data_10152 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 495-525) of human Zinc finger protein 268 ; _BMRB_accession_number 10152 _BMRB_flat_file_name bmr10152.str _Entry_type original _Submission_date 2007-12-11 _Accession_date 2007-12-12 _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" 212 "13C chemical shifts" 161 "15N chemical shifts" 36 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-25 update BMRB 'update entity name' 2008-12-11 original author 'original release' stop_ 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 495-525) of human Zinc finger protein 268 ; _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 268' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Zinc finger protein 268' $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 protein 268' _Molecular_mass . _Mol_thiol_state 'all other bond' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GSSGSSGTGMKPYVCNECGK AFRSKSYLIIHTRTHTGESG PSSG ; 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 MET 11 LYS 12 PRO 13 TYR 14 VAL 15 CYS 16 ASN 17 GLU 18 CYS 19 GLY 20 LYS 21 ALA 22 PHE 23 ARG 24 SER 25 LYS 26 SER 27 TYR 28 LEU 29 ILE 30 ILE 31 HIS 32 THR 33 ARG 34 THR 35 HIS 36 THR 37 GLY 38 GLU 39 SER 40 GLY 41 PRO 42 SER 43 SER 44 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 2EN7 "Solution Structure Of The C2h2 Type Zinc Finger (Region 495- 525) Of Human Zinc Finger Protein 268" 100.00 44 100.00 100.00 1.03e-21 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 Wed Jul 6 16:58:51 2011 ; 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' . . . . plasmid P061218-09 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 '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 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Zinc finger protein 268' _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 CA C 45.465 0.300 1 2 7 7 GLY HA3 H 4.004 0.030 1 3 7 7 GLY C C 174.505 0.300 1 4 7 7 GLY HA2 H 4.004 0.030 1 5 8 8 THR N N 112.992 0.300 1 6 8 8 THR H H 8.116 0.030 1 7 8 8 THR CA C 62.003 0.300 1 8 8 8 THR HA H 4.339 0.030 1 9 8 8 THR CB C 69.816 0.300 1 10 8 8 THR HB H 4.286 0.030 1 11 8 8 THR CG2 C 21.560 0.300 1 12 8 8 THR HG2 H 1.158 0.030 1 13 8 8 THR C C 175.226 0.300 1 14 9 9 GLY N N 110.864 0.300 1 15 9 9 GLY H H 8.444 0.030 1 16 9 9 GLY CA C 45.365 0.300 1 17 9 9 GLY HA3 H 3.928 0.030 1 18 9 9 GLY C C 174.085 0.300 1 19 9 9 GLY HA2 H 3.928 0.030 1 20 10 10 MET N N 119.413 0.300 1 21 10 10 MET H H 8.136 0.030 1 22 10 10 MET CA C 55.711 0.300 1 23 10 10 MET HA H 4.375 0.030 1 24 10 10 MET CB C 32.785 0.300 1 25 10 10 MET HB3 H 1.988 0.030 1 26 10 10 MET CG C 32.066 0.300 1 27 10 10 MET HG3 H 2.564 0.030 2 28 10 10 MET CE C 17.130 0.300 1 29 10 10 MET HE H 2.074 0.030 1 30 10 10 MET C C 176.047 0.300 1 31 10 10 MET HB2 H 1.988 0.030 1 32 10 10 MET HG2 H 2.481 0.030 2 33 11 11 LYS N N 122.314 0.300 1 34 11 11 LYS H H 8.236 0.030 1 35 11 11 LYS CA C 53.843 0.300 1 36 11 11 LYS HA H 4.511 0.030 1 37 11 11 LYS CB C 32.984 0.300 1 38 11 11 LYS HB3 H 1.452 0.030 2 39 11 11 LYS CG C 24.947 0.300 1 40 11 11 LYS HG3 H 1.124 0.030 2 41 11 11 LYS CD C 29.433 0.300 1 42 11 11 LYS HD3 H 1.505 0.030 1 43 11 11 LYS CE C 42.225 0.300 1 44 11 11 LYS HE3 H 2.892 0.030 1 45 11 11 LYS C C 173.828 0.300 1 46 11 11 LYS HB2 H 1.555 0.030 2 47 11 11 LYS HD2 H 1.505 0.030 1 48 11 11 LYS HE2 H 2.892 0.030 1 49 11 11 LYS HG2 H 1.314 0.030 2 50 12 12 PRO CA C 63.240 0.300 1 51 12 12 PRO HA H 4.296 0.030 1 52 12 12 PRO CB C 32.231 0.300 1 53 12 12 PRO HB3 H 1.996 0.030 2 54 12 12 PRO CG C 26.716 0.300 1 55 12 12 PRO HG3 H 1.608 0.030 2 56 12 12 PRO CD C 50.116 0.300 1 57 12 12 PRO HD3 H 3.598 0.030 1 58 12 12 PRO C C 176.278 0.300 1 59 12 12 PRO HB2 H 1.329 0.030 2 60 12 12 PRO HD2 H 3.598 0.030 1 61 12 12 PRO HG2 H 1.793 0.030 2 62 13 13 TYR N N 119.354 0.300 1 63 13 13 TYR H H 7.989 0.030 1 64 13 13 TYR CA C 57.665 0.300 1 65 13 13 TYR HA H 4.568 0.030 1 66 13 13 TYR CB C 38.332 0.300 1 67 13 13 TYR HB3 H 2.831 0.030 2 68 13 13 TYR CD1 C 132.890 0.300 1 69 13 13 TYR HD1 H 7.017 0.030 1 70 13 13 TYR CD2 C 132.890 0.300 1 71 13 13 TYR HD2 H 7.017 0.030 1 72 13 13 TYR CE1 C 118.379 0.300 1 73 13 13 TYR HE1 H 6.864 0.030 1 74 13 13 TYR CE2 C 118.379 0.300 1 75 13 13 TYR HE2 H 6.864 0.030 1 76 13 13 TYR C C 174.439 0.300 1 77 13 13 TYR HB2 H 2.910 0.030 2 78 14 14 VAL N N 124.765 0.300 1 79 14 14 VAL H H 8.407 0.030 1 80 14 14 VAL CA C 61.341 0.300 1 81 14 14 VAL HA H 4.583 0.030 1 82 14 14 VAL CB C 34.420 0.300 1 83 14 14 VAL HB H 1.826 0.030 1 84 14 14 VAL CG1 C 20.976 0.300 2 85 14 14 VAL HG1 H 0.725 0.030 1 86 14 14 VAL CG2 C 21.605 0.300 2 87 14 14 VAL HG2 H 0.792 0.030 1 88 14 14 VAL C C 175.329 0.300 1 89 15 15 CYS N N 128.696 0.300 1 90 15 15 CYS H H 9.225 0.030 1 91 15 15 CYS CA C 59.512 0.300 1 92 15 15 CYS HA H 4.512 0.030 1 93 15 15 CYS CB C 29.777 0.300 1 94 15 15 CYS HB3 H 2.888 0.030 2 95 15 15 CYS C C 176.992 0.300 1 96 15 15 CYS HB2 H 3.411 0.030 2 97 16 16 ASN N N 130.445 0.300 1 98 16 16 ASN H H 9.373 0.030 1 99 16 16 ASN CA C 55.598 0.300 1 100 16 16 ASN HA H 4.521 0.030 1 101 16 16 ASN CB C 38.593 0.300 1 102 16 16 ASN HB3 H 2.874 0.030 1 103 16 16 ASN ND2 N 113.394 0.300 1 104 16 16 ASN HD21 H 7.704 0.030 2 105 16 16 ASN HD22 H 6.976 0.030 2 106 16 16 ASN C C 175.261 0.300 1 107 16 16 ASN HB2 H 2.874 0.030 1 108 17 17 GLU N N 120.657 0.300 1 109 17 17 GLU H H 8.766 0.030 1 110 17 17 GLU CA C 58.253 0.300 1 111 17 17 GLU HA H 4.225 0.030 1 112 17 17 GLU CB C 29.552 0.300 1 113 17 17 GLU HB3 H 1.379 0.030 1 114 17 17 GLU CG C 35.385 0.300 1 115 17 17 GLU HG3 H 1.736 0.030 2 116 17 17 GLU C C 177.171 0.300 1 117 17 17 GLU HB2 H 1.379 0.030 1 118 17 17 GLU HG2 H 1.868 0.030 2 119 18 18 CYS N N 114.840 0.300 1 120 18 18 CYS H H 8.023 0.030 1 121 18 18 CYS CA C 58.322 0.300 1 122 18 18 CYS HA H 5.169 0.030 1 123 18 18 CYS CB C 32.619 0.300 1 124 18 18 CYS HB3 H 2.851 0.030 2 125 18 18 CYS C C 176.373 0.300 1 126 18 18 CYS HB2 H 3.435 0.030 2 127 19 19 GLY N N 113.504 0.300 1 128 19 19 GLY H H 8.164 0.030 1 129 19 19 GLY CA C 46.263 0.300 1 130 19 19 GLY HA3 H 4.177 0.030 2 131 19 19 GLY C C 173.670 0.300 1 132 19 19 GLY HA2 H 3.743 0.030 2 133 20 20 LYS N N 122.939 0.300 1 134 20 20 LYS H H 7.950 0.030 1 135 20 20 LYS CA C 58.169 0.300 1 136 20 20 LYS HA H 3.947 0.030 1 137 20 20 LYS CB C 33.712 0.300 1 138 20 20 LYS HB3 H 1.251 0.030 2 139 20 20 LYS CG C 26.428 0.300 1 140 20 20 LYS HG3 H 1.473 0.030 2 141 20 20 LYS CD C 29.496 0.300 1 142 20 20 LYS HD3 H 1.486 0.030 2 143 20 20 LYS CE C 42.235 0.300 1 144 20 20 LYS HE3 H 2.932 0.030 2 145 20 20 LYS C C 173.404 0.300 1 146 20 20 LYS HB2 H 1.407 0.030 2 147 20 20 LYS HD2 H 1.535 0.030 2 148 20 20 LYS HE2 H 2.983 0.030 2 149 20 20 LYS HG2 H 1.113 0.030 2 150 21 21 ALA N N 123.614 0.300 1 151 21 21 ALA H H 7.752 0.030 1 152 21 21 ALA CA C 50.174 0.300 1 153 21 21 ALA HA H 5.114 0.030 1 154 21 21 ALA CB C 22.563 0.300 1 155 21 21 ALA HB H 1.214 0.030 1 156 21 21 ALA C C 176.523 0.300 1 157 22 22 PHE N N 116.849 0.300 1 158 22 22 PHE H H 8.926 0.030 1 159 22 22 PHE CA C 57.347 0.300 1 160 22 22 PHE HA H 4.736 0.030 1 161 22 22 PHE CB C 44.094 0.300 1 162 22 22 PHE HB3 H 3.388 0.030 2 163 22 22 PHE CD1 C 132.290 0.300 1 164 22 22 PHE HD1 H 7.279 0.030 1 165 22 22 PHE CD2 C 132.290 0.300 1 166 22 22 PHE HD2 H 7.279 0.030 1 167 22 22 PHE CE1 C 130.760 0.300 1 168 22 22 PHE HE1 H 6.822 0.030 1 169 22 22 PHE CE2 C 130.760 0.300 1 170 22 22 PHE HE2 H 6.822 0.030 1 171 22 22 PHE CZ C 128.712 0.300 1 172 22 22 PHE HZ H 6.149 0.030 1 173 22 22 PHE C C 176.070 0.300 1 174 22 22 PHE HB2 H 2.820 0.030 2 175 23 23 ARG N N 118.853 0.300 1 176 23 23 ARG H H 9.278 0.030 1 177 23 23 ARG CA C 57.758 0.300 1 178 23 23 ARG HA H 4.507 0.030 1 179 23 23 ARG CB C 31.163 0.300 1 180 23 23 ARG HB3 H 2.007 0.030 1 181 23 23 ARG CG C 27.333 0.300 1 182 23 23 ARG HG3 H 1.996 0.030 2 183 23 23 ARG CD C 43.429 0.300 1 184 23 23 ARG HD3 H 3.240 0.030 1 185 23 23 ARG C C 175.555 0.300 1 186 23 23 ARG HB2 H 2.007 0.030 1 187 23 23 ARG HD2 H 3.240 0.030 1 188 23 23 ARG HG2 H 1.777 0.030 2 189 24 24 SER N N 109.867 0.300 1 190 24 24 SER H H 7.445 0.030 1 191 24 24 SER CA C 55.916 0.300 1 192 24 24 SER HA H 4.716 0.030 1 193 24 24 SER CB C 66.155 0.300 1 194 24 24 SER HB3 H 3.674 0.030 2 195 24 24 SER C C 173.335 0.300 1 196 24 24 SER HB2 H 3.902 0.030 2 197 25 25 LYS N N 125.390 0.300 1 198 25 25 LYS H H 8.308 0.030 1 199 25 25 LYS CA C 59.004 0.300 1 200 25 25 LYS HA H 3.212 0.030 1 201 25 25 LYS CB C 31.811 0.300 1 202 25 25 LYS HB3 H 1.216 0.030 2 203 25 25 LYS CG C 24.939 0.300 1 204 25 25 LYS HG3 H 1.141 0.030 2 205 25 25 LYS CD C 29.333 0.300 1 206 25 25 LYS HD3 H 1.596 0.030 2 207 25 25 LYS CE C 42.120 0.300 1 208 25 25 LYS HE3 H 2.914 0.030 1 209 25 25 LYS C C 178.128 0.300 1 210 25 25 LYS HB2 H 1.537 0.030 2 211 25 25 LYS HD2 H 1.651 0.030 2 212 25 25 LYS HE2 H 2.914 0.030 1 213 25 25 LYS HG2 H 1.269 0.030 2 214 26 26 SER N N 113.087 0.300 1 215 26 26 SER H H 8.198 0.030 1 216 26 26 SER CA C 61.434 0.300 1 217 26 26 SER HA H 3.944 0.030 1 218 26 26 SER CB C 61.936 0.300 1 219 26 26 SER HB3 H 3.675 0.030 1 220 26 26 SER C C 176.875 0.300 1 221 26 26 SER HB2 H 3.675 0.030 1 222 27 27 TYR N N 119.500 0.300 1 223 27 27 TYR H H 7.262 0.030 1 224 27 27 TYR CA C 59.906 0.300 1 225 27 27 TYR HA H 4.245 0.030 1 226 27 27 TYR CB C 37.518 0.300 1 227 27 27 TYR HB3 H 3.031 0.030 2 228 27 27 TYR CD1 C 132.265 0.300 1 229 27 27 TYR HD1 H 7.203 0.030 1 230 27 27 TYR CD2 C 132.265 0.300 1 231 27 27 TYR HD2 H 7.203 0.030 1 232 27 27 TYR CE1 C 118.323 0.300 1 233 27 27 TYR HE1 H 6.865 0.030 1 234 27 27 TYR CE2 C 118.323 0.300 1 235 27 27 TYR HE2 H 6.865 0.030 1 236 27 27 TYR C C 178.410 0.300 1 237 27 27 TYR HB2 H 3.180 0.030 2 238 28 28 LEU N N 122.215 0.300 1 239 28 28 LEU H H 7.340 0.030 1 240 28 28 LEU CA C 58.160 0.300 1 241 28 28 LEU HA H 3.372 0.030 1 242 28 28 LEU CB C 40.641 0.300 1 243 28 28 LEU HB3 H 1.352 0.030 2 244 28 28 LEU CG C 27.371 0.300 1 245 28 28 LEU HG H 1.583 0.030 1 246 28 28 LEU CD1 C 22.626 0.300 2 247 28 28 LEU HD1 H 0.985 0.030 1 248 28 28 LEU CD2 C 26.627 0.300 2 249 28 28 LEU HD2 H 1.035 0.030 1 250 28 28 LEU C C 178.010 0.300 1 251 28 28 LEU HB2 H 2.113 0.030 2 252 29 29 ILE N N 121.146 0.300 1 253 29 29 ILE H H 8.364 0.030 1 254 29 29 ILE CA C 65.133 0.300 1 255 29 29 ILE HA H 3.650 0.030 1 256 29 29 ILE CB C 37.476 0.300 1 257 29 29 ILE HB H 1.845 0.030 1 258 29 29 ILE CG1 C 29.022 0.300 1 259 29 29 ILE HG13 H 1.152 0.030 2 260 29 29 ILE CG2 C 16.814 0.300 1 261 29 29 ILE HG2 H 0.838 0.030 1 262 29 29 ILE CD1 C 13.101 0.300 1 263 29 29 ILE HD1 H 0.767 0.030 1 264 29 29 ILE C C 179.053 0.300 1 265 29 29 ILE HG12 H 1.599 0.030 2 266 30 30 ILE N N 119.869 0.300 1 267 30 30 ILE H H 7.447 0.030 1 268 30 30 ILE CA C 65.067 0.300 1 269 30 30 ILE HA H 3.513 0.030 1 270 30 30 ILE CB C 38.321 0.300 1 271 30 30 ILE HB H 1.667 0.030 1 272 30 30 ILE CG1 C 29.255 0.300 1 273 30 30 ILE HG13 H 1.064 0.030 2 274 30 30 ILE CG2 C 17.134 0.300 1 275 30 30 ILE HG2 H 0.846 0.030 1 276 30 30 ILE CD1 C 13.137 0.300 1 277 30 30 ILE HD1 H 0.738 0.030 1 278 30 30 ILE C C 178.755 0.300 1 279 30 30 ILE HG12 H 1.630 0.030 2 280 31 31 HIS N N 119.137 0.300 1 281 31 31 HIS H H 7.717 0.030 1 282 31 31 HIS CA C 59.468 0.300 1 283 31 31 HIS HA H 4.231 0.030 1 284 31 31 HIS CB C 28.172 0.300 1 285 31 31 HIS HB3 H 2.745 0.030 2 286 31 31 HIS CD2 C 127.394 0.300 1 287 31 31 HIS HD2 H 6.884 0.030 1 288 31 31 HIS CE1 C 139.311 0.300 1 289 31 31 HIS HE1 H 7.990 0.030 1 290 31 31 HIS C C 178.382 0.300 1 291 31 31 HIS HB2 H 3.039 0.030 2 292 32 32 THR N N 116.707 0.300 1 293 32 32 THR H H 9.007 0.030 1 294 32 32 THR CA C 66.925 0.300 1 295 32 32 THR HA H 3.710 0.030 1 296 32 32 THR CB C 69.079 0.300 1 297 32 32 THR HB H 4.416 0.030 1 298 32 32 THR CG2 C 22.303 0.300 1 299 32 32 THR HG2 H 1.538 0.030 1 300 32 32 THR C C 176.003 0.300 1 301 33 33 ARG N N 119.936 0.300 1 302 33 33 ARG H H 7.256 0.030 1 303 33 33 ARG CA C 58.571 0.300 1 304 33 33 ARG HA H 4.219 0.030 1 305 33 33 ARG CB C 29.786 0.300 1 306 33 33 ARG HB3 H 1.830 0.030 2 307 33 33 ARG CG C 27.799 0.300 1 308 33 33 ARG HG3 H 1.842 0.030 2 309 33 33 ARG CD C 43.725 0.300 1 310 33 33 ARG HD3 H 3.131 0.030 1 311 33 33 ARG C C 178.241 0.300 1 312 33 33 ARG HB2 H 1.930 0.030 2 313 33 33 ARG HD2 H 3.131 0.030 1 314 33 33 ARG HG2 H 1.629 0.030 2 315 34 34 THR N N 109.982 0.300 1 316 34 34 THR H H 7.821 0.030 1 317 34 34 THR CA C 64.062 0.300 1 318 34 34 THR HA H 4.111 0.030 1 319 34 34 THR CB C 69.241 0.300 1 320 34 34 THR HB H 3.981 0.030 1 321 34 34 THR CG2 C 21.026 0.300 1 322 34 34 THR HG2 H 1.143 0.030 1 323 34 34 THR C C 175.691 0.300 1 324 35 35 HIS N N 118.562 0.300 1 325 35 35 HIS H H 7.303 0.030 1 326 35 35 HIS CA C 55.753 0.300 1 327 35 35 HIS HA H 4.833 0.030 1 328 35 35 HIS CB C 28.760 0.300 1 329 35 35 HIS HB3 H 3.225 0.030 2 330 35 35 HIS CD2 C 126.994 0.300 1 331 35 35 HIS HD2 H 6.625 0.030 1 332 35 35 HIS CE1 C 139.787 0.300 1 333 35 35 HIS HE1 H 8.010 0.030 1 334 35 35 HIS C C 175.857 0.300 1 335 35 35 HIS HB2 H 3.303 0.030 2 336 36 36 THR N N 111.405 0.300 1 337 36 36 THR H H 7.836 0.030 1 338 36 36 THR CA C 62.358 0.300 1 339 36 36 THR HA H 4.359 0.030 1 340 36 36 THR CB C 69.861 0.300 1 341 36 36 THR HB H 4.326 0.030 1 342 36 36 THR CG2 C 21.617 0.300 1 343 36 36 THR HG2 H 1.232 0.030 1 344 36 36 THR C C 175.557 0.300 1 345 37 37 GLY N N 110.788 0.300 1 346 37 37 GLY H H 8.256 0.030 1 347 37 37 GLY CA C 45.471 0.300 1 348 37 37 GLY HA3 H 3.933 0.030 2 349 37 37 GLY C C 174.315 0.300 1 350 37 37 GLY HA2 H 4.037 0.030 2 351 38 38 GLU N N 120.671 0.300 1 352 38 38 GLU H H 8.139 0.030 1 353 38 38 GLU CA C 56.638 0.300 1 354 38 38 GLU HA H 4.271 0.030 1 355 38 38 GLU CB C 30.487 0.300 1 356 38 38 GLU HB3 H 1.878 0.030 2 357 38 38 GLU CG C 36.275 0.300 1 358 38 38 GLU HG3 H 2.218 0.030 1 359 38 38 GLU C C 176.506 0.300 1 360 38 38 GLU HB2 H 2.020 0.030 2 361 38 38 GLU HG2 H 2.218 0.030 1 362 39 39 SER N N 116.808 0.300 1 363 39 39 SER H H 8.416 0.030 1 364 39 39 SER CA C 58.427 0.300 1 365 39 39 SER HA H 4.440 0.030 1 366 39 39 SER CB C 64.030 0.300 1 367 39 39 SER HB3 H 3.827 0.030 1 368 39 39 SER C C 174.564 0.300 1 369 39 39 SER HB2 H 3.827 0.030 1 370 40 40 GLY N N 110.559 0.300 1 371 40 40 GLY H H 8.236 0.030 1 372 40 40 GLY CA C 44.652 0.300 1 373 40 40 GLY HA3 H 4.045 0.030 2 374 40 40 GLY C C 171.663 0.300 1 375 40 40 GLY HA2 H 4.139 0.030 2 376 41 41 PRO CA C 63.186 0.300 1 377 41 41 PRO HA H 4.459 0.030 1 378 41 41 PRO CB C 32.141 0.300 1 379 41 41 PRO HB3 H 2.277 0.030 2 380 41 41 PRO CG C 27.142 0.300 1 381 41 41 PRO HG3 H 1.996 0.030 1 382 41 41 PRO CD C 49.856 0.300 1 383 41 41 PRO HD3 H 3.598 0.030 1 384 41 41 PRO C C 177.354 0.300 1 385 41 41 PRO HB2 H 1.956 0.030 2 386 41 41 PRO HD2 H 3.598 0.030 1 387 41 41 PRO HG2 H 1.996 0.030 1 388 42 42 SER N N 116.533 0.300 1 389 42 42 SER H H 8.540 0.030 1 390 42 42 SER CA C 58.357 0.300 1 391 42 42 SER HA H 4.458 0.030 1 392 42 42 SER CB C 63.799 0.300 1 393 42 42 SER HB3 H 3.866 0.030 1 394 42 42 SER C C 174.657 0.300 1 395 42 42 SER HB2 H 3.866 0.030 1 396 43 43 SER N N 117.855 0.300 1 397 43 43 SER H H 8.309 0.030 1 398 43 43 SER CA C 58.342 0.300 1 399 43 43 SER HA H 4.451 0.030 1 400 43 43 SER CB C 64.100 0.300 1 401 43 43 SER HB3 H 3.850 0.030 1 402 43 43 SER C C 173.896 0.300 1 403 43 43 SER HB2 H 3.850 0.030 1 404 44 44 GLY N N 116.840 0.300 1 405 44 44 GLY H H 8.047 0.030 1 406 44 44 GLY CA C 46.186 0.300 1 407 44 44 GLY HA3 H 3.769 0.030 1 408 44 44 GLY C C 178.953 0.300 1 409 44 44 GLY HA2 H 3.769 0.030 1 stop_ save_