data_11167 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 508-540) of human Zinc finger protein 347 ; _BMRB_accession_number 11167 _BMRB_flat_file_name bmr11167.str _Entry_type original _Submission_date 2010-04-15 _Accession_date 2010-04-15 _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" 209 "13C chemical shifts" 149 "15N chemical shifts" 33 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C2H2 type zinc finger (region 508-540) 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, UNP residues 508-540' $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 508-540' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 46 _Mol_residue_sequence ; GSSGSSGTGEKPYKCNECGK VFTQNSHLANHQRIHTGVKP 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 VAL 22 PHE 23 THR 24 GLN 25 ASN 26 SER 27 HIS 28 LEU 29 ALA 30 ASN 31 HIS 32 GLN 33 ARG 34 ILE 35 HIS 36 THR 37 GLY 38 VAL 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 2EOE "Solution Structure Of The C2h2 Type Zinc Finger (Region 508- 540) Of Human Zinc Finger Protein 347" 100.00 46 100.00 100.00 1.51e-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 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_name $entity_1 'cell free synthesis' . Escherichia coli . P070115-55 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; about 1.0mM sample {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 0.05mM {ZnCl2;} 1mM {IDA;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' ZnCl2 0.05 mM 'natural abundance' IDA 1 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % '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 20030801 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 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task '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 'zf-C2H2, UNP residues 508-540' _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 HA H 4.342 0.030 1 2 8 8 THR HB H 3.880 0.030 1 3 8 8 THR HG2 H 1.172 0.030 1 4 8 8 THR C C 175.247 0.300 1 5 8 8 THR CA C 61.809 0.300 1 6 8 8 THR CB C 63.885 0.300 1 7 8 8 THR CG2 C 21.543 0.300 1 8 9 9 GLY H H 8.445 0.030 1 9 9 9 GLY HA2 H 3.945 0.030 1 10 9 9 GLY HA3 H 3.945 0.030 1 11 9 9 GLY C C 174.035 0.300 1 12 9 9 GLY CA C 45.282 0.300 1 13 9 9 GLY N N 111.070 0.300 1 14 10 10 GLU H H 8.217 0.030 1 15 10 10 GLU HA H 4.225 0.030 1 16 10 10 GLU HB2 H 1.980 0.030 2 17 10 10 GLU HB3 H 1.867 0.030 2 18 10 10 GLU HG2 H 2.246 0.030 2 19 10 10 GLU HG3 H 2.201 0.030 2 20 10 10 GLU C C 176.249 0.300 1 21 10 10 GLU CA C 56.555 0.300 1 22 10 10 GLU CB C 30.427 0.300 1 23 10 10 GLU CG C 36.269 0.300 1 24 10 10 GLU N N 120.530 0.300 1 25 11 11 LYS H H 8.293 0.030 1 26 11 11 LYS HA H 4.512 0.030 1 27 11 11 LYS HB2 H 1.601 0.030 1 28 11 11 LYS HB3 H 1.601 0.030 1 29 11 11 LYS HD2 H 1.553 0.030 1 30 11 11 LYS HD3 H 1.553 0.030 1 31 11 11 LYS HE2 H 2.897 0.030 1 32 11 11 LYS HE3 H 2.897 0.030 1 33 11 11 LYS HG2 H 1.311 0.030 2 34 11 11 LYS HG3 H 1.260 0.030 2 35 11 11 LYS C C 173.978 0.300 1 36 11 11 LYS CA C 53.847 0.300 1 37 11 11 LYS CB C 32.641 0.300 1 38 11 11 LYS CD C 29.227 0.300 1 39 11 11 LYS CE C 42.320 0.300 1 40 11 11 LYS CG C 24.614 0.300 1 41 11 11 LYS N N 122.964 0.300 1 42 12 12 PRO HA H 4.314 0.030 1 43 12 12 PRO HB2 H 1.466 0.030 2 44 12 12 PRO HB3 H 2.046 0.030 2 45 12 12 PRO HD2 H 3.627 0.030 2 46 12 12 PRO HD3 H 3.537 0.030 2 47 12 12 PRO HG2 H 1.714 0.030 2 48 12 12 PRO HG3 H 1.851 0.030 2 49 12 12 PRO C C 176.442 0.300 1 50 12 12 PRO CA C 62.958 0.300 1 51 12 12 PRO CB C 32.278 0.300 1 52 12 12 PRO CD C 50.247 0.300 1 53 12 12 PRO CG C 26.800 0.300 1 54 13 13 TYR H H 8.112 0.030 1 55 13 13 TYR HA H 4.567 0.030 1 56 13 13 TYR HB2 H 2.891 0.030 2 57 13 13 TYR HB3 H 2.829 0.030 2 58 13 13 TYR HD1 H 6.932 0.030 1 59 13 13 TYR HD2 H 6.932 0.030 1 60 13 13 TYR HE1 H 6.794 0.030 1 61 13 13 TYR HE2 H 6.794 0.030 1 62 13 13 TYR C C 174.068 0.300 1 63 13 13 TYR CA C 57.325 0.300 1 64 13 13 TYR CB C 38.254 0.300 1 65 13 13 TYR CD1 C 133.047 0.300 1 66 13 13 TYR CD2 C 133.047 0.300 1 67 13 13 TYR CE1 C 118.245 0.300 1 68 13 13 TYR CE2 C 118.245 0.300 1 69 13 13 TYR N N 119.819 0.300 1 70 14 14 LYS H H 8.374 0.030 1 71 14 14 LYS HA H 5.028 0.030 1 72 14 14 LYS HB2 H 1.475 0.030 2 73 14 14 LYS HB3 H 1.704 0.030 2 74 14 14 LYS HD2 H 1.544 0.030 1 75 14 14 LYS HD3 H 1.544 0.030 1 76 14 14 LYS HE2 H 2.889 0.030 1 77 14 14 LYS HE3 H 2.889 0.030 1 78 14 14 LYS HG2 H 1.030 0.030 2 79 14 14 LYS HG3 H 1.117 0.030 2 80 14 14 LYS C C 175.001 0.300 1 81 14 14 LYS CA C 54.791 0.300 1 82 14 14 LYS CB C 35.927 0.300 1 83 14 14 LYS CD C 29.645 0.300 1 84 14 14 LYS CE C 41.934 0.300 1 85 14 14 LYS CG C 24.411 0.300 1 86 14 14 LYS N N 124.824 0.300 1 87 15 15 CYS H H 9.323 0.030 1 88 15 15 CYS HA H 4.540 0.030 1 89 15 15 CYS HB2 H 2.836 0.030 2 90 15 15 CYS HB3 H 3.380 0.030 2 91 15 15 CYS C C 176.876 0.300 1 92 15 15 CYS CA C 59.340 0.300 1 93 15 15 CYS CB C 29.441 0.300 1 94 15 15 CYS N N 127.759 0.300 1 95 16 16 ASN H H 9.404 0.030 1 96 16 16 ASN HA H 4.496 0.030 1 97 16 16 ASN HB2 H 2.856 0.030 1 98 16 16 ASN HB3 H 2.856 0.030 1 99 16 16 ASN HD21 H 7.670 0.030 2 100 16 16 ASN HD22 H 6.956 0.030 2 101 16 16 ASN C C 175.480 0.300 1 102 16 16 ASN CA C 55.581 0.300 1 103 16 16 ASN CB C 38.359 0.300 1 104 16 16 ASN N N 130.358 0.300 1 105 16 16 ASN ND2 N 113.437 0.300 1 106 17 17 GLU H H 8.632 0.030 1 107 17 17 GLU HA H 4.186 0.030 1 108 17 17 GLU HB2 H 1.335 0.030 2 109 17 17 GLU HB3 H 1.297 0.030 2 110 17 17 GLU HG2 H 1.850 0.030 2 111 17 17 GLU HG3 H 1.741 0.030 2 112 17 17 GLU C C 177.098 0.300 1 113 17 17 GLU CA C 58.380 0.300 1 114 17 17 GLU CB C 29.413 0.300 1 115 17 17 GLU CG C 35.623 0.300 1 116 17 17 GLU N N 120.730 0.300 1 117 18 18 CYS H H 7.900 0.030 1 118 18 18 CYS HA H 5.153 0.030 1 119 18 18 CYS HB2 H 2.851 0.030 2 120 18 18 CYS HB3 H 3.416 0.030 2 121 18 18 CYS C C 176.249 0.300 1 122 18 18 CYS CA C 58.287 0.300 1 123 18 18 CYS CB C 32.369 0.300 1 124 18 18 CYS N N 114.516 0.300 1 125 19 19 GLY H H 8.195 0.030 1 126 19 19 GLY HA2 H 3.711 0.030 2 127 19 19 GLY HA3 H 4.221 0.030 2 128 19 19 GLY C C 173.588 0.300 1 129 19 19 GLY CA C 46.163 0.300 1 130 19 19 GLY N N 113.562 0.300 1 131 20 20 LYS H H 7.843 0.030 1 132 20 20 LYS HA H 3.965 0.030 1 133 20 20 LYS HB2 H 1.339 0.030 2 134 20 20 LYS HB3 H 1.193 0.030 2 135 20 20 LYS HD2 H 1.471 0.030 2 136 20 20 LYS HD3 H 1.428 0.030 2 137 20 20 LYS HE2 H 2.960 0.030 2 138 20 20 LYS HE3 H 2.910 0.030 2 139 20 20 LYS HG2 H 1.442 0.030 2 140 20 20 LYS HG3 H 1.066 0.030 2 141 20 20 LYS C C 174.278 0.300 1 142 20 20 LYS CA C 58.269 0.300 1 143 20 20 LYS CB C 33.824 0.300 1 144 20 20 LYS CD C 29.251 0.300 1 145 20 20 LYS CE C 42.136 0.300 1 146 20 20 LYS CG C 26.454 0.300 1 147 20 20 LYS N N 122.520 0.300 1 148 21 21 VAL H H 7.595 0.030 1 149 21 21 VAL HA H 4.765 0.030 1 150 21 21 VAL HB H 1.828 0.030 1 151 21 21 VAL HG1 H 0.806 0.030 1 152 21 21 VAL HG2 H 0.797 0.030 1 153 21 21 VAL C C 175.170 0.300 1 154 21 21 VAL CA C 60.529 0.300 1 155 21 21 VAL CB C 34.005 0.300 1 156 21 21 VAL CG1 C 21.912 0.300 2 157 21 21 VAL CG2 C 20.358 0.300 2 158 21 21 VAL N N 117.148 0.300 1 159 22 22 PHE H H 8.727 0.030 1 160 22 22 PHE HA H 4.886 0.030 1 161 22 22 PHE HB2 H 2.737 0.030 2 162 22 22 PHE HB3 H 3.512 0.030 2 163 22 22 PHE HD1 H 7.277 0.030 1 164 22 22 PHE HD2 H 7.277 0.030 1 165 22 22 PHE HE1 H 6.831 0.030 1 166 22 22 PHE HE2 H 6.831 0.030 1 167 22 22 PHE HZ H 6.162 0.030 1 168 22 22 PHE C C 175.644 0.300 1 169 22 22 PHE CA C 56.863 0.300 1 170 22 22 PHE CB C 43.617 0.300 1 171 22 22 PHE CD1 C 132.424 0.300 1 172 22 22 PHE CD2 C 132.424 0.300 1 173 22 22 PHE CE1 C 130.656 0.300 1 174 22 22 PHE CE2 C 130.656 0.300 1 175 22 22 PHE CZ C 128.832 0.300 1 176 22 22 PHE N N 121.448 0.300 1 177 23 23 THR H H 9.546 0.030 1 178 23 23 THR HA H 4.563 0.030 1 179 23 23 THR HB H 4.481 0.030 1 180 23 23 THR HG2 H 1.325 0.030 1 181 23 23 THR C C 174.845 0.300 1 182 23 23 THR CA C 63.192 0.300 1 183 23 23 THR CB C 69.724 0.300 1 184 23 23 THR CG2 C 22.336 0.300 1 185 23 23 THR N N 111.123 0.300 1 186 24 24 GLN H H 7.063 0.030 1 187 24 24 GLN HA H 4.490 0.030 1 188 24 24 GLN HB2 H 1.907 0.030 2 189 24 24 GLN HB3 H 0.937 0.030 2 190 24 24 GLN HE21 H 7.299 0.030 2 191 24 24 GLN HE22 H 6.802 0.030 2 192 24 24 GLN HG2 H 2.111 0.030 2 193 24 24 GLN HG3 H 2.015 0.030 2 194 24 24 GLN C C 175.749 0.300 1 195 24 24 GLN CA C 53.951 0.300 1 196 24 24 GLN CB C 32.005 0.300 1 197 24 24 GLN CG C 33.197 0.300 1 198 24 24 GLN N N 115.353 0.300 1 199 24 24 GLN NE2 N 111.865 0.300 1 200 25 25 ASN HA H 3.547 0.030 1 201 25 25 ASN HB2 H 2.416 0.030 2 202 25 25 ASN HB3 H 2.225 0.030 2 203 25 25 ASN HD21 H 7.332 0.030 2 204 25 25 ASN HD22 H 6.780 0.030 2 205 25 25 ASN CA C 56.199 0.300 1 206 25 25 ASN CB C 38.257 0.300 1 207 25 25 ASN ND2 N 112.508 0.300 1 208 26 26 SER HA H 3.989 0.030 1 209 26 26 SER HB2 H 3.792 0.030 1 210 26 26 SER HB3 H 3.792 0.030 1 211 26 26 SER C C 176.796 0.300 1 212 26 26 SER CA C 60.873 0.300 1 213 26 26 SER CB C 61.570 0.300 1 214 27 27 HIS H H 6.634 0.030 1 215 27 27 HIS HA H 4.472 0.030 1 216 27 27 HIS HB2 H 3.252 0.030 1 217 27 27 HIS HB3 H 3.252 0.030 1 218 27 27 HIS HD2 H 6.912 0.030 1 219 27 27 HIS HE1 H 7.716 0.030 1 220 27 27 HIS C C 178.518 0.300 1 221 27 27 HIS CA C 56.910 0.300 1 222 27 27 HIS CB C 31.688 0.300 1 223 27 27 HIS CD2 C 116.771 0.300 1 224 27 27 HIS CE1 C 139.239 0.300 1 225 27 27 HIS N N 121.078 0.300 1 226 28 28 LEU H H 6.980 0.030 1 227 28 28 LEU HA H 3.167 0.030 1 228 28 28 LEU HB2 H 1.200 0.030 2 229 28 28 LEU HB3 H 1.992 0.030 2 230 28 28 LEU HD1 H 0.976 0.030 1 231 28 28 LEU HD2 H 1.014 0.030 1 232 28 28 LEU HG H 1.484 0.030 1 233 28 28 LEU C C 177.342 0.300 1 234 28 28 LEU CA C 57.802 0.300 1 235 28 28 LEU CB C 40.359 0.300 1 236 28 28 LEU CD1 C 22.913 0.300 2 237 28 28 LEU CD2 C 26.402 0.300 2 238 28 28 LEU CG C 27.437 0.300 1 239 28 28 LEU N N 122.030 0.300 1 240 29 29 ALA H H 8.285 0.030 1 241 29 29 ALA HA H 4.109 0.030 1 242 29 29 ALA HB H 1.335 0.030 1 243 29 29 ALA C C 180.716 0.300 1 244 29 29 ALA CA C 55.115 0.300 1 245 29 29 ALA CB C 17.580 0.300 1 246 29 29 ALA N N 121.768 0.300 1 247 30 30 ASN H H 7.754 0.030 1 248 30 30 ASN HA H 4.337 0.030 1 249 30 30 ASN HB2 H 2.741 0.030 1 250 30 30 ASN HB3 H 2.741 0.030 1 251 30 30 ASN HD21 H 6.933 0.030 2 252 30 30 ASN HD22 H 7.690 0.030 2 253 30 30 ASN C C 177.677 0.300 1 254 30 30 ASN CA C 55.880 0.300 1 255 30 30 ASN CB C 38.459 0.300 1 256 30 30 ASN N N 115.224 0.300 1 257 30 30 ASN ND2 N 113.098 0.300 1 258 31 31 HIS H H 7.622 0.030 1 259 31 31 HIS HA H 4.186 0.030 1 260 31 31 HIS HB2 H 2.876 0.030 2 261 31 31 HIS HB3 H 3.117 0.030 2 262 31 31 HIS HD2 H 6.916 0.030 1 263 31 31 HIS HE1 H 8.031 0.030 1 264 31 31 HIS C C 176.046 0.300 1 265 31 31 HIS CA C 59.000 0.300 1 266 31 31 HIS CB C 28.512 0.300 1 267 31 31 HIS CD2 C 127.209 0.300 1 268 31 31 HIS CE1 C 139.690 0.300 1 269 31 31 HIS N N 119.766 0.300 1 270 32 32 GLN H H 8.340 0.030 1 271 32 32 GLN HA H 3.651 0.030 1 272 32 32 GLN HB2 H 2.256 0.030 2 273 32 32 GLN HB3 H 2.195 0.030 2 274 32 32 GLN HE21 H 7.560 0.030 2 275 32 32 GLN HE22 H 7.046 0.030 2 276 32 32 GLN HG2 H 2.776 0.030 1 277 32 32 GLN HG3 H 2.776 0.030 1 278 32 32 GLN C C 177.214 0.300 1 279 32 32 GLN CA C 59.292 0.300 1 280 32 32 GLN CB C 28.240 0.300 1 281 32 32 GLN CG C 35.303 0.300 1 282 32 32 GLN N N 115.330 0.300 1 283 32 32 GLN NE2 N 112.738 0.300 1 284 33 33 ARG H H 7.044 0.030 1 285 33 33 ARG HA H 4.082 0.030 1 286 33 33 ARG HB2 H 1.840 0.030 2 287 33 33 ARG HB3 H 1.764 0.030 2 288 33 33 ARG HD2 H 3.200 0.030 1 289 33 33 ARG HD3 H 3.200 0.030 1 290 33 33 ARG HG2 H 1.640 0.030 2 291 33 33 ARG HG3 H 1.787 0.030 2 292 33 33 ARG C C 178.327 0.300 1 293 33 33 ARG CA C 58.424 0.300 1 294 33 33 ARG CB C 29.986 0.300 1 295 33 33 ARG CD C 43.440 0.300 1 296 33 33 ARG CG C 27.447 0.300 1 297 33 33 ARG N N 117.134 0.300 1 298 34 34 ILE H H 7.742 0.030 1 299 34 34 ILE HA H 3.967 0.030 1 300 34 34 ILE HB H 1.667 0.030 1 301 34 34 ILE HD1 H 0.665 0.030 1 302 34 34 ILE HG12 H 0.908 0.030 2 303 34 34 ILE HG13 H 0.675 0.030 2 304 34 34 ILE HG2 H 0.536 0.030 1 305 34 34 ILE C C 177.139 0.300 1 306 34 34 ILE CA C 62.781 0.300 1 307 34 34 ILE CB C 37.737 0.300 1 308 34 34 ILE CD1 C 14.329 0.300 1 309 34 34 ILE CG1 C 26.604 0.300 1 310 34 34 ILE CG2 C 16.519 0.300 1 311 34 34 ILE N N 115.829 0.300 1 312 35 35 HIS H H 7.247 0.030 1 313 35 35 HIS HA H 4.868 0.030 1 314 35 35 HIS HB2 H 3.303 0.030 2 315 35 35 HIS HB3 H 3.210 0.030 2 316 35 35 HIS HD2 H 6.737 0.030 1 317 35 35 HIS HE1 H 8.036 0.030 1 318 35 35 HIS C C 175.481 0.300 1 319 35 35 HIS CA C 54.896 0.300 1 320 35 35 HIS CB C 28.514 0.300 1 321 35 35 HIS CD2 C 127.662 0.300 1 322 35 35 HIS CE1 C 139.935 0.300 1 323 35 35 HIS N N 118.234 0.300 1 324 36 36 THR H H 7.800 0.030 1 325 36 36 THR HA H 4.322 0.030 1 326 36 36 THR HB H 4.278 0.030 1 327 36 36 THR HG2 H 1.214 0.030 1 328 36 36 THR C C 175.303 0.300 1 329 36 36 THR CA C 62.360 0.300 1 330 36 36 THR CB C 69.805 0.300 1 331 36 36 THR CG2 C 21.529 0.300 1 332 36 36 THR N N 112.276 0.300 1 333 37 37 GLY H H 8.319 0.030 1 334 37 37 GLY HA2 H 3.956 0.030 1 335 37 37 GLY HA3 H 3.956 0.030 1 336 37 37 GLY C C 173.912 0.300 1 337 37 37 GLY CA C 45.401 0.300 1 338 37 37 GLY N N 111.052 0.300 1 339 38 38 VAL H H 7.884 0.030 1 340 38 38 VAL HA H 4.055 0.030 1 341 38 38 VAL HB H 1.987 0.030 1 342 38 38 VAL HG1 H 0.874 0.030 1 343 38 38 VAL HG2 H 0.876 0.030 1 344 38 38 VAL C C 175.980 0.300 1 345 38 38 VAL CA C 62.140 0.300 1 346 38 38 VAL CB C 32.775 0.300 1 347 38 38 VAL CG1 C 21.062 0.300 2 348 38 38 VAL CG2 C 20.600 0.300 2 349 38 38 VAL N N 119.637 0.300 1 350 39 39 LYS H H 8.455 0.030 1 351 39 39 LYS HA H 4.584 0.030 1 352 39 39 LYS HB2 H 1.703 0.030 2 353 39 39 LYS HB3 H 1.788 0.030 2 354 39 39 LYS HD2 H 1.662 0.030 1 355 39 39 LYS HD3 H 1.662 0.030 1 356 39 39 LYS HE2 H 2.973 0.030 1 357 39 39 LYS HE3 H 2.973 0.030 1 358 39 39 LYS HG2 H 1.449 0.030 1 359 39 39 LYS HG3 H 1.449 0.030 1 360 39 39 LYS C C 174.468 0.300 1 361 39 39 LYS CA C 54.142 0.300 1 362 39 39 LYS CB C 32.494 0.300 1 363 39 39 LYS CD C 29.125 0.300 1 364 39 39 LYS CE C 42.124 0.300 1 365 39 39 LYS CG C 24.511 0.300 1 366 39 39 LYS N N 127.277 0.300 1 367 40 40 PRO HA H 4.423 0.030 1 368 40 40 PRO HB2 H 2.281 0.030 2 369 40 40 PRO HB3 H 1.915 0.030 2 370 40 40 PRO HD2 H 3.829 0.030 2 371 40 40 PRO HD3 H 3.629 0.030 2 372 40 40 PRO HG2 H 2.007 0.030 2 373 40 40 PRO HG3 H 1.972 0.030 2 374 40 40 PRO CA C 63.187 0.300 1 375 40 40 PRO CB C 32.170 0.300 1 376 40 40 PRO CD C 50.721 0.300 1 377 40 40 PRO CG C 27.394 0.300 1 378 42 42 GLY HA2 H 4.127 0.030 2 379 42 42 GLY HA3 H 4.084 0.030 2 380 42 42 GLY CA C 44.589 0.300 1 381 43 43 PRO HA H 4.429 0.030 1 382 43 43 PRO HB2 H 2.278 0.030 2 383 43 43 PRO HB3 H 1.921 0.030 2 384 43 43 PRO HD2 H 3.599 0.030 1 385 43 43 PRO HD3 H 3.599 0.030 1 386 43 43 PRO HG2 H 1.990 0.030 1 387 43 43 PRO HG3 H 1.990 0.030 1 388 43 43 PRO CA C 63.149 0.300 1 389 43 43 PRO CB C 32.170 0.300 1 390 43 43 PRO CD C 49.773 0.300 1 391 43 43 PRO CG C 27.166 0.300 1 stop_ save_