data_10186 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 369-401) of human Zinc finger protein 95 homolog ; _BMRB_accession_number 10186 _BMRB_flat_file_name bmr10186.str _Entry_type original _Submission_date 2008-02-06 _Accession_date 2008-02-07 _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" 220 "13C chemical shifts" 157 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-26 original author . stop_ _Original_release_date 2009-02-26 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 369-401) 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 369-401' $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 369-401' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPFKCGECGK SYNQRVHLTQHQRVHTGEKP 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 PHE 14 LYS 15 CYS 16 GLY 17 GLU 18 CYS 19 GLY 20 LYS 21 SER 22 TYR 23 ASN 24 GLN 25 ARG 26 VAL 27 HIS 28 LEU 29 THR 30 GLN 31 HIS 32 GLN 33 ARG 34 VAL 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 2YTG "Solution Structure Of The C2h2 Type Zinc Finger (Region 369- 401) Of Human Zinc Finger Protein 95 Homolog" 100.00 46 100.00 100.00 5.07e-23 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 P061225-37 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 0.050 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 TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE II' _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 369-401' _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 61.919 0.300 1 2 8 8 THR HA H 4.367 0.030 1 3 8 8 THR CB C 69.796 0.300 1 4 8 8 THR HB H 4.301 0.030 1 5 8 8 THR CG2 C 21.528 0.300 1 6 8 8 THR HG2 H 1.200 0.030 1 7 8 8 THR C C 175.193 0.300 1 8 9 9 GLY N N 111.079 0.300 1 9 9 9 GLY H H 8.450 0.030 1 10 9 9 GLY CA C 45.243 0.300 1 11 9 9 GLY HA2 H 3.956 0.030 1 12 9 9 GLY HA3 H 3.956 0.030 1 13 9 9 GLY C C 173.979 0.300 1 14 10 10 GLU N N 120.501 0.300 1 15 10 10 GLU H H 8.192 0.030 1 16 10 10 GLU CA C 56.560 0.300 1 17 10 10 GLU HA H 4.198 0.030 1 18 10 10 GLU CB C 30.474 0.300 1 19 10 10 GLU HB2 H 1.884 0.030 2 20 10 10 GLU HB3 H 1.968 0.030 2 21 10 10 GLU CG C 36.242 0.300 1 22 10 10 GLU HG2 H 2.220 0.030 1 23 10 10 GLU HG3 H 2.220 0.030 1 24 10 10 GLU C C 176.188 0.300 1 25 11 11 LYS N N 122.926 0.300 1 26 11 11 LYS H H 8.346 0.030 1 27 11 11 LYS CA C 54.399 0.300 1 28 11 11 LYS HA H 4.447 0.030 1 29 11 11 LYS CB C 32.473 0.300 1 30 11 11 LYS HB2 H 1.488 0.030 1 31 11 11 LYS HB3 H 1.488 0.030 1 32 11 11 LYS CG C 25.201 0.300 1 33 11 11 LYS HG2 H 1.242 0.030 2 34 11 11 LYS HG3 H 1.343 0.030 2 35 11 11 LYS CD C 29.380 0.300 1 36 11 11 LYS HD2 H 1.515 0.030 2 37 11 11 LYS HD3 H 1.429 0.030 2 38 11 11 LYS CE C 42.318 0.300 1 39 11 11 LYS HE2 H 2.935 0.030 1 40 11 11 LYS HE3 H 2.935 0.030 1 41 11 11 LYS C C 174.709 0.300 1 42 12 12 PRO CA C 64.071 0.300 1 43 12 12 PRO HA H 4.194 0.030 1 44 12 12 PRO CB C 32.233 0.300 1 45 12 12 PRO HB2 H 1.992 0.030 2 46 12 12 PRO HB3 H 1.132 0.030 2 47 12 12 PRO CG C 27.025 0.300 1 48 12 12 PRO HG2 H 1.704 0.030 2 49 12 12 PRO HG3 H 1.860 0.030 2 50 12 12 PRO CD C 50.623 0.300 1 51 12 12 PRO HD2 H 3.656 0.030 2 52 12 12 PRO HD3 H 3.740 0.030 2 53 12 12 PRO C C 176.563 0.300 1 54 13 13 PHE N N 117.437 0.300 1 55 13 13 PHE H H 7.906 0.030 1 56 13 13 PHE CA C 57.216 0.300 1 57 13 13 PHE HA H 4.733 0.030 1 58 13 13 PHE CB C 38.760 0.300 1 59 13 13 PHE HB2 H 2.917 0.030 2 60 13 13 PHE HB3 H 3.018 0.030 2 61 13 13 PHE CD1 C 131.626 0.300 1 62 13 13 PHE HD1 H 7.113 0.030 1 63 13 13 PHE CD2 C 131.626 0.300 1 64 13 13 PHE HD2 H 7.113 0.030 1 65 13 13 PHE CE1 C 131.606 0.300 1 66 13 13 PHE HE1 H 7.397 0.030 1 67 13 13 PHE CE2 C 131.606 0.300 1 68 13 13 PHE HE2 H 7.397 0.030 1 69 13 13 PHE CZ C 130.235 0.300 1 70 13 13 PHE HZ H 7.382 0.030 1 71 13 13 PHE C C 174.019 0.300 1 72 14 14 LYS N N 125.906 0.300 1 73 14 14 LYS H H 8.558 0.030 1 74 14 14 LYS CA C 55.253 0.300 1 75 14 14 LYS HA H 4.753 0.030 1 76 14 14 LYS CB C 35.471 0.300 1 77 14 14 LYS HB2 H 1.580 0.030 2 78 14 14 LYS HB3 H 1.708 0.030 2 79 14 14 LYS CG C 24.698 0.300 1 80 14 14 LYS HG2 H 1.153 0.030 2 81 14 14 LYS HG3 H 1.205 0.030 2 82 14 14 LYS CD C 29.530 0.300 1 83 14 14 LYS HD2 H 1.604 0.030 1 84 14 14 LYS HD3 H 1.604 0.030 1 85 14 14 LYS CE C 42.063 0.300 1 86 14 14 LYS HE2 H 2.961 0.030 1 87 14 14 LYS HE3 H 2.961 0.030 1 88 14 14 LYS C C 175.156 0.300 1 89 15 15 CYS N N 128.017 0.300 1 90 15 15 CYS H H 9.322 0.030 1 91 15 15 CYS CA C 59.976 0.300 1 92 15 15 CYS HA H 4.451 0.030 1 93 15 15 CYS CB C 29.411 0.300 1 94 15 15 CYS HB2 H 3.442 0.030 2 95 15 15 CYS HB3 H 2.908 0.030 2 96 15 15 CYS C C 177.343 0.300 1 97 16 16 GLY N N 120.643 0.300 1 98 16 16 GLY H H 9.425 0.030 1 99 16 16 GLY CA C 46.692 0.300 1 100 16 16 GLY HA2 H 3.969 0.030 2 101 16 16 GLY HA3 H 4.034 0.030 2 102 16 16 GLY C C 174.008 0.300 1 103 17 17 GLU N N 121.284 0.300 1 104 17 17 GLU H H 8.683 0.030 1 105 17 17 GLU CA C 57.922 0.300 1 106 17 17 GLU HA H 4.295 0.030 1 107 17 17 GLU CB C 29.778 0.300 1 108 17 17 GLU HB2 H 1.344 0.030 1 109 17 17 GLU HB3 H 1.344 0.030 1 110 17 17 GLU CG C 35.803 0.300 1 111 17 17 GLU HG2 H 1.783 0.030 2 112 17 17 GLU HG3 H 1.885 0.030 2 113 17 17 GLU C C 177.066 0.300 1 114 18 18 CYS N N 115.033 0.300 1 115 18 18 CYS H H 7.942 0.030 1 116 18 18 CYS CA C 58.453 0.300 1 117 18 18 CYS HA H 5.187 0.030 1 118 18 18 CYS CB C 32.524 0.300 1 119 18 18 CYS HB2 H 3.438 0.030 2 120 18 18 CYS HB3 H 2.886 0.030 2 121 18 18 CYS C C 176.135 0.300 1 122 19 19 GLY N N 112.484 0.300 1 123 19 19 GLY H H 8.139 0.030 1 124 19 19 GLY CA C 46.297 0.300 1 125 19 19 GLY HA2 H 4.269 0.030 2 126 19 19 GLY HA3 H 3.800 0.030 2 127 19 19 GLY C C 174.065 0.300 1 128 20 20 LYS N N 123.711 0.300 1 129 20 20 LYS H H 8.048 0.030 1 130 20 20 LYS CA C 58.446 0.300 1 131 20 20 LYS HA H 4.045 0.030 1 132 20 20 LYS CB C 33.391 0.300 1 133 20 20 LYS HB2 H 1.293 0.030 2 134 20 20 LYS HB3 H 1.345 0.030 2 135 20 20 LYS CG C 26.539 0.300 1 136 20 20 LYS HG2 H 1.294 0.030 2 137 20 20 LYS HG3 H 1.526 0.030 2 138 20 20 LYS CD C 29.043 0.300 1 139 20 20 LYS HD2 H 1.499 0.030 2 140 20 20 LYS HD3 H 1.544 0.030 2 141 20 20 LYS CE C 42.322 0.300 1 142 20 20 LYS HE2 H 2.932 0.030 1 143 20 20 LYS HE3 H 2.932 0.030 1 144 20 20 LYS C C 174.750 0.300 1 145 21 21 SER N N 114.286 0.300 1 146 21 21 SER H H 7.863 0.030 1 147 21 21 SER CA C 56.933 0.300 1 148 21 21 SER HA H 5.398 0.030 1 149 21 21 SER CB C 66.461 0.300 1 150 21 21 SER HB2 H 3.595 0.030 1 151 21 21 SER HB3 H 3.595 0.030 1 152 21 21 SER C C 172.635 0.300 1 153 22 22 TYR N N 117.528 0.300 1 154 22 22 TYR H H 8.774 0.030 1 155 22 22 TYR CA C 58.061 0.300 1 156 22 22 TYR HA H 4.750 0.030 1 157 22 22 TYR CB C 44.125 0.300 1 158 22 22 TYR HB2 H 3.588 0.030 2 159 22 22 TYR HB3 H 2.642 0.030 2 160 22 22 TYR CD1 C 133.345 0.300 1 161 22 22 TYR HD1 H 7.103 0.030 1 162 22 22 TYR CD2 C 133.345 0.300 1 163 22 22 TYR HD2 H 7.103 0.030 1 164 22 22 TYR CE1 C 117.557 0.300 1 165 22 22 TYR HE1 H 6.345 0.030 1 166 22 22 TYR CE2 C 117.557 0.300 1 167 22 22 TYR HE2 H 6.345 0.030 1 168 22 22 TYR C C 174.955 0.300 1 169 23 23 ASN N N 118.657 0.300 1 170 23 23 ASN H H 9.444 0.030 1 171 23 23 ASN CA C 54.765 0.300 1 172 23 23 ASN HA H 5.029 0.030 1 173 23 23 ASN CB C 40.282 0.300 1 174 23 23 ASN HB2 H 3.003 0.030 2 175 23 23 ASN HB3 H 3.089 0.030 2 176 23 23 ASN ND2 N 112.369 0.300 1 177 23 23 ASN HD21 H 7.828 0.030 2 178 23 23 ASN HD22 H 7.096 0.030 2 179 23 23 ASN C C 175.004 0.300 1 180 24 24 GLN N N 114.619 0.300 1 181 24 24 GLN H H 7.579 0.030 1 182 24 24 GLN CA C 54.151 0.300 1 183 24 24 GLN HA H 4.692 0.030 1 184 24 24 GLN CB C 31.829 0.300 1 185 24 24 GLN HB2 H 1.940 0.030 2 186 24 24 GLN HB3 H 1.233 0.030 2 187 24 24 GLN CG C 33.617 0.300 1 188 24 24 GLN HG2 H 2.262 0.030 2 189 24 24 GLN HG3 H 2.329 0.030 2 190 24 24 GLN NE2 N 111.933 0.300 1 191 24 24 GLN HE21 H 6.863 0.030 2 192 24 24 GLN HE22 H 7.510 0.030 2 193 24 24 GLN C C 175.731 0.300 1 194 25 25 ARG N N 127.274 0.300 1 195 25 25 ARG H H 8.350 0.030 1 196 25 25 ARG CA C 59.687 0.300 1 197 25 25 ARG HA H 2.879 0.030 1 198 25 25 ARG CB C 29.082 0.300 1 199 25 25 ARG HB2 H 0.965 0.030 2 200 25 25 ARG HB3 H 1.381 0.030 2 201 25 25 ARG CG C 27.235 0.300 1 202 25 25 ARG HG2 H 1.197 0.030 2 203 25 25 ARG HG3 H 1.315 0.030 2 204 25 25 ARG CD C 42.931 0.300 1 205 25 25 ARG HD2 H 3.005 0.030 2 206 25 25 ARG HD3 H 3.081 0.030 2 207 25 25 ARG C C 178.363 0.300 1 208 26 26 VAL N N 115.093 0.300 1 209 26 26 VAL H H 8.274 0.030 1 210 26 26 VAL CA C 64.611 0.300 1 211 26 26 VAL HA H 3.908 0.030 1 212 26 26 VAL CB C 31.070 0.300 1 213 26 26 VAL HB H 1.979 0.030 1 214 26 26 VAL CG1 C 20.955 0.300 2 215 26 26 VAL HG1 H 0.849 0.030 1 216 26 26 VAL CG2 C 20.021 0.300 2 217 26 26 VAL HG2 H 0.687 0.030 1 218 26 26 VAL C C 176.893 0.300 1 219 27 27 HIS N N 119.161 0.300 1 220 27 27 HIS H H 6.525 0.030 1 221 27 27 HIS CA C 57.177 0.300 1 222 27 27 HIS HA H 4.387 0.030 1 223 27 27 HIS CB C 31.423 0.300 1 224 27 27 HIS HB2 H 3.167 0.030 2 225 27 27 HIS HB3 H 2.991 0.030 2 226 27 27 HIS CD2 C 116.677 0.300 1 227 27 27 HIS HD2 H 6.922 0.030 1 228 27 27 HIS CE1 C 138.975 0.300 1 229 27 27 HIS HE1 H 7.782 0.030 1 230 27 27 HIS C C 178.508 0.300 1 231 28 28 LEU N N 121.662 0.300 1 232 28 28 LEU H H 7.064 0.030 1 233 28 28 LEU CA C 58.041 0.300 1 234 28 28 LEU HA H 3.807 0.030 1 235 28 28 LEU CB C 40.232 0.300 1 236 28 28 LEU HB2 H 2.158 0.030 2 237 28 28 LEU HB3 H 1.394 0.030 2 238 28 28 LEU CG C 27.544 0.300 1 239 28 28 LEU HG H 1.596 0.030 1 240 28 28 LEU CD1 C 26.478 0.300 2 241 28 28 LEU HD1 H 1.031 0.030 1 242 28 28 LEU CD2 C 22.740 0.300 2 243 28 28 LEU HD2 H 1.132 0.030 1 244 28 28 LEU C C 177.776 0.300 1 245 29 29 THR N N 116.331 0.300 1 246 29 29 THR H H 8.606 0.030 1 247 29 29 THR CA C 66.300 0.300 1 248 29 29 THR HA H 4.009 0.030 1 249 29 29 THR CB C 68.317 0.300 1 250 29 29 THR HB H 4.152 0.030 1 251 29 29 THR CG2 C 22.220 0.300 1 252 29 29 THR HG2 H 1.199 0.030 1 253 29 29 THR C C 177.336 0.300 1 254 30 30 GLN N N 119.465 0.300 1 255 30 30 GLN H H 7.838 0.030 1 256 30 30 GLN CA C 58.851 0.300 1 257 30 30 GLN HA H 3.969 0.030 1 258 30 30 GLN CB C 28.349 0.300 1 259 30 30 GLN HB2 H 2.028 0.030 2 260 30 30 GLN HB3 H 2.113 0.030 2 261 30 30 GLN CG C 33.877 0.300 1 262 30 30 GLN HG2 H 2.388 0.030 2 263 30 30 GLN HG3 H 2.535 0.030 2 264 30 30 GLN NE2 N 111.292 0.300 1 265 30 30 GLN HE21 H 7.396 0.030 2 266 30 30 GLN HE22 H 6.851 0.030 2 267 30 30 GLN C C 178.722 0.300 1 268 31 31 HIS N N 119.993 0.300 1 269 31 31 HIS H H 7.664 0.030 1 270 31 31 HIS CA C 59.107 0.300 1 271 31 31 HIS HA H 4.287 0.030 1 272 31 31 HIS CB C 28.026 0.300 1 273 31 31 HIS HB2 H 3.404 0.030 2 274 31 31 HIS HB3 H 3.148 0.030 2 275 31 31 HIS CD2 C 126.074 0.300 1 276 31 31 HIS HD2 H 6.914 0.030 1 277 31 31 HIS CE1 C 139.639 0.300 1 278 31 31 HIS HE1 H 7.909 0.030 1 279 31 31 HIS C C 176.251 0.300 1 280 32 32 GLN N N 115.117 0.300 1 281 32 32 GLN H H 8.424 0.030 1 282 32 32 GLN CA C 59.472 0.300 1 283 32 32 GLN HA H 3.613 0.030 1 284 32 32 GLN CB C 28.286 0.300 1 285 32 32 GLN HB2 H 2.237 0.030 2 286 32 32 GLN HB3 H 2.336 0.030 2 287 32 32 GLN CG C 35.790 0.300 1 288 32 32 GLN HG2 H 2.831 0.030 2 289 32 32 GLN HG3 H 2.902 0.030 2 290 32 32 GLN NE2 N 112.865 0.300 1 291 32 32 GLN HE21 H 7.090 0.030 2 292 32 32 GLN HE22 H 7.714 0.030 2 293 32 32 GLN C C 177.186 0.300 1 294 33 33 ARG N N 117.852 0.300 1 295 33 33 ARG H H 7.105 0.030 1 296 33 33 ARG CA C 58.492 0.300 1 297 33 33 ARG HA H 4.149 0.030 1 298 33 33 ARG CB C 30.080 0.300 1 299 33 33 ARG HB2 H 1.790 0.030 2 300 33 33 ARG HB3 H 1.898 0.030 2 301 33 33 ARG CG C 27.494 0.300 1 302 33 33 ARG HG2 H 1.687 0.030 2 303 33 33 ARG HG3 H 1.843 0.030 2 304 33 33 ARG CD C 43.488 0.300 1 305 33 33 ARG HD2 H 3.213 0.030 1 306 33 33 ARG HD3 H 3.213 0.030 1 307 33 33 ARG C C 178.535 0.300 1 308 34 34 VAL N N 115.844 0.300 1 309 34 34 VAL H H 7.971 0.030 1 310 34 34 VAL CA C 63.982 0.300 1 311 34 34 VAL HA H 3.936 0.030 1 312 34 34 VAL CB C 31.159 0.300 1 313 34 34 VAL HB H 1.946 0.030 1 314 34 34 VAL CG1 C 19.531 0.300 2 315 34 34 VAL HG1 H 0.509 0.030 1 316 34 34 VAL CG2 C 19.819 0.300 2 317 34 34 VAL HG2 H 0.658 0.030 1 318 34 34 VAL C C 177.254 0.300 1 319 35 35 HIS N N 117.345 0.300 1 320 35 35 HIS H H 7.225 0.030 1 321 35 35 HIS CA C 55.058 0.300 1 322 35 35 HIS HA H 4.895 0.030 1 323 35 35 HIS CB C 28.620 0.300 1 324 35 35 HIS HB2 H 3.387 0.030 2 325 35 35 HIS HB3 H 3.218 0.030 2 326 35 35 HIS CD2 C 127.505 0.300 1 327 35 35 HIS HD2 H 6.721 0.030 1 328 35 35 HIS CE1 C 139.962 0.300 1 329 35 35 HIS HE1 H 8.042 0.030 1 330 35 35 HIS C C 175.716 0.300 1 331 36 36 THR N N 111.842 0.300 1 332 36 36 THR H H 7.775 0.030 1 333 36 36 THR CA C 62.514 0.300 1 334 36 36 THR HA H 4.374 0.030 1 335 36 36 THR CB C 69.853 0.300 1 336 36 36 THR HB H 4.339 0.030 1 337 36 36 THR CG2 C 21.597 0.300 1 338 36 36 THR HG2 H 1.252 0.030 1 339 36 36 THR C C 175.509 0.300 1 340 37 37 GLY N N 110.650 0.300 1 341 37 37 GLY H H 8.235 0.030 1 342 37 37 GLY CA C 45.420 0.300 1 343 37 37 GLY HA2 H 3.960 0.030 2 344 37 37 GLY HA3 H 4.040 0.030 2 345 37 37 GLY C C 173.979 0.300 1 346 38 38 GLU N N 120.601 0.300 1 347 38 38 GLU H H 8.101 0.030 1 348 38 38 GLU CA C 56.476 0.300 1 349 38 38 GLU HA H 4.255 0.030 1 350 38 38 GLU CB C 30.561 0.300 1 351 38 38 GLU HB2 H 1.916 0.030 2 352 38 38 GLU HB3 H 2.002 0.030 2 353 38 38 GLU CG C 36.279 0.300 1 354 38 38 GLU HG2 H 2.279 0.030 2 355 38 38 GLU HG3 H 2.225 0.030 2 356 38 38 GLU C C 176.212 0.300 1 357 39 39 LYS N N 123.814 0.300 1 358 39 39 LYS H H 8.413 0.030 1 359 39 39 LYS CA C 54.245 0.300 1 360 39 39 LYS HA H 4.618 0.030 1 361 39 39 LYS CB C 32.519 0.300 1 362 39 39 LYS HB2 H 1.827 0.030 2 363 39 39 LYS HB3 H 1.738 0.030 2 364 39 39 LYS CG C 24.515 0.300 1 365 39 39 LYS HG2 H 1.480 0.030 1 366 39 39 LYS HG3 H 1.480 0.030 1 367 39 39 LYS CD C 29.151 0.300 1 368 39 39 LYS HD2 H 1.699 0.030 1 369 39 39 LYS HD3 H 1.699 0.030 1 370 39 39 LYS CE C 42.211 0.300 1 371 39 39 LYS HE2 H 3.013 0.030 1 372 39 39 LYS HE3 H 3.013 0.030 1 373 39 39 LYS C C 174.467 0.300 1 374 40 40 PRO CA C 63.219 0.300 1 375 40 40 PRO HA H 4.467 0.030 1 376 40 40 PRO CB C 32.203 0.300 1 377 40 40 PRO HB2 H 2.309 0.030 2 378 40 40 PRO HB3 H 1.949 0.030 2 379 40 40 PRO CG C 27.411 0.300 1 380 40 40 PRO HG2 H 2.028 0.030 1 381 40 40 PRO HG3 H 2.028 0.030 1 382 40 40 PRO CD C 50.682 0.300 1 383 40 40 PRO HD2 H 3.655 0.030 2 384 40 40 PRO HD3 H 3.828 0.030 2 385 40 40 PRO C C 173.930 0.300 1 386 41 41 SER N N 116.519 0.300 1 387 41 41 SER H H 8.488 0.030 1 388 41 41 SER C C 178.949 0.300 1 389 42 42 GLY CA C 44.689 0.300 1 390 42 42 GLY HA2 H 4.119 0.030 2 391 42 42 GLY HA3 H 4.173 0.030 2 392 43 43 PRO CA C 63.267 0.300 1 393 43 43 PRO HA H 4.485 0.030 1 394 43 43 PRO CB C 32.227 0.300 1 395 43 43 PRO HB2 H 2.303 0.030 2 396 43 43 PRO HB3 H 1.968 0.030 2 397 43 43 PRO CG C 27.179 0.300 1 398 43 43 PRO HG2 H 2.026 0.030 1 399 43 43 PRO HG3 H 2.026 0.030 1 400 43 43 PRO CD C 49.806 0.300 1 401 43 43 PRO HD2 H 3.636 0.030 1 402 43 43 PRO HD3 H 3.636 0.030 1 403 45 45 SER CA C 58.370 0.300 1 404 45 45 SER HA H 4.495 0.030 1 405 45 45 SER CB C 64.018 0.300 1 406 45 45 SER HB2 H 3.879 0.030 2 407 45 45 SER C C 173.890 0.300 1 408 46 46 GLY N N 116.869 0.300 1 409 46 46 GLY H H 8.053 0.030 1 410 46 46 GLY CA C 46.243 0.300 1 411 46 46 GLY HA2 H 3.806 0.030 2 412 46 46 GLY HA3 H 3.764 0.030 2 413 46 46 GLY C C 178.949 0.300 1 stop_ save_