data_11394 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 17th C2H2 type zinc finger domain of Zinc finger protein 347 ; _BMRB_accession_number 11394 _BMRB_flat_file_name bmr11394.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 Futami 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" 178 "13C chemical shifts" 154 "15N chemical shifts" 31 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 17th C2H2 type zinc finger domain of 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 Futami 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 347' _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 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYECNQCGK AFSVRSSLTTHQAIHTGKKP 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 GLU 15 CYS 16 ASN 17 GLN 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 SER 24 VAL 25 ARG 26 SER 27 SER 28 LEU 29 THR 30 THR 31 HIS 32 GLN 33 ALA 34 ILE 35 HIS 36 THR 37 GLY 38 LYS 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 2EQ3 "Solution Structure Of The 17th C2h2 Type Zinc Finger Domain Of Zinc Finger Protein 347" 100.00 46 100.00 100.00 1.26e-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 P070115-19 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 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 . mM . 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_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-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 15N-separated NOESY' '3D 13C-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 C C 174.454 0.300 1 2 7 7 GLY CA C 45.527 0.300 1 3 8 8 THR H H 8.124 0.030 1 4 8 8 THR HA H 4.350 0.030 1 5 8 8 THR HB H 4.282 0.030 1 6 8 8 THR HG2 H 1.189 0.030 1 7 8 8 THR C C 175.197 0.300 1 8 8 8 THR CA C 61.952 0.300 1 9 8 8 THR CB C 69.874 0.300 1 10 8 8 THR CG2 C 21.490 0.300 1 11 8 8 THR N N 112.725 0.300 1 12 9 9 GLY H H 8.425 0.030 1 13 9 9 GLY HA2 H 3.925 0.030 2 14 9 9 GLY C C 174.082 0.300 1 15 9 9 GLY CA C 45.379 0.300 1 16 9 9 GLY N N 110.868 0.300 1 17 10 10 GLU H H 8.201 0.030 1 18 10 10 GLU HA H 4.162 0.030 1 19 10 10 GLU HB2 H 1.975 0.030 2 20 10 10 GLU HB3 H 1.876 0.030 2 21 10 10 GLU HG2 H 2.227 0.030 2 22 10 10 GLU HG3 H 2.197 0.030 2 23 10 10 GLU C C 176.483 0.300 1 24 10 10 GLU CA C 56.941 0.300 1 25 10 10 GLU CB C 30.330 0.300 1 26 10 10 GLU CG C 36.212 0.300 1 27 10 10 GLU N N 120.195 0.300 1 28 11 11 LYS H H 8.290 0.030 1 29 11 11 LYS HA H 4.459 0.030 1 30 11 11 LYS HB2 H 1.547 0.030 2 31 11 11 LYS HB3 H 1.403 0.030 2 32 11 11 LYS HG2 H 1.172 0.030 2 33 11 11 LYS HG3 H 1.283 0.030 2 34 11 11 LYS C C 173.720 0.300 1 35 11 11 LYS CA C 53.766 0.300 1 36 11 11 LYS CB C 33.055 0.300 1 37 11 11 LYS CD C 29.158 0.300 1 38 11 11 LYS CE C 42.204 0.300 1 39 11 11 LYS CG C 24.675 0.300 1 40 11 11 LYS N N 121.678 0.300 1 41 12 12 PRO HA H 4.244 0.030 1 42 12 12 PRO HB2 H 1.988 0.030 2 43 12 12 PRO HB3 H 1.217 0.030 2 44 12 12 PRO HD2 H 3.563 0.030 2 45 12 12 PRO HG2 H 1.749 0.030 2 46 12 12 PRO HG3 H 1.495 0.030 2 47 12 12 PRO C C 176.375 0.300 1 48 12 12 PRO CA C 63.378 0.300 1 49 12 12 PRO CB C 32.219 0.300 1 50 12 12 PRO CD C 50.237 0.300 1 51 12 12 PRO CG C 26.579 0.300 1 52 13 13 TYR H H 7.861 0.030 1 53 13 13 TYR HA H 4.651 0.030 1 54 13 13 TYR HB2 H 2.978 0.030 2 55 13 13 TYR HB3 H 2.829 0.030 2 56 13 13 TYR HD1 H 6.963 0.030 1 57 13 13 TYR HD2 H 6.963 0.030 1 58 13 13 TYR HE1 H 6.867 0.030 1 59 13 13 TYR HE2 H 6.867 0.030 1 60 13 13 TYR C C 174.548 0.300 1 61 13 13 TYR CA C 57.144 0.300 1 62 13 13 TYR CB C 38.240 0.300 1 63 13 13 TYR CD1 C 133.073 0.300 1 64 13 13 TYR CD2 C 133.073 0.300 1 65 13 13 TYR CE1 C 118.424 0.300 1 66 13 13 TYR CE2 C 118.424 0.300 1 67 13 13 TYR N N 118.382 0.300 1 68 14 14 GLU H H 8.541 0.030 1 69 14 14 GLU HA H 4.865 0.030 1 70 14 14 GLU HB2 H 1.823 0.030 1 71 14 14 GLU HB3 H 1.823 0.030 1 72 14 14 GLU C C 175.252 0.300 1 73 14 14 GLU CA C 55.034 0.300 1 74 14 14 GLU CB C 32.804 0.300 1 75 14 14 GLU CG C 36.515 0.300 1 76 14 14 GLU N N 124.342 0.300 1 77 15 15 CYS H H 9.228 0.030 1 78 15 15 CYS HA H 4.525 0.030 1 79 15 15 CYS HB2 H 3.413 0.030 2 80 15 15 CYS HB3 H 2.846 0.030 2 81 15 15 CYS C C 176.819 0.300 1 82 15 15 CYS CA C 59.590 0.300 1 83 15 15 CYS CB C 29.576 0.300 1 84 15 15 CYS N N 126.384 0.300 1 85 16 16 ASN HA H 4.579 0.030 1 86 16 16 ASN HB2 H 2.994 0.030 2 87 16 16 ASN HB3 H 2.910 0.030 2 88 16 16 ASN C C 175.305 0.300 1 89 16 16 ASN CA C 54.939 0.300 1 90 16 16 ASN CB C 37.981 0.300 1 91 17 17 GLN H H 8.845 0.030 1 92 17 17 GLN HA H 4.266 0.030 1 93 17 17 GLN HB2 H 1.406 0.030 2 94 17 17 GLN HB3 H 1.272 0.030 2 95 17 17 GLN HG2 H 2.086 0.030 2 96 17 17 GLN HG3 H 2.022 0.030 2 97 17 17 GLN C C 176.560 0.300 1 98 17 17 GLN CA C 57.735 0.300 1 99 17 17 GLN CB C 29.131 0.300 1 100 17 17 GLN CG C 34.176 0.300 1 101 17 17 GLN N N 120.209 0.300 1 102 18 18 CYS H H 7.878 0.030 1 103 18 18 CYS HA H 5.125 0.030 1 104 18 18 CYS HB2 H 3.408 0.030 2 105 18 18 CYS HB3 H 2.861 0.030 2 106 18 18 CYS C C 175.971 0.300 1 107 18 18 CYS CA C 58.554 0.300 1 108 18 18 CYS CB C 32.485 0.300 1 109 18 18 CYS N N 115.308 0.300 1 110 19 19 GLY H H 8.185 0.030 1 111 19 19 GLY HA2 H 4.196 0.030 2 112 19 19 GLY HA3 H 3.879 0.030 2 113 19 19 GLY C C 173.764 0.300 1 114 19 19 GLY CA C 46.150 0.300 1 115 19 19 GLY N N 113.034 0.300 1 116 20 20 LYS H H 7.953 0.030 1 117 20 20 LYS HA H 3.925 0.030 1 118 20 20 LYS HB2 H 1.408 0.030 2 119 20 20 LYS HB3 H 1.156 0.030 2 120 20 20 LYS HE2 H 2.962 0.030 2 121 20 20 LYS HE3 H 2.871 0.030 2 122 20 20 LYS HG2 H 1.046 0.030 2 123 20 20 LYS HG3 H 1.320 0.030 2 124 20 20 LYS C C 173.729 0.300 1 125 20 20 LYS CA C 58.117 0.300 1 126 20 20 LYS CB C 33.534 0.300 1 127 20 20 LYS CD C 28.854 0.300 1 128 20 20 LYS CE C 42.128 0.300 1 129 20 20 LYS CG C 26.048 0.300 1 130 20 20 LYS N N 123.033 0.300 1 131 21 21 ALA H H 7.750 0.030 1 132 21 21 ALA HA H 5.119 0.030 1 133 21 21 ALA HB H 1.203 0.030 1 134 21 21 ALA C C 176.213 0.300 1 135 21 21 ALA CA C 50.452 0.300 1 136 21 21 ALA CB C 22.338 0.300 1 137 21 21 ALA N N 124.217 0.300 1 138 22 22 PHE H H 8.649 0.030 1 139 22 22 PHE HB2 H 3.365 0.030 2 140 22 22 PHE HB3 H 2.676 0.030 2 141 22 22 PHE HD1 H 7.220 0.030 1 142 22 22 PHE HD2 H 7.220 0.030 1 143 22 22 PHE HE1 H 6.833 0.030 1 144 22 22 PHE HE2 H 6.833 0.030 1 145 22 22 PHE HZ H 6.305 0.030 1 146 22 22 PHE C C 175.497 0.300 1 147 22 22 PHE CA C 57.222 0.300 1 148 22 22 PHE CB C 43.867 0.300 1 149 22 22 PHE CD1 C 132.438 0.300 1 150 22 22 PHE CD2 C 132.438 0.300 1 151 22 22 PHE CE1 C 130.676 0.300 1 152 22 22 PHE CE2 C 130.676 0.300 1 153 22 22 PHE CZ C 128.768 0.300 1 154 22 22 PHE N N 116.743 0.300 1 155 23 23 SER HA H 4.666 0.030 1 156 23 23 SER HB2 H 4.079 0.030 2 157 23 23 SER C C 173.820 0.300 1 158 23 23 SER CA C 60.457 0.300 1 159 23 23 SER CB C 64.271 0.300 1 160 24 24 VAL H H 7.369 0.030 1 161 24 24 VAL HA H 4.604 0.030 1 162 24 24 VAL HB H 2.177 0.030 1 163 24 24 VAL HG1 H 1.033 0.030 1 164 24 24 VAL HG2 H 0.968 0.030 1 165 24 24 VAL C C 176.242 0.300 1 166 24 24 VAL CA C 60.147 0.300 1 167 24 24 VAL CB C 35.076 0.300 1 168 24 24 VAL CG1 C 22.036 0.300 2 169 24 24 VAL CG2 C 20.203 0.300 2 170 24 24 VAL N N 115.857 0.300 1 171 25 25 ARG H H 8.558 0.030 1 172 25 25 ARG HB2 H 1.497 0.030 2 173 25 25 ARG HB3 H 1.030 0.030 2 174 25 25 ARG HD2 H 2.999 0.030 2 175 25 25 ARG HG2 H 1.157 0.030 2 176 25 25 ARG HG3 H 1.300 0.030 2 177 25 25 ARG C C 178.539 0.300 1 178 25 25 ARG CA C 60.158 0.300 1 179 25 25 ARG CB C 29.252 0.300 1 180 25 25 ARG CD C 43.040 0.300 1 181 25 25 ARG CG C 27.406 0.300 1 182 25 25 ARG N N 128.396 0.300 1 183 26 26 SER HA H 4.076 0.030 1 184 26 26 SER HB2 H 3.814 0.030 2 185 26 26 SER HB3 H 3.880 0.030 2 186 26 26 SER C C 176.974 0.300 1 187 26 26 SER CA C 60.921 0.300 1 188 26 26 SER CB C 61.641 0.300 1 189 27 27 SER H H 7.090 0.030 1 190 27 27 SER HA H 4.201 0.030 1 191 27 27 SER HB2 H 3.982 0.030 2 192 27 27 SER HB3 H 3.857 0.030 2 193 27 27 SER C C 176.050 0.300 1 194 27 27 SER CA C 61.105 0.300 1 195 27 27 SER CB C 62.567 0.300 1 196 27 27 SER N N 117.735 0.300 1 197 28 28 LEU H H 6.938 0.030 1 198 28 28 LEU HA H 3.294 0.030 1 199 28 28 LEU HB2 H 2.099 0.030 2 200 28 28 LEU HB3 H 1.206 0.030 2 201 28 28 LEU HD1 H 1.005 0.030 1 202 28 28 LEU HD2 H 0.942 0.030 1 203 28 28 LEU HG H 1.454 0.030 1 204 28 28 LEU C C 177.603 0.300 1 205 28 28 LEU CA C 57.833 0.300 1 206 28 28 LEU CB C 39.837 0.300 1 207 28 28 LEU CD1 C 22.783 0.300 2 208 28 28 LEU CD2 C 26.406 0.300 2 209 28 28 LEU CG C 27.545 0.300 1 210 28 28 LEU N N 124.121 0.300 1 211 29 29 THR H H 8.271 0.030 1 212 29 29 THR HA H 3.921 0.030 1 213 29 29 THR HB H 4.136 0.030 1 214 29 29 THR HG2 H 1.151 0.030 1 215 29 29 THR C C 177.469 0.300 1 216 29 29 THR CA C 66.433 0.300 1 217 29 29 THR CB C 68.161 0.300 1 218 29 29 THR CG2 C 22.253 0.300 1 219 29 29 THR N N 116.040 0.300 1 220 30 30 THR H H 7.856 0.030 1 221 30 30 THR HA H 3.870 0.030 1 222 30 30 THR HB H 4.017 0.030 1 223 30 30 THR HG2 H 1.187 0.030 1 224 30 30 THR C C 176.331 0.300 1 225 30 30 THR CA C 66.311 0.300 1 226 30 30 THR CB C 68.765 0.300 1 227 30 30 THR CG2 C 22.001 0.300 1 228 30 30 THR N N 117.530 0.300 1 229 31 31 HIS H H 7.433 0.030 1 230 31 31 HIS HA H 4.177 0.030 1 231 31 31 HIS HB2 H 3.193 0.030 2 232 31 31 HIS HB3 H 2.932 0.030 2 233 31 31 HIS HD2 H 6.943 0.030 1 234 31 31 HIS HE1 H 7.998 0.030 1 235 31 31 HIS C C 175.989 0.300 1 236 31 31 HIS CA C 59.334 0.300 1 237 31 31 HIS CB C 28.626 0.300 1 238 31 31 HIS CD2 C 127.126 0.300 1 239 31 31 HIS CE1 C 139.695 0.300 1 240 31 31 HIS N N 121.436 0.300 1 241 32 32 GLN H H 8.360 0.030 1 242 32 32 GLN HA H 3.662 0.030 1 243 32 32 GLN HB2 H 2.306 0.030 2 244 32 32 GLN HB3 H 2.177 0.030 2 245 32 32 GLN HE21 H 7.023 0.030 2 246 32 32 GLN HE22 H 7.532 0.030 2 247 32 32 GLN HG2 H 2.814 0.030 1 248 32 32 GLN HG3 H 2.814 0.030 1 249 32 32 GLN C C 177.216 0.300 1 250 32 32 GLN CA C 59.361 0.300 1 251 32 32 GLN CB C 28.203 0.300 1 252 32 32 GLN CG C 35.523 0.300 1 253 32 32 GLN N N 115.172 0.300 1 254 32 32 GLN NE2 N 112.440 0.300 1 255 33 33 ALA H H 7.065 0.030 1 256 33 33 ALA HA H 4.163 0.030 1 257 33 33 ALA HB H 1.426 0.030 1 258 33 33 ALA C C 179.709 0.300 1 259 33 33 ALA CA C 54.304 0.300 1 260 33 33 ALA CB C 18.363 0.300 1 261 33 33 ALA N N 120.630 0.300 1 262 34 34 ILE H H 7.769 0.030 1 263 34 34 ILE HA H 3.957 0.030 1 264 34 34 ILE HB H 1.677 0.030 1 265 34 34 ILE HD1 H 0.686 0.030 1 266 34 34 ILE HG12 H 0.936 0.030 2 267 34 34 ILE HG13 H 0.779 0.030 2 268 34 34 ILE HG2 H 0.553 0.030 1 269 34 34 ILE C C 177.466 0.300 1 270 34 34 ILE CA C 62.904 0.300 1 271 34 34 ILE CB C 37.753 0.300 1 272 34 34 ILE CD1 C 14.337 0.300 1 273 34 34 ILE CG1 C 26.771 0.300 1 274 34 34 ILE CG2 C 16.468 0.300 1 275 34 34 ILE N N 115.335 0.300 1 276 35 35 HIS H H 7.223 0.030 1 277 35 35 HIS HA H 4.817 0.030 1 278 35 35 HIS HB2 H 3.279 0.030 2 279 35 35 HIS HB3 H 3.211 0.030 2 280 35 35 HIS HD2 H 6.703 0.030 1 281 35 35 HIS HE1 H 8.038 0.030 1 282 35 35 HIS C C 175.637 0.300 1 283 35 35 HIS CA C 55.156 0.300 1 284 35 35 HIS CB C 28.586 0.300 1 285 35 35 HIS CD2 C 127.569 0.300 1 286 35 35 HIS CE1 C 140.114 0.300 1 287 35 35 HIS N N 117.655 0.300 1 288 36 36 THR H H 7.738 0.030 1 289 36 36 THR HA H 4.327 0.030 1 290 36 36 THR HG2 H 1.231 0.030 1 291 36 36 THR C C 175.324 0.300 1 292 36 36 THR CA C 62.538 0.300 1 293 36 36 THR CB C 69.642 0.300 1 294 36 36 THR CG2 C 21.733 0.300 1 295 36 36 THR N N 112.177 0.300 1 296 37 37 GLY H H 8.259 0.030 1 297 37 37 GLY HA2 H 3.961 0.030 1 298 37 37 GLY HA3 H 3.961 0.030 1 299 37 37 GLY C C 173.839 0.300 1 300 37 37 GLY CA C 45.380 0.300 1 301 37 37 GLY N N 110.796 0.300 1 302 38 38 LYS H H 8.057 0.030 1 303 38 38 LYS HA H 4.317 0.030 1 304 38 38 LYS HB2 H 1.764 0.030 2 305 38 38 LYS HB3 H 1.686 0.030 2 306 38 38 LYS HD2 H 1.636 0.030 1 307 38 38 LYS HD3 H 1.636 0.030 1 308 38 38 LYS HE2 H 2.962 0.030 2 309 38 38 LYS HG2 H 1.376 0.030 1 310 38 38 LYS HG3 H 1.376 0.030 1 311 38 38 LYS C C 176.327 0.300 1 312 38 38 LYS CA C 55.967 0.300 1 313 38 38 LYS CB C 33.185 0.300 1 314 38 38 LYS CD C 28.984 0.300 1 315 38 38 LYS CE C 42.256 0.300 1 316 38 38 LYS CG C 24.642 0.300 1 317 38 38 LYS N N 120.899 0.300 1 318 39 39 LYS H H 8.396 0.030 1 319 39 39 LYS HA H 4.563 0.030 1 320 39 39 LYS HB2 H 1.708 0.030 2 321 39 39 LYS HB3 H 1.793 0.030 2 322 39 39 LYS HD2 H 1.661 0.030 1 323 39 39 LYS HD3 H 1.661 0.030 1 324 39 39 LYS HE2 H 2.996 0.030 2 325 39 39 LYS HG2 H 1.453 0.030 1 326 39 39 LYS HG3 H 1.453 0.030 1 327 39 39 LYS C C 174.644 0.300 1 328 39 39 LYS CA C 54.229 0.300 1 329 39 39 LYS CB C 32.508 0.300 1 330 39 39 LYS CD C 29.165 0.300 1 331 39 39 LYS CE C 42.166 0.300 1 332 39 39 LYS CG C 24.529 0.300 1 333 39 39 LYS N N 124.726 0.300 1 334 40 40 PRO HA H 4.438 0.030 1 335 40 40 PRO HB2 H 1.965 0.030 2 336 40 40 PRO HB3 H 2.278 0.030 2 337 40 40 PRO HD2 H 3.822 0.030 2 338 40 40 PRO HD3 H 3.626 0.030 2 339 40 40 PRO HG2 H 1.998 0.030 2 340 40 40 PRO C C 176.931 0.300 1 341 40 40 PRO CA C 63.216 0.300 1 342 40 40 PRO CB C 32.157 0.300 1 343 40 40 PRO CD C 50.715 0.300 1 344 40 40 PRO CG C 27.339 0.300 1 345 41 41 SER H H 8.423 0.030 1 346 41 41 SER HA H 4.480 0.030 1 347 41 41 SER HB2 H 3.865 0.030 2 348 41 41 SER C C 174.551 0.300 1 349 41 41 SER CA C 58.482 0.300 1 350 41 41 SER CB C 63.949 0.300 1 351 41 41 SER N N 116.487 0.300 1 352 42 42 GLY H H 8.204 0.030 1 353 42 42 GLY C C 171.702 0.300 1 354 42 42 GLY CA C 44.827 0.300 1 355 42 42 GLY N N 110.553 0.300 1 356 43 43 PRO HA H 4.454 0.030 1 357 43 43 PRO HB2 H 2.290 0.030 2 358 43 43 PRO HD2 H 3.605 0.030 2 359 43 43 PRO HG2 H 1.990 0.030 2 360 43 43 PRO CA C 63.327 0.300 1 361 43 43 PRO CB C 32.116 0.300 1 362 43 43 PRO CD C 49.771 0.300 1 363 43 43 PRO CG C 26.882 0.300 1 stop_ save_