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 768-800' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGSSTKSHQCHECGR GFTLKSHLNQHQRIHTGEKP SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 SER 10 THR 11 LYS 12 SER 13 HIS 14 GLN 15 CYS 16 HIS 17 GLU 18 CYS 19 GLY 20 ARG 21 GLY 22 PHE 23 THR 24 LEU 25 LYS 26 SER 27 HIS 28 LEU 29 ASN 30 GLN 31 HIS 32 GLN 33 ARG 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 2EM5 "Solution Structure Of The C2h2 Type Zinc Finger (Region 768- 800) Of Human Zinc Finger Protein 95 Homolog" 100.00 46 100.00 100.00 6.59e-22 DBJ BAM63490 "zinc finger protein with KRAB and SCAN domains 5, partial [Macaca fascicularis]" 71.74 72 100.00 100.00 2.96e-14 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 P061225-15 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 % . D2O 10 % . H2O 90 % . 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, UNP residues 768-800' _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 10 10 THR CA C 62.043 0.300 1 2 10 10 THR HA H 4.275 0.030 1 3 10 10 THR CB C 69.619 0.300 1 4 10 10 THR HB H 4.151 0.030 1 5 10 10 THR CG2 C 21.639 0.300 1 6 10 10 THR HG2 H 1.132 0.030 1 7 10 10 THR C C 174.384 0.300 1 8 11 11 LYS N N 124.060 0.300 1 9 11 11 LYS H H 8.302 0.030 1 10 11 11 LYS CA C 55.798 0.300 1 11 11 11 LYS HA H 4.240 0.030 1 12 11 11 LYS CB C 32.582 0.300 1 13 11 11 LYS HB2 H 1.626 0.030 1 14 11 11 LYS HB3 H 1.626 0.030 1 15 11 11 LYS CG C 24.642 0.300 1 16 11 11 LYS HG2 H 1.240 0.030 2 17 11 11 LYS HG3 H 1.305 0.030 2 18 11 11 LYS CD C 29.010 0.300 1 19 11 11 LYS HD2 H 1.535 0.030 1 20 11 11 LYS HD3 H 1.535 0.030 1 21 11 11 LYS CE C 42.199 0.300 1 22 11 11 LYS HE2 H 2.891 0.030 2 23 11 11 LYS C C 175.995 0.300 1 24 12 12 SER N N 116.110 0.300 1 25 12 12 SER H H 7.977 0.030 1 26 12 12 SER CA C 58.636 0.300 1 27 12 12 SER HA H 4.260 0.030 1 28 12 12 SER CB C 64.029 0.300 1 29 12 12 SER HB2 H 3.576 0.030 1 30 12 12 SER HB3 H 3.576 0.030 1 31 12 12 SER C C 173.332 0.300 1 32 13 13 HIS N N 122.195 0.300 1 33 13 13 HIS H H 8.407 0.030 1 34 13 13 HIS CA C 55.603 0.300 1 35 13 13 HIS HA H 4.625 0.030 1 36 13 13 HIS CB C 31.227 0.300 1 37 13 13 HIS HB2 H 2.919 0.030 1 38 13 13 HIS HB3 H 2.919 0.030 1 39 13 13 HIS CD2 C 119.795 0.300 1 40 13 13 HIS HD2 H 6.729 0.030 1 41 13 13 HIS CE1 C 138.582 0.300 1 42 13 13 HIS HE1 H 7.727 0.030 1 43 13 13 HIS C C 174.550 0.300 1 44 14 14 GLN N N 123.997 0.300 1 45 14 14 GLN H H 8.662 0.030 1 46 14 14 GLN CA C 54.912 0.300 1 47 14 14 GLN HA H 4.909 0.030 1 48 14 14 GLN CB C 31.614 0.300 1 49 14 14 GLN HB2 H 1.782 0.030 1 50 14 14 GLN HB3 H 1.782 0.030 1 51 14 14 GLN CG C 33.949 0.300 1 52 14 14 GLN HG2 H 1.982 0.030 1 53 14 14 GLN HG3 H 1.982 0.030 1 54 14 14 GLN NE2 N 111.414 0.300 1 55 14 14 GLN HE21 H 6.686 0.030 2 56 14 14 GLN HE22 H 7.391 0.030 2 57 14 14 GLN C C 174.837 0.300 1 58 15 15 CYS N N 126.364 0.300 1 59 15 15 CYS H H 9.186 0.030 1 60 15 15 CYS CA C 59.390 0.300 1 61 15 15 CYS HA H 4.532 0.030 1 62 15 15 CYS CB C 29.575 0.300 1 63 15 15 CYS HB2 H 2.851 0.030 2 64 15 15 CYS HB3 H 3.401 0.030 2 65 15 15 CYS C C 177.214 0.300 1 66 16 16 HIS CA C 58.476 0.300 1 67 16 16 HIS HA H 4.471 0.030 1 68 16 16 HIS CB C 29.832 0.300 1 69 16 16 HIS HB2 H 3.211 0.030 1 70 16 16 HIS HB3 H 3.211 0.030 1 71 16 16 HIS CD2 C 119.646 0.300 1 72 16 16 HIS HD2 H 7.101 0.030 1 73 16 16 HIS CE1 C 138.347 0.300 1 74 16 16 HIS HE1 H 7.930 0.030 1 75 16 16 HIS C C 175.596 0.300 1 76 17 17 GLU N N 120.837 0.300 1 77 17 17 GLU H H 8.472 0.030 1 78 17 17 GLU CA C 58.401 0.300 1 79 17 17 GLU HA H 4.121 0.030 1 80 17 17 GLU CB C 29.314 0.300 1 81 17 17 GLU HB2 H 1.248 0.030 1 82 17 17 GLU HB3 H 1.248 0.030 1 83 17 17 GLU CG C 35.555 0.300 1 84 17 17 GLU HG2 H 1.640 0.030 2 85 17 17 GLU HG3 H 1.767 0.030 2 86 17 17 GLU C C 177.130 0.300 1 87 18 18 CYS N N 114.120 0.300 1 88 18 18 CYS H H 7.802 0.030 1 89 18 18 CYS CA C 58.221 0.300 1 90 18 18 CYS HA H 5.117 0.030 1 91 18 18 CYS CB C 32.389 0.300 1 92 18 18 CYS HB2 H 2.848 0.030 2 93 18 18 CYS HB3 H 3.394 0.030 2 94 18 18 CYS C C 176.179 0.300 1 95 19 19 GLY N N 113.325 0.300 1 96 19 19 GLY H H 8.099 0.030 1 97 19 19 GLY CA C 46.177 0.300 1 98 19 19 GLY HA2 H 3.804 0.030 2 99 19 19 GLY HA3 H 4.212 0.030 2 100 19 19 GLY C C 173.985 0.300 1 101 20 20 ARG N N 122.410 0.300 1 102 20 20 ARG H H 7.910 0.030 1 103 20 20 ARG CA C 57.691 0.300 1 104 20 20 ARG HA H 3.970 0.030 1 105 20 20 ARG CB C 31.437 0.300 1 106 20 20 ARG HB2 H 1.262 0.030 2 107 20 20 ARG HB3 H 1.385 0.030 2 108 20 20 ARG CG C 27.951 0.300 1 109 20 20 ARG HG2 H 1.700 0.030 2 110 20 20 ARG HG3 H 1.296 0.030 2 111 20 20 ARG CD C 43.518 0.300 1 112 20 20 ARG HD2 H 2.854 0.030 2 113 20 20 ARG HD3 H 3.065 0.030 2 114 20 20 ARG C C 174.491 0.300 1 115 21 21 GLY N N 108.663 0.300 1 116 21 21 GLY H H 8.053 0.030 1 117 21 21 GLY CA C 43.942 0.300 1 118 21 21 GLY HA2 H 3.349 0.030 2 119 21 21 GLY HA3 H 4.767 0.030 2 120 21 21 GLY C C 172.522 0.300 1 121 22 22 PHE N N 117.603 0.300 1 122 22 22 PHE H H 8.383 0.030 1 123 22 22 PHE CA C 57.190 0.300 1 124 22 22 PHE HA H 4.803 0.030 1 125 22 22 PHE CB C 43.726 0.300 1 126 22 22 PHE HB2 H 2.690 0.030 2 127 22 22 PHE HB3 H 3.415 0.030 2 128 22 22 PHE CD1 C 132.399 0.300 1 129 22 22 PHE HD1 H 7.281 0.030 1 130 22 22 PHE CD2 C 132.399 0.300 1 131 22 22 PHE HD2 H 7.281 0.030 1 132 22 22 PHE CE1 C 130.684 0.300 1 133 22 22 PHE HE1 H 6.787 0.030 1 134 22 22 PHE CE2 C 130.684 0.300 1 135 22 22 PHE HE2 H 6.787 0.030 1 136 22 22 PHE CZ C 128.471 0.300 1 137 22 22 PHE HZ H 6.092 0.030 1 138 22 22 PHE C C 175.623 0.300 1 139 23 23 THR CA C 64.469 0.300 1 140 23 23 THR HA H 4.405 0.030 1 141 23 23 THR CB C 69.258 0.300 1 142 23 23 THR HB H 4.290 0.030 1 143 23 23 THR CG2 C 22.503 0.300 1 144 23 23 THR HG2 H 1.296 0.030 1 145 23 23 THR C C 174.733 0.300 1 146 24 24 LEU N N 118.621 0.300 1 147 24 24 LEU H H 7.397 0.030 1 148 24 24 LEU CA C 52.956 0.300 1 149 24 24 LEU HA H 4.672 0.030 1 150 24 24 LEU CB C 44.907 0.300 1 151 24 24 LEU HB2 H 1.321 0.030 2 152 24 24 LEU HB3 H 0.875 0.030 2 153 24 24 LEU CG C 26.617 0.300 1 154 24 24 LEU HG H 1.421 0.030 1 155 24 24 LEU CD1 C 24.875 0.300 2 156 24 24 LEU HD1 H 0.561 0.030 1 157 24 24 LEU CD2 C 23.075 0.300 2 158 24 24 LEU HD2 H 0.833 0.030 1 159 24 24 LEU C C 177.120 0.300 1 160 25 25 LYS N N 125.592 0.300 1 161 25 25 LYS H H 8.555 0.030 1 162 25 25 LYS CA C 59.139 0.300 1 163 25 25 LYS HA H 3.201 0.030 1 164 25 25 LYS CB C 31.829 0.300 1 165 25 25 LYS HB2 H 1.198 0.030 2 166 25 25 LYS HB3 H 1.545 0.030 2 167 25 25 LYS CG C 24.636 0.300 1 168 25 25 LYS HG2 H 1.122 0.030 2 169 25 25 LYS HG3 H 1.227 0.030 2 170 25 25 LYS CD C 28.995 0.300 1 171 25 25 LYS HD2 H 1.535 0.030 2 172 25 25 LYS HD3 H 1.627 0.030 2 173 25 25 LYS CE C 42.236 0.300 1 174 25 25 LYS HE2 H 2.963 0.030 1 175 25 25 LYS HE3 H 2.963 0.030 1 176 25 25 LYS C C 178.110 0.300 1 177 26 26 SER CA C 60.759 0.300 1 178 26 26 SER HA H 4.034 0.030 1 179 26 26 SER CB C 61.446 0.300 1 180 26 26 SER HB2 H 3.792 0.030 1 181 26 26 SER HB3 H 3.792 0.030 1 182 26 26 SER C C 177.426 0.300 1 183 27 27 HIS N N 121.342 0.300 1 184 27 27 HIS H H 6.706 0.030 1 185 27 27 HIS CA C 57.237 0.300 1 186 27 27 HIS HA H 4.420 0.030 1 187 27 27 HIS CB C 31.574 0.300 1 188 27 27 HIS HB2 H 3.170 0.030 2 189 27 27 HIS HB3 H 3.407 0.030 2 190 27 27 HIS CD2 C 116.627 0.300 1 191 27 27 HIS HD2 H 6.932 0.030 1 192 27 27 HIS CE1 C 139.168 0.300 1 193 27 27 HIS HE1 H 7.787 0.030 1 194 27 27 HIS C C 178.457 0.300 1 195 28 28 LEU N N 122.540 0.300 1 196 28 28 LEU H H 7.190 0.030 1 197 28 28 LEU CA C 57.976 0.300 1 198 28 28 LEU HA H 3.191 0.030 1 199 28 28 LEU CB C 40.034 0.300 1 200 28 28 LEU HB2 H 2.002 0.030 2 201 28 28 LEU HB3 H 1.275 0.030 2 202 28 28 LEU CG C 27.533 0.300 1 203 28 28 LEU HG H 1.510 0.030 1 204 28 28 LEU CD1 C 26.728 0.300 2 205 28 28 LEU HD1 H 0.940 0.030 1 206 28 28 LEU CD2 C 22.783 0.300 2 207 28 28 LEU HD2 H 0.999 0.030 1 208 28 28 LEU C C 177.619 0.300 1 209 29 29 ASN N N 117.886 0.300 1 210 29 29 ASN H H 8.500 0.030 1 211 29 29 ASN CA C 56.124 0.300 1 212 29 29 ASN HA H 4.427 0.030 1 213 29 29 ASN CB C 37.934 0.300 1 214 29 29 ASN HB2 H 2.765 0.030 1 215 29 29 ASN HB3 H 2.765 0.030 1 216 29 29 ASN ND2 N 110.014 0.300 1 217 29 29 ASN HD21 H 7.488 0.030 2 218 29 29 ASN HD22 H 6.822 0.030 2 219 29 29 ASN C C 178.015 0.300 1 220 30 30 GLN N N 118.146 0.300 1 221 30 30 GLN H H 7.682 0.030 1 222 30 30 GLN CA C 58.640 0.300 1 223 30 30 GLN HA H 3.961 0.030 1 224 30 30 GLN CB C 28.485 0.300 1 225 30 30 GLN HB2 H 2.052 0.030 1 226 30 30 GLN HB3 H 2.052 0.030 1 227 30 30 GLN CG C 33.603 0.300 1 228 30 30 GLN HG2 H 2.382 0.030 2 229 30 30 GLN HG3 H 2.443 0.030 2 230 30 30 GLN NE2 N 111.677 0.300 1 231 30 30 GLN HE21 H 6.820 0.030 2 232 30 30 GLN HE22 H 7.398 0.030 2 233 30 30 GLN C C 178.333 0.300 1 234 31 31 HIS N N 119.699 0.300 1 235 31 31 HIS H H 7.693 0.030 1 236 31 31 HIS CA C 58.923 0.300 1 237 31 31 HIS HA H 4.181 0.030 1 238 31 31 HIS CB C 28.433 0.300 1 239 31 31 HIS HB2 H 2.824 0.030 2 240 31 31 HIS HB3 H 3.089 0.030 2 241 31 31 HIS CD2 C 127.269 0.300 1 242 31 31 HIS HD2 H 6.887 0.030 1 243 31 31 HIS CE1 C 139.456 0.300 1 244 31 31 HIS HE1 H 7.988 0.030 1 245 31 31 HIS C C 176.132 0.300 1 246 32 32 GLN N N 115.052 0.300 1 247 32 32 GLN H H 8.305 0.030 1 248 32 32 GLN CA C 59.218 0.300 1 249 32 32 GLN HA H 3.660 0.030 1 250 32 32 GLN CB C 28.322 0.300 1 251 32 32 GLN HB2 H 2.206 0.030 2 252 32 32 GLN HB3 H 2.286 0.030 2 253 32 32 GLN CG C 35.192 0.300 1 254 32 32 GLN HG2 H 2.783 0.030 1 255 32 32 GLN HG3 H 2.783 0.030 1 256 32 32 GLN NE2 N 112.774 0.300 1 257 32 32 GLN HE21 H 7.096 0.030 2 258 32 32 GLN HE22 H 7.627 0.030 2 259 32 32 GLN C C 177.230 0.300 1 260 33 33 ARG N N 117.232 0.300 1 261 33 33 ARG H H 7.068 0.030 1 262 33 33 ARG CA C 58.313 0.300 1 263 33 33 ARG HA H 4.101 0.030 1 264 33 33 ARG CB C 29.942 0.300 1 265 33 33 ARG HB2 H 1.747 0.030 2 266 33 33 ARG HB3 H 1.859 0.030 2 267 33 33 ARG CG C 27.385 0.300 1 268 33 33 ARG HG2 H 1.642 0.030 2 269 33 33 ARG HG3 H 1.781 0.030 2 270 33 33 ARG CD C 43.423 0.300 1 271 33 33 ARG HD2 H 3.168 0.030 1 272 33 33 ARG HD3 H 3.168 0.030 1 273 33 33 ARG C C 178.473 0.300 1 274 34 34 ILE N N 116.070 0.300 1 275 34 34 ILE H H 7.787 0.030 1 276 34 34 ILE CA C 62.914 0.300 1 277 34 34 ILE HA H 3.973 0.030 1 278 34 34 ILE CB C 37.629 0.300 1 279 34 34 ILE HB H 1.669 0.030 1 280 34 34 ILE CG1 C 26.518 0.300 1 281 34 34 ILE HG12 H 0.893 0.030 2 282 34 34 ILE HG13 H 0.680 0.030 2 283 34 34 ILE CG2 C 16.526 0.300 1 284 34 34 ILE HG2 H 0.550 0.030 1 285 34 34 ILE CD1 C 14.324 0.300 1 286 34 34 ILE HD1 H 0.672 0.030 1 287 34 34 ILE C C 177.355 0.300 1 288 35 35 HIS N N 117.906 0.300 1 289 35 35 HIS H H 7.208 0.030 1 290 35 35 HIS CA C 55.220 0.300 1 291 35 35 HIS HA H 4.832 0.030 1 292 35 35 HIS CB C 28.533 0.300 1 293 35 35 HIS HB2 H 3.194 0.030 2 294 35 35 HIS HB3 H 3.317 0.030 2 295 35 35 HIS CD2 C 127.660 0.300 1 296 35 35 HIS HD2 H 6.706 0.030 1 297 35 35 HIS CE1 C 140.000 0.300 1 298 35 35 HIS HE1 H 8.037 0.030 1 299 35 35 HIS C C 175.765 0.300 1 300 36 36 THR N N 111.781 0.300 1 301 36 36 THR H H 7.764 0.030 1 302 36 36 THR CA C 62.457 0.300 1 303 36 36 THR HA H 4.330 0.030 1 304 36 36 THR CB C 69.813 0.300 1 305 36 36 THR HB H 4.309 0.030 1 306 36 36 THR CG2 C 21.558 0.300 1 307 36 36 THR HG2 H 1.216 0.030 1 308 36 36 THR C C 175.440 0.300 1 309 37 37 GLY N N 110.636 0.300 1 310 37 37 GLY H H 8.211 0.030 1 311 37 37 GLY CA C 45.325 0.300 1 312 37 37 GLY HA2 H 3.923 0.030 2 313 37 37 GLY HA3 H 4.004 0.030 2 314 37 37 GLY C C 174.040 0.300 1 315 38 38 GLU N N 120.567 0.300 1 316 38 38 GLU H H 8.073 0.030 1 317 38 38 GLU CA C 56.418 0.300 1 318 38 38 GLU HA H 4.217 0.030 1 319 38 38 GLU CB C 30.522 0.300 1 320 38 38 GLU HB2 H 1.872 0.030 2 321 38 38 GLU HB3 H 1.964 0.030 2 322 38 38 GLU CG C 36.226 0.300 1 323 38 38 GLU HG2 H 2.180 0.030 2 324 38 38 GLU HG3 H 2.238 0.030 2 325 38 38 GLU C C 176.215 0.300 1 326 39 39 LYS N N 123.787 0.300 1 327 39 39 LYS H H 8.387 0.030 1 328 39 39 LYS CA C 54.102 0.300 1 329 39 39 LYS HA H 4.575 0.030 1 330 39 39 LYS CB C 32.422 0.300 1 331 39 39 LYS HB2 H 1.695 0.030 2 332 39 39 LYS HB3 H 1.786 0.030 2 333 39 39 LYS CG C 24.472 0.300 1 334 39 39 LYS HG2 H 1.435 0.030 1 335 39 39 LYS HG3 H 1.435 0.030 1 336 39 39 LYS CD C 29.111 0.300 1 337 39 39 LYS HD2 H 1.655 0.030 1 338 39 39 LYS HD3 H 1.655 0.030 1 339 39 39 LYS CE C 42.154 0.300 1 340 39 39 LYS HE2 H 2.971 0.030 2 341 39 39 LYS C C 174.478 0.300 1 342 40 40 PRO CA C 63.208 0.300 1 343 40 40 PRO HA H 4.440 0.030 1 344 40 40 PRO CB C 32.147 0.300 1 345 40 40 PRO HB2 H 2.283 0.030 2 346 40 40 PRO HB3 H 1.938 0.030 2 347 40 40 PRO CG C 27.350 0.300 1 348 40 40 PRO HG2 H 1.985 0.030 1 349 40 40 PRO HG3 H 1.985 0.030 1 350 40 40 PRO CD C 50.653 0.300 1 351 40 40 PRO HD2 H 3.613 0.030 2 352 40 40 PRO HD3 H 3.789 0.030 2 353 43 43 PRO CA C 63.124 0.300 1 354 43 43 PRO HA H 4.417 0.030 1 355 43 43 PRO CB C 32.161 0.300 1 356 43 43 PRO HB2 H 2.266 0.030 2 357 43 43 PRO HB3 H 1.906 0.030 2 358 43 43 PRO CG C 27.124 0.300 1 359 43 43 PRO HG2 H 1.985 0.030 1 360 43 43 PRO HG3 H 1.985 0.030 1 361 43 43 PRO CD C 49.769 0.300 1 362 43 43 PRO HD2 H 3.594 0.030 1 363 43 43 PRO HD3 H 3.594 0.030 1 364 45 45 SER CA C 58.357 0.300 1 365 45 45 SER HA H 4.478 0.030 1 366 45 45 SER CB C 63.886 0.300 1 367 45 45 SER HB2 H 3.855 0.030 1 368 45 45 SER HB3 H 3.855 0.030 1 369 45 45 SER C C 173.890 0.300 1 370 46 46 GLY N N 116.845 0.300 1 371 46 46 GLY H H 8.028 0.030 1 372 46 46 GLY CA C 46.194 0.300 1 373 46 46 GLY C C 178.964 0.300 1 stop_ save_