data_11395 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 11th C2H2 type zinc finger domain of Zinc finger protein 224 ; _BMRB_accession_number 11395 _BMRB_flat_file_name bmr11395.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _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 Masuda K. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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" 152 "15N chemical shifts" 34 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the 11th C2H2 type zinc finger domain of Zinc finger protein 224 ; _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 Masuda K. . . 2 Suzuki S. . . 3 Muto Y. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Terada T. . . 7 Shirouzu M. . . 8 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 224' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zinc finger 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 'zinc finger domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKLYNCKECGK SFSRAPCLLKHERLHSGEKP 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 LEU 13 TYR 14 ASN 15 CYS 16 LYS 17 GLU 18 CYS 19 GLY 20 LYS 21 SER 22 PHE 23 SER 24 ARG 25 ALA 26 PRO 27 CYS 28 LEU 29 LEU 30 LYS 31 HIS 32 GLU 33 ARG 34 LEU 35 HIS 36 SER 37 GLY 38 GLU 39 LYS 40 PRO 41 SER 42 GLY 43 PRO 44 SER 45 SER 46 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2EQ4 "Solution Structure Of The 11th C2h2 Type Zinc Finger Domain Of Zinc Finger Protein 224" 100.00 46 100.00 100.00 4.97e-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 no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 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' 'E. coli' Escherichia coli . Plasmid p061225-41 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.11mM 13C-15N {PROTEIN;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O {;0.05mM} ZnCl2, 1mM IDA ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.11 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060702 loop_ _Vendor _Address _Electronic_address 'Delaglio F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 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_ _Software_label $XWINNMR $NMRPipe $NMRView $Kujira $CYANA stop_ 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 'zinc finger 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 7 7 GLY HA2 H 3.917 0.030 2 2 7 7 GLY C C 174.556 0.300 1 3 7 7 GLY CA C 45.332 0.300 1 4 8 8 THR H H 8.140 0.030 1 5 8 8 THR HA H 4.364 0.030 1 6 8 8 THR HB H 4.293 0.030 1 7 8 8 THR HG2 H 1.182 0.030 1 8 8 8 THR C C 175.268 0.300 1 9 8 8 THR CA C 61.889 0.300 1 10 8 8 THR CB C 69.738 0.300 1 11 8 8 THR CG2 C 21.513 0.300 1 12 8 8 THR N N 112.753 0.300 1 13 9 9 GLY H H 8.434 0.030 1 14 9 9 GLY HA2 H 4.029 0.030 2 15 9 9 GLY HA3 H 3.974 0.030 2 16 9 9 GLY C C 174.017 0.300 1 17 9 9 GLY CA C 45.388 0.300 1 18 9 9 GLY N N 111.103 0.300 1 19 10 10 GLU H H 8.191 0.030 1 20 10 10 GLU HA H 4.237 0.030 1 21 10 10 GLU HB2 H 1.984 0.030 2 22 10 10 GLU HB3 H 1.880 0.030 2 23 10 10 GLU HG2 H 2.256 0.030 2 24 10 10 GLU HG3 H 2.198 0.030 2 25 10 10 GLU C C 176.190 0.300 1 26 10 10 GLU CA C 56.441 0.300 1 27 10 10 GLU CB C 30.516 0.300 1 28 10 10 GLU CG C 36.285 0.300 1 29 10 10 GLU N N 120.762 0.300 1 30 11 11 LYS H H 8.367 0.030 1 31 11 11 LYS HA H 4.204 0.030 1 32 11 11 LYS HB2 H 1.624 0.030 1 33 11 11 LYS HB3 H 1.624 0.030 1 34 11 11 LYS HD2 H 1.560 0.030 1 35 11 11 LYS HD3 H 1.560 0.030 1 36 11 11 LYS HE2 H 2.878 0.030 1 37 11 11 LYS HE3 H 2.878 0.030 1 38 11 11 LYS HG2 H 1.200 0.030 2 39 11 11 LYS HG3 H 1.256 0.030 2 40 11 11 LYS C C 175.166 0.300 1 41 11 11 LYS CA C 55.920 0.300 1 42 11 11 LYS CB C 32.834 0.300 1 43 11 11 LYS CD C 28.986 0.300 1 44 11 11 LYS CE C 42.069 0.300 1 45 11 11 LYS CG C 24.658 0.300 1 46 11 11 LYS N N 123.074 0.300 1 47 12 12 LEU H H 7.833 0.030 1 48 12 12 LEU HA H 4.380 0.030 1 49 12 12 LEU HB2 H 1.397 0.030 2 50 12 12 LEU HB3 H 1.229 0.030 2 51 12 12 LEU HD1 H 0.716 0.030 1 52 12 12 LEU HD2 H 0.789 0.030 1 53 12 12 LEU HG H 1.403 0.030 1 54 12 12 LEU C C 175.993 0.300 1 55 12 12 LEU CA C 54.292 0.300 1 56 12 12 LEU CB C 43.825 0.300 1 57 12 12 LEU CD1 C 23.239 0.300 2 58 12 12 LEU CD2 C 25.193 0.300 2 59 12 12 LEU CG C 26.854 0.300 1 60 12 12 LEU N N 122.221 0.300 1 61 13 13 TYR H H 8.485 0.030 1 62 13 13 TYR HA H 4.578 0.030 1 63 13 13 TYR HB2 H 2.960 0.030 2 64 13 13 TYR HB3 H 2.756 0.030 2 65 13 13 TYR HD1 H 6.970 0.030 1 66 13 13 TYR HD2 H 6.970 0.030 1 67 13 13 TYR HE1 H 6.798 0.030 1 68 13 13 TYR HE2 H 6.798 0.030 1 69 13 13 TYR C C 174.650 0.300 1 70 13 13 TYR CA C 57.069 0.300 1 71 13 13 TYR CB C 39.166 0.300 1 72 13 13 TYR CD1 C 133.210 0.300 1 73 13 13 TYR CD2 C 133.210 0.300 1 74 13 13 TYR CE1 C 118.019 0.300 1 75 13 13 TYR CE2 C 118.019 0.300 1 76 13 13 TYR N N 120.403 0.300 1 77 14 14 ASN H H 8.627 0.030 1 78 14 14 ASN HA H 5.420 0.030 1 79 14 14 ASN HB2 H 2.493 0.030 2 80 14 14 ASN HB3 H 2.381 0.030 2 81 14 14 ASN HD21 H 7.239 0.030 2 82 14 14 ASN HD22 H 6.510 0.030 2 83 14 14 ASN C C 173.968 0.300 1 84 14 14 ASN CA C 52.225 0.300 1 85 14 14 ASN CB C 41.272 0.300 1 86 14 14 ASN N N 121.136 0.300 1 87 14 14 ASN ND2 N 112.023 0.300 1 88 15 15 CYS H H 9.173 0.030 1 89 15 15 CYS HA H 4.642 0.030 1 90 15 15 CYS HB2 H 3.345 0.030 2 91 15 15 CYS HB3 H 2.855 0.030 2 92 15 15 CYS C C 177.638 0.300 1 93 15 15 CYS CA C 59.431 0.300 1 94 15 15 CYS CB C 29.744 0.300 1 95 15 15 CYS N N 125.167 0.300 1 96 16 16 LYS H H 9.396 0.030 1 97 16 16 LYS HA H 4.129 0.030 1 98 16 16 LYS HB2 H 1.924 0.030 1 99 16 16 LYS HB3 H 1.924 0.030 1 100 16 16 LYS HD2 H 1.655 0.030 1 101 16 16 LYS HD3 H 1.655 0.030 1 102 16 16 LYS HE2 H 3.042 0.030 1 103 16 16 LYS HE3 H 3.042 0.030 1 104 16 16 LYS HG2 H 1.549 0.030 1 105 16 16 LYS HG3 H 1.549 0.030 1 106 16 16 LYS C C 176.716 0.300 1 107 16 16 LYS CA C 58.578 0.300 1 108 16 16 LYS CB C 32.202 0.300 1 109 16 16 LYS CD C 29.297 0.300 1 110 16 16 LYS CE C 42.069 0.300 1 111 16 16 LYS CG C 24.625 0.300 1 112 16 16 LYS N N 113.191 0.300 1 113 17 17 GLU H H 8.780 0.030 1 114 17 17 GLU HA H 4.246 0.030 1 115 17 17 GLU HB2 H 1.341 0.030 1 116 17 17 GLU HB3 H 1.341 0.030 1 117 17 17 GLU HG2 H 1.841 0.030 2 118 17 17 GLU HG3 H 1.769 0.030 2 119 17 17 GLU C C 177.175 0.300 1 120 17 17 GLU CA C 57.947 0.300 1 121 17 17 GLU CB C 29.744 0.300 1 122 17 17 GLU CG C 35.336 0.300 1 123 17 17 GLU N N 120.932 0.300 1 124 18 18 CYS H H 8.207 0.030 1 125 18 18 CYS HA H 5.158 0.030 1 126 18 18 CYS HB2 H 3.429 0.030 2 127 18 18 CYS HB3 H 2.817 0.030 2 128 18 18 CYS C C 176.407 0.300 1 129 18 18 CYS CA C 58.459 0.300 1 130 18 18 CYS CB C 32.448 0.300 1 131 18 18 CYS N N 115.764 0.300 1 132 19 19 GLY H H 8.045 0.030 1 133 19 19 GLY HA2 H 3.848 0.030 2 134 19 19 GLY HA3 H 4.208 0.030 2 135 19 19 GLY C C 173.860 0.300 1 136 19 19 GLY CA C 46.187 0.300 1 137 19 19 GLY N N 112.907 0.300 1 138 20 20 LYS H H 7.989 0.030 1 139 20 20 LYS HA H 3.969 0.030 1 140 20 20 LYS HB2 H 1.509 0.030 2 141 20 20 LYS HB3 H 1.200 0.030 2 142 20 20 LYS HD2 H 1.499 0.030 2 143 20 20 LYS HD3 H 1.378 0.030 2 144 20 20 LYS HE2 H 2.838 0.030 2 145 20 20 LYS HE3 H 2.955 0.030 2 146 20 20 LYS HG2 H 1.357 0.030 2 147 20 20 LYS HG3 H 1.023 0.030 2 148 20 20 LYS C C 174.543 0.300 1 149 20 20 LYS CA C 58.191 0.300 1 150 20 20 LYS CB C 33.678 0.300 1 151 20 20 LYS CD C 29.249 0.300 1 152 20 20 LYS CE C 42.116 0.300 1 153 20 20 LYS CG C 25.984 0.300 1 154 20 20 LYS N N 123.481 0.300 1 155 21 21 SER H H 7.822 0.030 1 156 21 21 SER HA H 5.218 0.030 1 157 21 21 SER HB2 H 3.643 0.030 2 158 21 21 SER HB3 H 3.526 0.030 2 159 21 21 SER C C 173.272 0.300 1 160 21 21 SER CA C 57.225 0.300 1 161 21 21 SER CB C 65.825 0.300 1 162 21 21 SER N N 116.691 0.300 1 163 22 22 PHE H H 8.764 0.030 1 164 22 22 PHE HA H 4.702 0.030 1 165 22 22 PHE HB2 H 2.689 0.030 2 166 22 22 PHE HB3 H 3.303 0.030 2 167 22 22 PHE HD1 H 7.233 0.030 1 168 22 22 PHE HD2 H 7.233 0.030 1 169 22 22 PHE HE1 H 6.820 0.030 1 170 22 22 PHE HE2 H 6.820 0.030 1 171 22 22 PHE HZ H 6.330 0.030 1 172 22 22 PHE C C 174.303 0.300 1 173 22 22 PHE CA C 54.239 0.300 1 174 22 22 PHE CB C 43.594 0.300 1 175 22 22 PHE CD1 C 132.460 0.300 1 176 22 22 PHE CD2 C 132.460 0.300 1 177 22 22 PHE CE1 C 130.561 0.300 1 178 22 22 PHE CE2 C 130.561 0.300 1 179 22 22 PHE CZ C 128.762 0.300 1 180 22 22 PHE N N 119.491 0.300 1 181 23 23 SER H H 7.468 0.030 1 182 23 23 SER HA H 4.829 0.030 1 183 23 23 SER HB2 H 4.079 0.030 2 184 23 23 SER HB3 H 3.957 0.030 2 185 23 23 SER CA C 59.523 0.300 1 186 23 23 SER CB C 64.296 0.300 1 187 23 23 SER N N 117.652 0.300 1 188 24 24 ARG H H 7.308 0.030 1 189 24 24 ARG HA H 4.091 0.030 1 190 24 24 ARG HB2 H 1.696 0.030 2 191 24 24 ARG HB3 H 1.821 0.030 2 192 24 24 ARG HD2 H 2.986 0.030 1 193 24 24 ARG HD3 H 2.986 0.030 1 194 24 24 ARG HG2 H 1.450 0.030 1 195 24 24 ARG HG3 H 1.450 0.030 1 196 24 24 ARG C C 175.483 0.300 1 197 24 24 ARG CB C 27.413 0.300 1 198 24 24 ARG CD C 42.169 0.300 1 199 24 24 ARG CG C 24.476 0.300 1 200 24 24 ARG N N 117.610 0.300 1 201 25 25 ALA H H 8.629 0.030 1 202 25 25 ALA HA H 3.333 0.030 1 203 25 25 ALA HB H 1.059 0.030 1 204 25 25 ALA C C 177.224 0.300 1 205 25 25 ALA CA C 56.027 0.300 1 206 25 25 ALA CB C 15.438 0.300 1 207 25 25 ALA N N 127.194 0.300 1 208 26 26 PRO HA H 4.161 0.030 1 209 26 26 PRO HB2 H 2.334 0.030 2 210 26 26 PRO HB3 H 1.821 0.030 2 211 26 26 PRO HD2 H 3.679 0.030 2 212 26 26 PRO HD3 H 3.564 0.030 2 213 26 26 PRO HG2 H 2.024 0.030 2 214 26 26 PRO HG3 H 1.977 0.030 2 215 26 26 PRO CA C 65.887 0.300 1 216 26 26 PRO CB C 30.929 0.300 1 217 26 26 PRO CD C 50.710 0.300 1 218 26 26 PRO CG C 27.372 0.300 1 219 27 27 CYS H H 6.697 0.030 1 220 27 27 CYS HA H 3.893 0.030 1 221 27 27 CYS HB2 H 3.043 0.030 2 222 27 27 CYS HB3 H 2.978 0.030 2 223 27 27 CYS C C 177.671 0.300 1 224 27 27 CYS CA C 62.596 0.300 1 225 27 27 CYS CB C 27.964 0.300 1 226 27 27 CYS N N 115.901 0.300 1 227 28 28 LEU H H 6.894 0.030 1 228 28 28 LEU HA H 3.155 0.030 1 229 28 28 LEU HB2 H 1.851 0.030 2 230 28 28 LEU HB3 H 1.191 0.030 2 231 28 28 LEU HD1 H 0.976 0.030 1 232 28 28 LEU HD2 H 0.778 0.030 1 233 28 28 LEU HG H 1.496 0.030 1 234 28 28 LEU C C 177.344 0.300 1 235 28 28 LEU CA C 57.563 0.300 1 236 28 28 LEU CB C 40.169 0.300 1 237 28 28 LEU CD1 C 22.729 0.300 2 238 28 28 LEU CG C 27.367 0.300 1 239 28 28 LEU N N 121.399 0.300 1 240 29 29 LEU H H 7.705 0.030 1 241 29 29 LEU HA H 4.023 0.030 1 242 29 29 LEU HB2 H 1.560 0.030 1 243 29 29 LEU HB3 H 1.560 0.030 1 244 29 29 LEU HD1 H 0.750 0.030 1 245 29 29 LEU HD2 H 0.827 0.030 1 246 29 29 LEU HG H 0.971 0.030 1 247 29 29 LEU C C 179.488 0.300 1 248 29 29 LEU CA C 58.285 0.300 1 249 29 29 LEU CB C 41.574 0.300 1 250 29 29 LEU CD1 C 22.949 0.300 2 251 29 29 LEU CD2 C 23.897 0.300 2 252 29 29 LEU CG C 26.408 0.300 1 253 29 29 LEU N N 119.018 0.300 1 254 30 30 LYS H H 7.409 0.030 1 255 30 30 LYS HA H 3.866 0.030 1 256 30 30 LYS HB2 H 1.761 0.030 1 257 30 30 LYS HB3 H 1.761 0.030 1 258 30 30 LYS HD2 H 1.650 0.030 1 259 30 30 LYS HD3 H 1.650 0.030 1 260 30 30 LYS HE2 H 2.929 0.030 2 261 30 30 LYS HE3 H 2.887 0.030 2 262 30 30 LYS HG2 H 1.481 0.030 2 263 30 30 LYS HG3 H 1.351 0.030 2 264 30 30 LYS C C 178.618 0.300 1 265 30 30 LYS CA C 59.331 0.300 1 266 30 30 LYS CB C 32.483 0.300 1 267 30 30 LYS CD C 29.399 0.300 1 268 30 30 LYS CE C 42.098 0.300 1 269 30 30 LYS CG C 25.109 0.300 1 270 30 30 LYS N N 117.208 0.300 1 271 31 31 HIS H H 7.333 0.030 1 272 31 31 HIS HA H 4.110 0.030 1 273 31 31 HIS HB2 H 3.119 0.030 2 274 31 31 HIS HB3 H 2.876 0.030 2 275 31 31 HIS HD2 H 7.042 0.030 1 276 31 31 HIS HE1 H 7.990 0.030 1 277 31 31 HIS C C 176.829 0.300 1 278 31 31 HIS CA C 59.473 0.300 1 279 31 31 HIS CB C 28.667 0.300 1 280 31 31 HIS CD2 C 127.468 0.300 1 281 31 31 HIS CE1 C 139.278 0.300 1 282 31 31 HIS N N 118.879 0.300 1 283 32 32 GLU H H 8.793 0.030 1 284 32 32 GLU HA H 3.782 0.030 1 285 32 32 GLU HB2 H 2.249 0.030 2 286 32 32 GLU HB3 H 2.093 0.030 2 287 32 32 GLU HG2 H 2.746 0.030 2 288 32 32 GLU HG3 H 2.647 0.030 2 289 32 32 GLU C C 179.438 0.300 1 290 32 32 GLU CA C 60.262 0.300 1 291 32 32 GLU CB C 29.879 0.300 1 292 32 32 GLU CG C 38.030 0.300 1 293 32 32 GLU N N 117.940 0.300 1 294 33 33 ARG H H 7.319 0.030 1 295 33 33 ARG HA H 4.113 0.030 1 296 33 33 ARG HB2 H 1.886 0.030 2 297 33 33 ARG HB3 H 1.826 0.030 2 298 33 33 ARG HD2 H 3.165 0.030 1 299 33 33 ARG HD3 H 3.165 0.030 1 300 33 33 ARG HG2 H 1.603 0.030 1 301 33 33 ARG HG3 H 1.603 0.030 1 302 33 33 ARG C C 178.445 0.300 1 303 33 33 ARG CA C 58.313 0.300 1 304 33 33 ARG CB C 29.746 0.300 1 305 33 33 ARG CD C 43.393 0.300 1 306 33 33 ARG CG C 27.291 0.300 1 307 33 33 ARG N N 117.824 0.300 1 308 34 34 LEU H H 7.749 0.030 1 309 34 34 LEU HA H 4.031 0.030 1 310 34 34 LEU HB2 H 1.383 0.030 2 311 34 34 LEU HB3 H 1.192 0.030 2 312 34 34 LEU HD1 H 0.796 0.030 1 313 34 34 LEU HD2 H 0.839 0.030 1 314 34 34 LEU HG H 1.602 0.030 1 315 34 34 LEU C C 178.993 0.300 1 316 34 34 LEU CA C 56.659 0.300 1 317 34 34 LEU CB C 41.191 0.300 1 318 34 34 LEU CD1 C 25.071 0.300 2 319 34 34 LEU CD2 C 24.531 0.300 2 320 34 34 LEU CG C 26.738 0.300 1 321 34 34 LEU N N 118.949 0.300 1 322 35 35 HIS H H 7.174 0.030 1 323 35 35 HIS HA H 4.696 0.030 1 324 35 35 HIS HB2 H 3.293 0.030 2 325 35 35 HIS HB3 H 3.192 0.030 2 326 35 35 HIS HD2 H 6.733 0.030 1 327 35 35 HIS HE1 H 8.026 0.030 1 328 35 35 HIS C C 175.702 0.300 1 329 35 35 HIS CA C 55.963 0.300 1 330 35 35 HIS CB C 28.554 0.300 1 331 35 35 HIS CD2 C 127.536 0.300 1 332 35 35 HIS CE1 C 139.870 0.300 1 333 35 35 HIS N N 115.147 0.300 1 334 36 36 SER H H 7.781 0.030 1 335 36 36 SER HA H 4.436 0.030 1 336 36 36 SER HB2 H 3.915 0.030 2 337 36 36 SER HB3 H 3.843 0.030 2 338 36 36 SER C C 175.362 0.300 1 339 36 36 SER CA C 59.076 0.300 1 340 36 36 SER CB C 63.893 0.300 1 341 36 36 SER N N 114.515 0.300 1 342 37 37 GLY H H 8.237 0.030 1 343 37 37 GLY HA2 H 3.976 0.030 1 344 37 37 GLY HA3 H 3.976 0.030 1 345 37 37 GLY C C 174.038 0.300 1 346 37 37 GLY CA C 45.376 0.300 1 347 37 37 GLY N N 110.609 0.300 1 348 38 38 GLU H H 8.061 0.030 1 349 38 38 GLU HA H 4.240 0.030 1 350 38 38 GLU HB2 H 1.887 0.030 1 351 38 38 GLU HB3 H 1.887 0.030 1 352 38 38 GLU HG2 H 2.225 0.030 1 353 38 38 GLU HG3 H 2.225 0.030 1 354 38 38 GLU C C 176.229 0.300 1 355 38 38 GLU CA C 56.379 0.300 1 356 38 38 GLU CB C 30.445 0.300 1 357 38 38 GLU CG C 36.138 0.300 1 358 38 38 GLU N N 120.484 0.300 1 359 39 39 LYS H H 8.359 0.030 1 360 39 39 LYS HA H 4.599 0.030 1 361 39 39 LYS HB2 H 1.800 0.030 2 362 39 39 LYS HB3 H 1.705 0.030 2 363 39 39 LYS C C 174.527 0.300 1 364 39 39 LYS CA C 54.105 0.300 1 365 39 39 LYS CB C 32.601 0.300 1 366 39 39 LYS N N 123.575 0.300 1 367 40 40 PRO HA H 4.452 0.030 1 368 40 40 PRO HB2 H 2.288 0.030 2 369 40 40 PRO HB3 H 1.928 0.030 2 370 40 40 PRO HD2 H 3.803 0.030 2 371 40 40 PRO HD3 H 3.625 0.030 2 372 40 40 PRO HG2 H 2.004 0.030 1 373 40 40 PRO HG3 H 2.004 0.030 1 374 40 40 PRO C C 176.982 0.300 1 375 40 40 PRO CA C 63.227 0.300 1 376 40 40 PRO CB C 32.136 0.300 1 377 40 40 PRO CD C 50.676 0.300 1 378 40 40 PRO CG C 27.402 0.300 1 379 41 41 SER H H 8.453 0.030 1 380 41 41 SER HA H 4.481 0.030 1 381 41 41 SER HB2 H 3.861 0.030 2 382 41 41 SER HB3 H 3.828 0.030 2 383 41 41 SER C C 174.653 0.300 1 384 41 41 SER CA C 58.563 0.300 1 385 41 41 SER CB C 64.093 0.300 1 386 41 41 SER N N 116.498 0.300 1 387 42 42 GLY H H 8.202 0.030 1 388 42 42 GLY C C 171.710 0.300 1 389 42 42 GLY CA C 43.442 0.300 1 390 42 42 GLY N N 110.572 0.300 1 391 43 43 PRO HA H 4.164 0.030 1 392 43 43 PRO HB2 H 2.331 0.030 1 393 43 43 PRO HB3 H 2.331 0.030 1 394 43 43 PRO HD2 H 3.611 0.030 1 395 43 43 PRO HD3 H 3.611 0.030 1 396 43 43 PRO HG2 H 1.957 0.030 2 397 43 43 PRO HG3 H 2.024 0.030 2 398 43 43 PRO CB C 33.777 0.300 1 399 43 43 PRO CD C 49.761 0.300 1 400 43 43 PRO CG C 28.413 0.300 1 stop_ save_