data_10223 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 760-792) of human Zinc finger protein 347 ; _BMRB_accession_number 10223 _BMRB_flat_file_name bmr10223.str _Entry_type original _Submission_date 2008-05-22 _Accession_date 2008-05-22 _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" 214 "13C chemical shifts" 144 "15N chemical shifts" 30 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-29 original author . stop_ _Original_release_date 2009-05-29 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 760-792) 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 $entity_1 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common zf-C2H2 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYKCNECGK AFSQTSKLARHQRIHTGEKP 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 SER 24 GLN 25 THR 26 SER 27 LYS 28 LEU 29 ALA 30 ARG 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 2YTR "Solution Structure Of The C2h2 Type Zinc Finger (Region 760- 792) Of Human Zinc Finger Protein 347" 100.00 46 100.00 100.00 7.91e-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 P070115-21 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 '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 _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 _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 6 6 SER HA H 4.489 0.030 1 2 7 7 GLY HA2 H 3.885 0.030 2 3 7 7 GLY HA3 H 4.012 0.030 2 4 7 7 GLY CA C 45.367 0.300 1 5 8 8 THR HA H 4.329 0.030 1 6 8 8 THR HB H 4.255 0.030 1 7 8 8 THR HG2 H 1.158 0.030 1 8 8 8 THR CA C 62.105 0.300 1 9 8 8 THR CB C 69.768 0.300 1 10 8 8 THR CG2 C 21.480 0.300 1 11 9 9 GLY HA2 H 3.880 0.030 2 12 9 9 GLY HA3 H 3.926 0.030 2 13 9 9 GLY CA C 45.213 0.300 1 14 10 10 GLU H H 8.181 0.030 1 15 10 10 GLU HA H 4.130 0.030 1 16 10 10 GLU HB2 H 1.913 0.030 2 17 10 10 GLU HB3 H 1.859 0.030 2 18 10 10 GLU HG2 H 2.200 0.030 2 19 10 10 GLU HG3 H 2.170 0.030 2 20 10 10 GLU CA C 56.831 0.300 1 21 10 10 GLU CB C 30.246 0.300 1 22 10 10 GLU CG C 36.198 0.300 1 23 10 10 GLU N N 120.199 0.300 1 24 11 11 LYS H H 8.309 0.030 1 25 11 11 LYS HA H 4.352 0.030 1 26 11 11 LYS HB2 H 1.493 0.030 2 27 11 11 LYS HB3 H 1.259 0.030 2 28 11 11 LYS HD2 H 1.469 0.030 2 29 11 11 LYS HD3 H 1.403 0.030 2 30 11 11 LYS HE2 H 2.903 0.030 1 31 11 11 LYS HE3 H 2.903 0.030 1 32 11 11 LYS HG2 H 1.258 0.030 2 33 11 11 LYS HG3 H 1.090 0.030 2 34 11 11 LYS C C 174.507 0.300 1 35 11 11 LYS CA C 53.748 0.300 1 36 11 11 LYS CB C 33.171 0.300 1 37 11 11 LYS CD C 29.536 0.300 1 38 11 11 LYS CE C 42.070 0.300 1 39 11 11 LYS CG C 24.917 0.300 1 40 11 11 LYS N N 121.525 0.300 1 41 12 12 PRO HA H 4.174 0.030 1 42 12 12 PRO HB2 H 0.973 0.030 2 43 12 12 PRO HB3 H 1.921 0.030 2 44 12 12 PRO HD2 H 3.506 0.030 2 45 12 12 PRO HD3 H 3.438 0.030 2 46 12 12 PRO HG2 H 1.224 0.030 2 47 12 12 PRO HG3 H 1.648 0.030 2 48 12 12 PRO C C 176.557 0.300 1 49 12 12 PRO CA C 63.551 0.300 1 50 12 12 PRO CB C 32.242 0.300 1 51 12 12 PRO CD C 50.237 0.300 1 52 12 12 PRO CG C 26.305 0.300 1 53 13 13 TYR H H 7.676 0.030 1 54 13 13 TYR HA H 4.750 0.030 1 55 13 13 TYR HB2 H 2.974 0.030 2 56 13 13 TYR HB3 H 2.705 0.030 2 57 13 13 TYR HD1 H 6.906 0.030 1 58 13 13 TYR HD2 H 6.906 0.030 1 59 13 13 TYR HE1 H 6.806 0.030 1 60 13 13 TYR HE2 H 6.806 0.030 1 61 13 13 TYR C C 174.491 0.300 1 62 13 13 TYR CA C 56.955 0.300 1 63 13 13 TYR CB C 37.991 0.300 1 64 13 13 TYR CD1 C 132.890 0.300 1 65 13 13 TYR CD2 C 132.890 0.300 1 66 13 13 TYR CE1 C 118.489 0.300 1 67 13 13 TYR CE2 C 118.489 0.300 1 68 13 13 TYR N N 118.317 0.300 1 69 14 14 LYS H H 8.550 0.030 1 70 14 14 LYS HA H 4.909 0.030 1 71 14 14 LYS HB2 H 1.609 0.030 1 72 14 14 LYS HB3 H 1.609 0.030 1 73 14 14 LYS HD2 H 1.571 0.030 1 74 14 14 LYS HD3 H 1.571 0.030 1 75 14 14 LYS HE2 H 2.909 0.030 1 76 14 14 LYS HE3 H 2.909 0.030 1 77 14 14 LYS HG2 H 1.176 0.030 1 78 14 14 LYS HG3 H 1.176 0.030 1 79 14 14 LYS C C 175.291 0.300 1 80 14 14 LYS CA C 55.212 0.300 1 81 14 14 LYS CB C 35.202 0.300 1 82 14 14 LYS CD C 29.329 0.300 1 83 14 14 LYS CE C 42.069 0.300 1 84 14 14 LYS CG C 24.869 0.300 1 85 14 14 LYS N N 124.883 0.300 1 86 15 15 CYS H H 9.179 0.030 1 87 15 15 CYS HA H 4.479 0.030 1 88 15 15 CYS HB2 H 3.390 0.030 2 89 15 15 CYS HB3 H 2.841 0.030 2 90 15 15 CYS C C 177.105 0.300 1 91 15 15 CYS CA C 59.396 0.300 1 92 15 15 CYS CB C 29.557 0.300 1 93 15 15 CYS N N 126.023 0.300 1 94 16 16 ASN H H 9.374 0.030 1 95 16 16 ASN HA H 4.495 0.030 1 96 16 16 ASN HB2 H 2.860 0.030 1 97 16 16 ASN HB3 H 2.860 0.030 1 98 16 16 ASN HD21 H 6.964 0.030 2 99 16 16 ASN HD22 H 7.667 0.030 2 100 16 16 ASN C C 175.408 0.300 1 101 16 16 ASN CA C 55.627 0.300 1 102 16 16 ASN CB C 38.324 0.300 1 103 16 16 ASN N N 130.192 0.300 1 104 16 16 ASN ND2 N 113.428 0.300 1 105 17 17 GLU H H 8.691 0.030 1 106 17 17 GLU HA H 4.198 0.030 1 107 17 17 GLU HB2 H 1.313 0.030 1 108 17 17 GLU HB3 H 1.313 0.030 1 109 17 17 GLU HG2 H 1.758 0.030 2 110 17 17 GLU HG3 H 1.860 0.030 2 111 17 17 GLU C C 177.098 0.300 1 112 17 17 GLU CA C 58.381 0.300 1 113 17 17 GLU CB C 29.486 0.300 1 114 17 17 GLU CG C 35.680 0.300 1 115 17 17 GLU N N 120.808 0.300 1 116 18 18 CYS H H 7.886 0.030 1 117 18 18 CYS HA H 5.146 0.030 1 118 18 18 CYS HB2 H 3.412 0.030 2 119 18 18 CYS HB3 H 2.832 0.030 2 120 18 18 CYS C C 176.229 0.300 1 121 18 18 CYS CA C 58.295 0.300 1 122 18 18 CYS CB C 32.487 0.300 1 123 18 18 CYS N N 114.653 0.300 1 124 19 19 GLY H H 8.142 0.030 1 125 19 19 GLY HA2 H 3.765 0.030 2 126 19 19 GLY HA3 H 4.228 0.030 2 127 19 19 GLY C C 173.689 0.300 1 128 19 19 GLY CA C 46.178 0.300 1 129 19 19 GLY N N 113.359 0.300 1 130 20 20 LYS H H 7.980 0.030 1 131 20 20 LYS HA H 3.915 0.030 1 132 20 20 LYS HB2 H 1.413 0.030 2 133 20 20 LYS HB3 H 1.192 0.030 2 134 20 20 LYS HD2 H 1.491 0.030 2 135 20 20 LYS HD3 H 1.420 0.030 2 136 20 20 LYS HE2 H 2.895 0.030 2 137 20 20 LYS HE3 H 2.948 0.030 2 138 20 20 LYS HG2 H 1.059 0.030 2 139 20 20 LYS HG3 H 1.392 0.030 2 140 20 20 LYS C C 173.709 0.300 1 141 20 20 LYS CA C 58.301 0.300 1 142 20 20 LYS CB C 33.533 0.300 1 143 20 20 LYS CD C 29.259 0.300 1 144 20 20 LYS CE C 42.215 0.300 1 145 20 20 LYS CG C 26.169 0.300 1 146 20 20 LYS N N 123.220 0.300 1 147 21 21 ALA H H 7.773 0.030 1 148 21 21 ALA HA H 5.085 0.030 1 149 21 21 ALA HB H 1.175 0.030 1 150 21 21 ALA C C 176.075 0.300 1 151 21 21 ALA CA C 50.454 0.300 1 152 21 21 ALA CB C 22.302 0.300 1 153 21 21 ALA N N 124.199 0.300 1 154 22 22 PHE H H 8.752 0.030 1 155 22 22 PHE HA H 4.758 0.030 1 156 22 22 PHE HB2 H 2.717 0.030 2 157 22 22 PHE HB3 H 3.305 0.030 2 158 22 22 PHE HD1 H 7.247 0.030 1 159 22 22 PHE HD2 H 7.247 0.030 1 160 22 22 PHE HE1 H 6.835 0.030 1 161 22 22 PHE HE2 H 6.835 0.030 1 162 22 22 PHE HZ H 6.322 0.030 1 163 22 22 PHE C C 175.610 0.300 1 164 22 22 PHE CA C 57.189 0.300 1 165 22 22 PHE CB C 44.496 0.300 1 166 22 22 PHE CD1 C 132.473 0.300 1 167 22 22 PHE CD2 C 132.473 0.300 1 168 22 22 PHE CE1 C 130.680 0.300 1 169 22 22 PHE CE2 C 130.680 0.300 1 170 22 22 PHE CZ C 128.961 0.300 1 171 22 22 PHE N N 116.243 0.300 1 172 23 23 SER HA H 4.703 0.030 1 173 23 23 SER HB2 H 4.194 0.030 2 174 23 23 SER HB3 H 4.043 0.030 2 175 23 23 SER CA C 59.910 0.300 1 176 23 23 SER CB C 64.442 0.300 1 177 24 24 GLN H H 7.193 0.030 1 178 24 24 GLN HA H 5.016 0.030 1 179 24 24 GLN HB2 H 1.778 0.030 2 180 24 24 GLN HB3 H 2.371 0.030 2 181 24 24 GLN HE21 H 7.545 0.030 2 182 24 24 GLN HE22 H 6.941 0.030 2 183 24 24 GLN HG2 H 2.510 0.030 2 184 24 24 GLN HG3 H 2.468 0.030 2 185 24 24 GLN CA C 54.212 0.300 1 186 24 24 GLN CB C 33.306 0.300 1 187 24 24 GLN CG C 33.755 0.300 1 188 24 24 GLN N N 116.538 0.300 1 189 24 24 GLN NE2 N 112.143 0.300 1 190 25 25 THR HA H 3.308 0.030 1 191 25 25 THR HB H 3.838 0.030 1 192 25 25 THR HG2 H 0.647 0.030 1 193 25 25 THR CA C 65.410 0.300 1 194 25 25 THR CB C 67.602 0.300 1 195 25 25 THR CG2 C 21.375 0.300 1 196 26 26 SER HA H 4.118 0.030 1 197 26 26 SER HB2 H 3.879 0.030 2 198 26 26 SER HB3 H 3.812 0.030 2 199 26 26 SER C C 177.127 0.300 1 200 26 26 SER CA C 60.803 0.300 1 201 26 26 SER CB C 61.469 0.300 1 202 27 27 LYS H H 6.629 0.030 1 203 27 27 LYS HA H 3.994 0.030 1 204 27 27 LYS HB2 H 1.956 0.030 1 205 27 27 LYS HB3 H 1.956 0.030 1 206 27 27 LYS HD2 H 1.816 0.030 2 207 27 27 LYS HD3 H 1.896 0.030 2 208 27 27 LYS HE2 H 3.049 0.030 1 209 27 27 LYS HE3 H 3.049 0.030 1 210 27 27 LYS HG2 H 1.474 0.030 2 211 27 27 LYS HG3 H 1.606 0.030 2 212 27 27 LYS C C 178.777 0.300 1 213 27 27 LYS CA C 58.430 0.300 1 214 27 27 LYS CB C 32.710 0.300 1 215 27 27 LYS CD C 29.339 0.300 1 216 27 27 LYS CE C 42.289 0.300 1 217 27 27 LYS CG C 26.118 0.300 1 218 27 27 LYS N N 121.916 0.300 1 219 28 28 LEU H H 7.010 0.030 1 220 28 28 LEU HA H 3.123 0.030 1 221 28 28 LEU HB2 H 1.162 0.030 2 222 28 28 LEU HB3 H 1.813 0.030 2 223 28 28 LEU HD1 H 0.945 0.030 1 224 28 28 LEU HD2 H 0.878 0.030 1 225 28 28 LEU HG H 1.437 0.030 1 226 28 28 LEU C C 177.314 0.300 1 227 28 28 LEU CA C 57.755 0.300 1 228 28 28 LEU CB C 40.258 0.300 1 229 28 28 LEU CD1 C 22.761 0.300 2 230 28 28 LEU CD2 C 26.339 0.300 2 231 28 28 LEU CG C 27.371 0.300 1 232 28 28 LEU N N 122.007 0.300 1 233 29 29 ALA H H 8.109 0.030 1 234 29 29 ALA HA H 4.132 0.030 1 235 29 29 ALA HB H 1.359 0.030 1 236 29 29 ALA C C 180.600 0.300 1 237 29 29 ALA CA C 55.046 0.300 1 238 29 29 ALA CB C 17.657 0.300 1 239 29 29 ALA N N 120.851 0.300 1 240 30 30 ARG H H 7.359 0.030 1 241 30 30 ARG HA H 3.923 0.030 1 242 30 30 ARG HB2 H 1.800 0.030 1 243 30 30 ARG HB3 H 1.800 0.030 1 244 30 30 ARG HD2 H 3.165 0.030 1 245 30 30 ARG HD3 H 3.165 0.030 1 246 30 30 ARG HG2 H 1.700 0.030 2 247 30 30 ARG HG3 H 1.605 0.030 2 248 30 30 ARG C C 178.903 0.300 1 249 30 30 ARG CA C 58.961 0.300 1 250 30 30 ARG CB C 29.999 0.300 1 251 30 30 ARG CD C 43.277 0.300 1 252 30 30 ARG CG C 27.383 0.300 1 253 30 30 ARG N N 116.625 0.300 1 254 31 31 HIS H H 7.521 0.030 1 255 31 31 HIS HA H 4.176 0.030 1 256 31 31 HIS HB2 H 3.125 0.030 2 257 31 31 HIS HB3 H 2.894 0.030 2 258 31 31 HIS HD2 H 6.899 0.030 1 259 31 31 HIS HE1 H 8.014 0.030 1 260 31 31 HIS C C 176.189 0.300 1 261 31 31 HIS CA C 59.062 0.300 1 262 31 31 HIS CB C 28.455 0.300 1 263 31 31 HIS CD2 C 127.239 0.300 1 264 31 31 HIS CE1 C 139.656 0.300 1 265 31 31 HIS N N 119.368 0.300 1 266 32 32 GLN H H 8.334 0.030 1 267 32 32 GLN HA H 3.658 0.030 1 268 32 32 GLN HB2 H 2.248 0.030 2 269 32 32 GLN HB3 H 2.197 0.030 2 270 32 32 GLN HE21 H 7.562 0.030 2 271 32 32 GLN HE22 H 7.020 0.030 2 272 32 32 GLN HG2 H 2.784 0.030 1 273 32 32 GLN HG3 H 2.784 0.030 1 274 32 32 GLN C C 177.410 0.300 1 275 32 32 GLN CA C 59.343 0.300 1 276 32 32 GLN CB C 28.331 0.300 1 277 32 32 GLN CG C 35.460 0.300 1 278 32 32 GLN N N 115.359 0.300 1 279 32 32 GLN NE2 N 112.772 0.300 1 280 33 33 ARG H H 7.077 0.030 1 281 33 33 ARG HA H 4.108 0.030 1 282 33 33 ARG HB2 H 1.851 0.030 2 283 33 33 ARG HB3 H 1.758 0.030 2 284 33 33 ARG HD2 H 3.164 0.030 1 285 33 33 ARG HD3 H 3.164 0.030 1 286 33 33 ARG HG2 H 1.655 0.030 2 287 33 33 ARG HG3 H 1.812 0.030 2 288 33 33 ARG C C 178.553 0.300 1 289 33 33 ARG CA C 58.250 0.300 1 290 33 33 ARG CB C 29.969 0.300 1 291 33 33 ARG CD C 43.347 0.300 1 292 33 33 ARG CG C 27.318 0.300 1 293 33 33 ARG N N 117.106 0.300 1 294 34 34 ILE H H 7.777 0.030 1 295 34 34 ILE HA H 3.940 0.030 1 296 34 34 ILE HB H 1.643 0.030 1 297 34 34 ILE HD1 H 0.681 0.030 1 298 34 34 ILE HG12 H 0.906 0.030 2 299 34 34 ILE HG13 H 0.761 0.030 2 300 34 34 ILE HG2 H 0.552 0.030 1 301 34 34 ILE C C 177.451 0.300 1 302 34 34 ILE CA C 63.117 0.300 1 303 34 34 ILE CB C 37.637 0.300 1 304 34 34 ILE CD1 C 14.319 0.300 1 305 34 34 ILE CG1 C 26.738 0.300 1 306 34 34 ILE CG2 C 16.427 0.300 1 307 34 34 ILE N N 116.459 0.300 1 308 35 35 HIS H H 7.182 0.030 1 309 35 35 HIS HA H 4.828 0.030 1 310 35 35 HIS HB2 H 3.330 0.030 2 311 35 35 HIS HB3 H 3.209 0.030 2 312 35 35 HIS HD2 H 6.752 0.030 1 313 35 35 HIS HE1 H 8.034 0.030 1 314 35 35 HIS C C 175.851 0.300 1 315 35 35 HIS CA C 55.280 0.300 1 316 35 35 HIS CB C 28.512 0.300 1 317 35 35 HIS CD2 C 127.739 0.300 1 318 35 35 HIS CE1 C 140.015 0.300 1 319 35 35 HIS N N 117.602 0.300 1 320 36 36 THR H H 7.747 0.030 1 321 36 36 THR HA H 4.331 0.030 1 322 36 36 THR HB H 4.304 0.030 1 323 36 36 THR HG2 H 1.211 0.030 1 324 36 36 THR C C 175.469 0.300 1 325 36 36 THR CA C 62.467 0.300 1 326 36 36 THR CB C 69.824 0.300 1 327 36 36 THR CG2 C 21.546 0.300 1 328 36 36 THR N N 111.513 0.300 1 329 37 37 GLY H H 8.182 0.030 1 330 37 37 GLY HA2 H 4.013 0.030 2 331 37 37 GLY HA3 H 3.918 0.030 2 332 37 37 GLY C C 174.052 0.300 1 333 37 37 GLY CA C 45.367 0.300 1 334 37 37 GLY N N 110.535 0.300 1 335 38 38 GLU H H 8.052 0.030 1 336 38 38 GLU HA H 4.218 0.030 1 337 38 38 GLU HB2 H 1.951 0.030 2 338 38 38 GLU HB3 H 1.866 0.030 2 339 38 38 GLU HG2 H 2.236 0.030 2 340 38 38 GLU HG3 H 2.178 0.030 2 341 38 38 GLU CA C 56.434 0.300 1 342 38 38 GLU CB C 30.328 0.300 1 343 38 38 GLU CG C 36.211 0.300 1 344 38 38 GLU N N 120.571 0.300 1 345 39 39 LYS H H 8.389 0.030 1 346 39 39 LYS HA H 4.578 0.030 1 347 39 39 LYS HB2 H 1.787 0.030 2 348 39 39 LYS HB3 H 1.699 0.030 2 349 39 39 LYS HD2 H 1.658 0.030 1 350 39 39 LYS HD3 H 1.658 0.030 1 351 39 39 LYS HE2 H 2.974 0.030 1 352 39 39 LYS HE3 H 2.974 0.030 1 353 39 39 LYS HG2 H 1.441 0.030 1 354 39 39 LYS HG3 H 1.441 0.030 1 355 39 39 LYS C C 173.753 0.300 1 356 39 39 LYS CA C 54.091 0.300 1 357 39 39 LYS CB C 32.446 0.300 1 358 39 39 LYS CD C 29.113 0.300 1 359 39 39 LYS CE C 42.156 0.300 1 360 39 39 LYS CG C 24.454 0.300 1 361 39 39 LYS N N 123.889 0.300 1 362 40 40 PRO HA H 4.438 0.030 1 363 40 40 PRO HB2 H 2.274 0.030 2 364 40 40 PRO HB3 H 1.916 0.030 2 365 40 40 PRO HD2 H 3.789 0.030 2 366 40 40 PRO HD3 H 3.618 0.030 2 367 40 40 PRO HG2 H 2.004 0.030 2 368 40 40 PRO HG3 H 1.973 0.030 2 369 40 40 PRO CA C 63.206 0.300 1 370 40 40 PRO CB C 32.136 0.300 1 371 40 40 PRO CD C 50.646 0.300 1 372 40 40 PRO CG C 27.368 0.300 1 373 41 41 SER H H 8.460 0.030 1 374 41 41 SER N N 116.511 0.300 1 375 42 42 GLY HA2 H 4.109 0.030 1 376 42 42 GLY HA3 H 4.109 0.030 1 377 42 42 GLY CA C 44.689 0.300 1 378 43 43 PRO HA H 4.440 0.030 1 379 43 43 PRO HB2 H 2.277 0.030 2 380 43 43 PRO HB3 H 1.917 0.030 2 381 43 43 PRO HD2 H 3.603 0.030 1 382 43 43 PRO HD3 H 3.603 0.030 1 383 43 43 PRO HG2 H 1.989 0.030 1 384 43 43 PRO HG3 H 1.989 0.030 1 385 43 43 PRO CA C 63.206 0.300 1 386 43 43 PRO CB C 32.100 0.300 1 387 43 43 PRO CD C 49.766 0.300 1 388 43 43 PRO CG C 27.194 0.300 1 stop_ save_