data_10231 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C2H2 type zinc finger (region 598-626) of human B-cell lymphoma 6 protein ; _BMRB_accession_number 10231 _BMRB_flat_file_name bmr10231.str _Entry_type new _Submission_date 2008-08-19 _Accession_date 2008-08-20 _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" 185 "13C chemical shifts" 146 "15N chemical shifts" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-19 original author . 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 598-626) of human B-cell lymphoma 6 protein ; _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 'B-cell lymphoma 6 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'zf-C2H2, UNP residues 598-626' $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 598-626' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; GSSGSSGGEKPYKCETCGAR FVQVAHLRAHVLIHTGSGPS SG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 GLU 10 LYS 11 PRO 12 TYR 13 LYS 14 CYS 15 GLU 16 THR 17 CYS 18 GLY 19 ALA 20 ARG 21 PHE 22 VAL 23 GLN 24 VAL 25 ALA 26 HIS 27 LEU 28 ARG 29 ALA 30 HIS 31 VAL 32 LEU 33 ILE 34 HIS 35 THR 36 GLY 37 SER 38 GLY 39 PRO 40 SER 41 SER 42 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-12 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 2EN2 "Solution Structure Of The C2h2 Type Zinc Finger (Region 598- 626) Of Human B-Cell Lymphoma 6 Protein" 100.00 42 100.00 100.00 5.85e-20 REF XP_009692928 "PREDICTED: B-cell lymphoma 6 protein, partial [Cariama cristata]" 69.05 629 100.00 100.00 4.36e-10 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single coordination 'zf-C2H2, UNP residues 598-626' 14 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 598-626' 17 CYS SG 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 598-626' 30 HIS NE2 'ZINC ION' . . ZN single coordination 'zf-C2H2, UNP residues 598-626' 34 HIS NE2 'ZINC ION' . . ZN stop_ loop_ _Deleted_atom_mol_system_component_name _Deleted_atom_residue_seq_code _Deleted_atom_residue_label _Deleted_atom_name 'zf-C2H2, UNP residues 598-626' 14 CYS HG 'zf-C2H2, UNP residues 598-626' 17 CYS HG 'zf-C2H2, UNP residues 598-626' 30 HIS HE2 'zf-C2H2, UNP residues 598-626' 34 HIS HE2 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P070115-02 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . ZnCl2 0.05 mM . IDA 1 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRVIEW _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'zf-C2H2, UNP residues 598-626' _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 3.943 0.030 1 2 7 7 GLY HA3 H 3.943 0.030 1 3 7 7 GLY C C 174.561 0.300 1 4 7 7 GLY CA C 45.444 0.300 1 5 8 8 GLY H H 8.198 0.030 1 6 8 8 GLY HA2 H 3.922 0.030 1 7 8 8 GLY HA3 H 3.922 0.030 1 8 8 8 GLY C C 174.018 0.300 1 9 8 8 GLY CA C 45.107 0.300 1 10 8 8 GLY N N 108.415 0.300 1 11 9 9 GLU H H 8.350 0.030 1 12 9 9 GLU HA H 4.173 0.030 1 13 9 9 GLU HB2 H 1.929 0.030 1 14 9 9 GLU HB3 H 1.929 0.030 1 15 9 9 GLU HG2 H 2.240 0.030 2 16 9 9 GLU HG3 H 2.196 0.030 2 17 9 9 GLU C C 176.393 0.300 1 18 9 9 GLU CA C 56.942 0.300 1 19 9 9 GLU CB C 30.240 0.300 1 20 9 9 GLU CG C 36.208 0.300 1 21 9 9 GLU N N 120.444 0.300 1 22 10 10 LYS H H 8.332 0.030 1 23 10 10 LYS HA H 4.543 0.030 1 24 10 10 LYS HB2 H 1.394 0.030 2 25 10 10 LYS HB3 H 1.624 0.030 2 26 10 10 LYS HD2 H 1.433 0.030 1 27 10 10 LYS HD3 H 1.433 0.030 1 28 10 10 LYS HE2 H 2.876 0.030 1 29 10 10 LYS HE3 H 2.876 0.030 1 30 10 10 LYS HG2 H 1.357 0.030 2 31 10 10 LYS HG3 H 1.169 0.030 2 32 10 10 LYS C C 174.428 0.300 1 33 10 10 LYS CA C 53.930 0.300 1 34 10 10 LYS CB C 33.487 0.300 1 35 10 10 LYS CD C 29.825 0.300 1 36 10 10 LYS CE C 42.299 0.300 1 37 10 10 LYS CG C 25.146 0.300 1 38 10 10 LYS N N 121.692 0.300 1 39 11 11 PRO HA H 4.207 0.030 1 40 11 11 PRO HB2 H 2.009 0.030 2 41 11 11 PRO HB3 H 1.083 0.030 2 42 11 11 PRO HD2 H 3.734 0.030 1 43 11 11 PRO HD3 H 3.734 0.030 1 44 11 11 PRO HG2 H 1.582 0.030 2 45 11 11 PRO HG3 H 1.794 0.030 2 46 11 11 PRO C C 176.513 0.300 1 47 11 11 PRO CA C 63.793 0.300 1 48 11 11 PRO CB C 32.413 0.300 1 49 11 11 PRO CD C 50.702 0.300 1 50 11 11 PRO CG C 26.676 0.300 1 51 12 12 TYR H H 7.673 0.030 1 52 12 12 TYR HA H 4.713 0.030 1 53 12 12 TYR HB2 H 2.750 0.030 2 54 12 12 TYR HB3 H 3.056 0.030 2 55 12 12 TYR HD1 H 6.975 0.030 1 56 12 12 TYR HD2 H 6.975 0.030 1 57 12 12 TYR HE1 H 6.869 0.030 1 58 12 12 TYR HE2 H 6.869 0.030 1 59 12 12 TYR C C 174.235 0.300 1 60 12 12 TYR CA C 57.962 0.300 1 61 12 12 TYR CB C 39.042 0.300 1 62 12 12 TYR CD1 C 132.994 0.300 1 63 12 12 TYR CD2 C 132.994 0.300 1 64 12 12 TYR CE1 C 118.526 0.300 1 65 12 12 TYR CE2 C 118.526 0.300 1 66 12 12 TYR N N 117.472 0.300 1 67 13 13 LYS H H 8.748 0.030 1 68 13 13 LYS HA H 5.148 0.030 1 69 13 13 LYS HB2 H 1.471 0.030 2 70 13 13 LYS HB3 H 1.721 0.030 2 71 13 13 LYS HD2 H 1.616 0.030 2 72 13 13 LYS HD3 H 1.525 0.030 2 73 13 13 LYS HE2 H 2.883 0.030 1 74 13 13 LYS HE3 H 2.883 0.030 1 75 13 13 LYS HG2 H 1.166 0.030 2 76 13 13 LYS HG3 H 1.056 0.030 2 77 13 13 LYS C C 174.652 0.300 1 78 13 13 LYS CA C 54.661 0.300 1 79 13 13 LYS CB C 36.500 0.300 1 80 13 13 LYS CD C 29.646 0.300 1 81 13 13 LYS CE C 41.978 0.300 1 82 13 13 LYS CG C 24.260 0.300 1 83 13 13 LYS N N 124.877 0.300 1 84 14 14 CYS H H 9.450 0.030 1 85 14 14 CYS HA H 4.588 0.030 1 86 14 14 CYS HB2 H 2.841 0.030 2 87 14 14 CYS HB3 H 3.398 0.030 2 88 14 14 CYS C C 177.307 0.300 1 89 14 14 CYS CA C 59.198 0.300 1 90 14 14 CYS CB C 29.918 0.300 1 91 14 14 CYS N N 128.056 0.300 1 92 15 15 GLU H H 9.541 0.030 1 93 15 15 GLU HA H 4.161 0.030 1 94 15 15 GLU HB2 H 2.213 0.030 2 95 15 15 GLU HB3 H 2.062 0.030 2 96 15 15 GLU HG2 H 2.454 0.030 2 97 15 15 GLU HG3 H 2.393 0.030 2 98 15 15 GLU C C 176.855 0.300 1 99 15 15 GLU CA C 58.462 0.300 1 100 15 15 GLU CB C 29.612 0.300 1 101 15 15 GLU CG C 36.024 0.300 1 102 15 15 GLU N N 131.947 0.300 1 103 16 16 THR H H 8.761 0.030 1 104 16 16 THR HA H 4.016 0.030 1 105 16 16 THR HB H 3.333 0.030 1 106 16 16 THR HG2 H 0.582 0.030 1 107 16 16 THR C C 174.867 0.300 1 108 16 16 THR CA C 66.144 0.300 1 109 16 16 THR CB C 68.802 0.300 1 110 16 16 THR CG2 C 20.382 0.300 1 111 16 16 THR N N 118.440 0.300 1 112 17 17 CYS H H 8.259 0.030 1 113 17 17 CYS HA H 5.198 0.030 1 114 17 17 CYS HB2 H 2.720 0.030 2 115 17 17 CYS HB3 H 3.463 0.030 2 116 17 17 CYS C C 176.245 0.300 1 117 17 17 CYS CA C 58.242 0.300 1 118 17 17 CYS CB C 32.889 0.300 1 119 17 17 CYS N N 118.012 0.300 1 120 18 18 GLY H H 8.142 0.030 1 121 18 18 GLY HA2 H 3.685 0.030 2 122 18 18 GLY HA3 H 4.275 0.030 2 123 18 18 GLY C C 173.304 0.300 1 124 18 18 GLY CA C 46.166 0.300 1 125 18 18 GLY N N 113.635 0.300 1 126 19 19 ALA H H 8.257 0.030 1 127 19 19 ALA HA H 4.006 0.030 1 128 19 19 ALA HB H 0.984 0.030 1 129 19 19 ALA C C 175.055 0.300 1 130 19 19 ALA CA C 53.537 0.300 1 131 19 19 ALA CB C 19.738 0.300 1 132 19 19 ALA N N 125.690 0.300 1 133 20 20 ARG H H 7.669 0.030 1 134 20 20 ARG HA H 5.257 0.030 1 135 20 20 ARG HB2 H 1.380 0.030 2 136 20 20 ARG HB3 H 1.748 0.030 2 137 20 20 ARG HD2 H 3.190 0.030 1 138 20 20 ARG HD3 H 3.190 0.030 1 139 20 20 ARG HG2 H 1.304 0.030 2 140 20 20 ARG HG3 H 1.751 0.030 2 141 20 20 ARG C C 175.609 0.300 1 142 20 20 ARG CA C 54.238 0.300 1 143 20 20 ARG CB C 34.243 0.300 1 144 20 20 ARG CD C 43.340 0.300 1 145 20 20 ARG CG C 28.103 0.300 1 146 20 20 ARG N N 117.237 0.300 1 147 21 21 PHE H H 8.754 0.030 1 148 21 21 PHE HA H 4.856 0.030 1 149 21 21 PHE HB2 H 2.559 0.030 2 150 21 21 PHE HB3 H 3.577 0.030 2 151 21 21 PHE HD1 H 7.206 0.030 1 152 21 21 PHE HD2 H 7.206 0.030 1 153 21 21 PHE HE1 H 6.846 0.030 1 154 21 21 PHE HE2 H 6.846 0.030 1 155 21 21 PHE HZ H 6.238 0.030 1 156 21 21 PHE C C 175.009 0.300 1 157 21 21 PHE CA C 57.344 0.300 1 158 21 21 PHE CB C 44.452 0.300 1 159 21 21 PHE CD1 C 132.338 0.300 1 160 21 21 PHE CD2 C 132.338 0.300 1 161 21 21 PHE CE1 C 130.868 0.300 1 162 21 21 PHE CE2 C 130.868 0.300 1 163 21 21 PHE CZ C 129.313 0.300 1 164 21 21 PHE N N 116.093 0.300 1 165 22 22 VAL H H 9.432 0.030 1 166 22 22 VAL HA H 4.298 0.030 1 167 22 22 VAL HB H 2.315 0.030 1 168 22 22 VAL HG1 H 1.174 0.030 1 169 22 22 VAL HG2 H 1.238 0.030 1 170 22 22 VAL C C 175.477 0.300 1 171 22 22 VAL CA C 64.474 0.300 1 172 22 22 VAL CB C 33.259 0.300 1 173 22 22 VAL CG1 C 21.812 0.300 2 174 22 22 VAL CG2 C 22.169 0.300 2 175 22 22 VAL N N 119.283 0.300 1 176 23 23 GLN H H 7.243 0.030 1 177 23 23 GLN HA H 4.810 0.030 1 178 23 23 GLN HB2 H 1.991 0.030 2 179 23 23 GLN HB3 H 0.838 0.030 2 180 23 23 GLN HE21 H 6.877 0.030 2 181 23 23 GLN HE22 H 7.452 0.030 2 182 23 23 GLN HG2 H 2.250 0.030 2 183 23 23 GLN HG3 H 2.141 0.030 2 184 23 23 GLN C C 176.882 0.300 1 185 23 23 GLN CA C 53.454 0.300 1 186 23 23 GLN CB C 30.682 0.300 1 187 23 23 GLN CG C 33.495 0.300 1 188 23 23 GLN N N 113.909 0.300 1 189 23 23 GLN NE2 N 111.659 0.300 1 190 24 24 VAL H H 8.554 0.030 1 191 24 24 VAL HA H 2.960 0.030 1 192 24 24 VAL HB H 1.284 0.030 1 193 24 24 VAL HG1 H 0.728 0.030 1 194 24 24 VAL HG2 H 0.613 0.030 1 195 24 24 VAL C C 177.337 0.300 1 196 24 24 VAL CA C 65.388 0.300 1 197 24 24 VAL CB C 30.927 0.300 1 198 24 24 VAL CG1 C 19.772 0.300 2 199 24 24 VAL CG2 C 22.322 0.300 2 200 24 24 VAL N N 126.915 0.300 1 201 25 25 ALA H H 8.531 0.030 1 202 25 25 ALA HA H 3.933 0.030 1 203 25 25 ALA HB H 1.317 0.030 1 204 25 25 ALA C C 180.524 0.300 1 205 25 25 ALA CA C 55.073 0.300 1 206 25 25 ALA CB C 18.311 0.300 1 207 25 25 ALA N N 122.114 0.300 1 208 26 26 HIS H H 6.892 0.030 1 209 26 26 HIS HA H 4.436 0.030 1 210 26 26 HIS HB2 H 3.246 0.030 2 211 26 26 HIS HB3 H 3.433 0.030 2 212 26 26 HIS HD2 H 6.867 0.030 1 213 26 26 HIS HE1 H 7.832 0.030 1 214 26 26 HIS C C 178.267 0.300 1 215 26 26 HIS CA C 56.426 0.300 1 216 26 26 HIS CB C 31.750 0.300 1 217 26 26 HIS CD2 C 116.173 0.300 1 218 26 26 HIS CE1 C 139.144 0.300 1 219 26 26 HIS N N 115.625 0.300 1 220 27 27 LEU H H 6.854 0.030 1 221 27 27 LEU HA H 3.189 0.030 1 222 27 27 LEU HB2 H 1.993 0.030 2 223 27 27 LEU HB3 H 1.168 0.030 2 224 27 27 LEU HD1 H 1.027 0.030 1 225 27 27 LEU HD2 H 0.963 0.030 1 226 27 27 LEU HG H 1.600 0.030 1 227 27 27 LEU C C 177.246 0.300 1 228 27 27 LEU CA C 57.874 0.300 1 229 27 27 LEU CB C 40.685 0.300 1 230 27 27 LEU CD1 C 26.466 0.300 2 231 27 27 LEU CD2 C 23.156 0.300 2 232 27 27 LEU CG C 27.290 0.300 1 233 27 27 LEU N N 122.027 0.300 1 234 28 28 ARG H H 8.252 0.030 1 235 28 28 ARG HA H 3.867 0.030 1 236 28 28 ARG HB2 H 1.782 0.030 2 237 28 28 ARG HB3 H 1.735 0.030 2 238 28 28 ARG HD2 H 3.133 0.030 2 239 28 28 ARG HD3 H 3.044 0.030 2 240 28 28 ARG HG2 H 1.594 0.030 2 241 28 28 ARG HG3 H 1.709 0.030 2 242 28 28 ARG C C 178.248 0.300 1 243 28 28 ARG CA C 59.410 0.300 1 244 28 28 ARG CB C 29.762 0.300 1 245 28 28 ARG CD C 43.333 0.300 1 246 28 28 ARG CG C 27.782 0.300 1 247 28 28 ARG N N 117.010 0.300 1 248 29 29 ALA H H 7.223 0.030 1 249 29 29 ALA HA H 4.146 0.030 1 250 29 29 ALA HB H 1.402 0.030 1 251 29 29 ALA C C 179.428 0.300 1 252 29 29 ALA CA C 54.170 0.300 1 253 29 29 ALA CB C 18.345 0.300 1 254 29 29 ALA N N 118.170 0.300 1 255 30 30 HIS H H 7.527 0.030 1 256 30 30 HIS HA H 4.166 0.030 1 257 30 30 HIS HB2 H 2.863 0.030 2 258 30 30 HIS HB3 H 3.144 0.030 2 259 30 30 HIS HD2 H 7.012 0.030 1 260 30 30 HIS HE1 H 7.981 0.030 1 261 30 30 HIS C C 176.978 0.300 1 262 30 30 HIS CA C 59.490 0.300 1 263 30 30 HIS CB C 28.889 0.300 1 264 30 30 HIS CD2 C 127.192 0.300 1 265 30 30 HIS CE1 C 139.625 0.300 1 266 30 30 HIS N N 118.012 0.300 1 267 31 31 VAL H H 8.251 0.030 1 268 31 31 VAL HA H 3.659 0.030 1 269 31 31 VAL HB H 2.432 0.030 1 270 31 31 VAL HG1 H 1.397 0.030 1 271 31 31 VAL HG2 H 1.195 0.030 1 272 31 31 VAL C C 177.594 0.300 1 273 31 31 VAL CA C 65.958 0.300 1 274 31 31 VAL CB C 31.636 0.300 1 275 31 31 VAL CG1 C 22.169 0.300 2 276 31 31 VAL CG2 C 20.716 0.300 2 277 31 31 VAL N N 112.141 0.300 1 278 32 32 LEU H H 6.906 0.030 1 279 32 32 LEU HA H 4.135 0.030 1 280 32 32 LEU HB2 H 1.490 0.030 2 281 32 32 LEU HB3 H 1.719 0.030 2 282 32 32 LEU HD1 H 0.931 0.030 1 283 32 32 LEU HD2 H 0.841 0.030 1 284 32 32 LEU HG H 1.827 0.030 1 285 32 32 LEU C C 179.626 0.300 1 286 32 32 LEU CA C 56.826 0.300 1 287 32 32 LEU CB C 41.476 0.300 1 288 32 32 LEU CD1 C 25.147 0.300 2 289 32 32 LEU CD2 C 22.621 0.300 2 290 32 32 LEU CG C 26.640 0.300 1 291 32 32 LEU N N 119.239 0.300 1 292 33 33 ILE H H 7.880 0.030 1 293 33 33 ILE HA H 3.971 0.030 1 294 33 33 ILE HB H 1.711 0.030 1 295 33 33 ILE HD1 H 0.676 0.030 1 296 33 33 ILE HG12 H 0.707 0.030 2 297 33 33 ILE HG13 H 0.913 0.030 2 298 33 33 ILE HG2 H 0.595 0.030 1 299 33 33 ILE C C 177.546 0.300 1 300 33 33 ILE CA C 63.138 0.300 1 301 33 33 ILE CB C 37.587 0.300 1 302 33 33 ILE CD1 C 14.274 0.300 1 303 33 33 ILE CG1 C 26.298 0.300 1 304 33 33 ILE CG2 C 16.261 0.300 1 305 33 33 ILE N N 116.394 0.300 1 306 34 34 HIS H H 7.360 0.030 1 307 34 34 HIS HA H 4.882 0.030 1 308 34 34 HIS HB2 H 3.361 0.030 1 309 34 34 HIS HB3 H 3.361 0.030 1 310 34 34 HIS HD2 H 6.877 0.030 1 311 34 34 HIS HE1 H 8.116 0.030 1 312 34 34 HIS C C 175.699 0.300 1 313 34 34 HIS CA C 55.093 0.300 1 314 34 34 HIS CB C 28.461 0.300 1 315 34 34 HIS CD2 C 127.821 0.300 1 316 34 34 HIS CE1 C 140.367 0.300 1 317 34 34 HIS N N 117.627 0.300 1 318 35 35 THR H H 7.805 0.030 1 319 35 35 THR HA H 4.368 0.030 1 320 35 35 THR HB H 4.323 0.030 1 321 35 35 THR HG2 H 1.253 0.030 1 322 35 35 THR C C 175.388 0.300 1 323 35 35 THR CA C 62.548 0.300 1 324 35 35 THR CB C 69.779 0.300 1 325 35 35 THR CG2 C 21.479 0.300 1 326 35 35 THR N N 112.000 0.300 1 327 36 36 GLY H H 8.335 0.030 1 328 36 36 GLY HA2 H 4.049 0.030 1 329 36 36 GLY HA3 H 4.049 0.030 1 330 36 36 GLY C C 174.188 0.300 1 331 36 36 GLY CA C 45.444 0.300 1 332 36 36 GLY N N 111.103 0.300 1 333 37 37 SER H H 8.231 0.030 1 334 37 37 SER HA H 4.521 0.030 1 335 37 37 SER HB2 H 3.885 0.030 1 336 37 37 SER HB3 H 3.885 0.030 1 337 37 37 SER C C 174.567 0.300 1 338 37 37 SER CA C 58.242 0.300 1 339 37 37 SER CB C 64.018 0.300 1 340 37 37 SER N N 115.371 0.300 1 341 38 38 GLY H H 8.310 0.030 1 342 38 38 GLY HA2 H 4.158 0.030 2 343 38 38 GLY HA3 H 4.094 0.030 2 344 38 38 GLY C C 171.799 0.300 1 345 38 38 GLY CA C 44.671 0.300 1 346 38 38 GLY N N 110.735 0.300 1 347 39 39 PRO HA H 4.476 0.030 1 348 39 39 PRO HB2 H 1.978 0.030 2 349 39 39 PRO HB3 H 2.292 0.030 2 350 39 39 PRO HD2 H 3.629 0.030 1 351 39 39 PRO HD3 H 3.629 0.030 1 352 39 39 PRO HG2 H 2.012 0.030 1 353 39 39 PRO HG3 H 2.012 0.030 1 354 39 39 PRO C C 177.307 0.300 1 355 39 39 PRO CA C 63.131 0.300 1 356 39 39 PRO CB C 32.207 0.300 1 357 39 39 PRO CD C 49.805 0.300 1 358 39 39 PRO CG C 27.177 0.300 1 359 40 40 SER H H 8.520 0.030 1 360 40 40 SER C C 174.611 0.300 1 361 40 40 SER CA C 58.516 0.300 1 362 40 40 SER CB C 64.203 0.300 1 363 40 40 SER N N 116.387 0.300 1 stop_ save_