data_10243 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structures of the C2H2 type zinc finger domain of human Zinc finger protein 24 ; _BMRB_accession_number 10243 _BMRB_flat_file_name bmr10243.str _Entry_type new _Submission_date 2008-10-24 _Accession_date 2008-10-28 _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 Sato M. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 363 "13C chemical shifts" 268 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-03 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structures of the C2H2 type zinc finger domain of human Zinc finger protein 24 ; _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 Sato M. . . 2 Tomizawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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 24' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C2H2 type zinc finger domain' $entity_1 'ZINC ION no.1' $ZN 'ZINC ION no.2' $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 'C2H2 type zinc finger domain' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; GSSGSSGIHSGEKPYGCVEC GKAFSRSSILVQHQRVHTGE KPYKCLECGKAFSQNSGLIN HQRIHTSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ILE 9 HIS 10 SER 11 GLY 12 GLU 13 LYS 14 PRO 15 TYR 16 GLY 17 CYS 18 VAL 19 GLU 20 CYS 21 GLY 22 LYS 23 ALA 24 PHE 25 SER 26 ARG 27 SER 28 SER 29 ILE 30 LEU 31 VAL 32 GLN 33 HIS 34 GLN 35 ARG 36 VAL 37 HIS 38 THR 39 GLY 40 GLU 41 LYS 42 PRO 43 TYR 44 LYS 45 CYS 46 LEU 47 GLU 48 CYS 49 GLY 50 LYS 51 ALA 52 PHE 53 SER 54 GLN 55 ASN 56 SER 57 GLY 58 LEU 59 ILE 60 ASN 61 HIS 62 GLN 63 ARG 64 ILE 65 HIS 66 THR 67 SER 68 GLY 69 PRO 70 SER 71 SER 72 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 1X6E "Solution Structures Of The C2h2 Type Zinc Finger Domain Of Human Zinc Finger Protein 24" 100.00 72 100.00 100.00 1.18e-42 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 . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 05:48:03 2006 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 'C2H2 type zinc finger domain' 17 CYS SG 'ZINC ION no.1' . . ZN single coordination 'C2H2 type zinc finger domain' 20 CYS SG 'ZINC ION no.1' . . ZN single coordination 'C2H2 type zinc finger domain' 33 HIS NE2 'ZINC ION no.1' . . ZN single coordination 'C2H2 type zinc finger domain' 37 HIS NE2 'ZINC ION no.1' . . ZN single coordination 'C2H2 type zinc finger domain' 45 CYS SG 'ZINC ION no.2' . . ZN single coordination 'C2H2 type zinc finger domain' 48 CYS SG 'ZINC ION no.2' . . ZN single coordination 'C2H2 type zinc finger domain' 61 HIS NE2 'ZINC ION no.2' . . ZN single coordination 'C2H2 type zinc finger domain' 65 HIS NE2 'ZINC ION no.2' . . ZN stop_ loop_ _Deleted_atom_mol_system_component_name _Deleted_atom_residue_seq_code _Deleted_atom_residue_label _Deleted_atom_name 'C2H2 type zinc finger domain' 17 CYS HG 'C2H2 type zinc finger domain' 20 CYS HG 'C2H2 type zinc finger domain' 33 HIS HE2 'C2H2 type zinc finger domain' 37 HIS HE2 'C2H2 type zinc finger domain' 45 CYS HG 'C2H2 type zinc finger domain' 48 CYS HG 'C2H2 type zinc finger domain' 61 HIS HE2 'C2H2 type zinc finger domain' 65 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 P040712-01 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 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM . NaCl 100 mM . d-DTT 5 mM . NaN3 0.02 % . ZnCl2 0.01 mM . 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 20031121 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 0.9295 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 'structure solution' refinement 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 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 'C2H2 type zinc finger domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY HA2 H 3.957 0.030 1 2 7 7 GLY HA3 H 3.957 0.030 1 3 7 7 GLY C C 174.124 0.300 1 4 7 7 GLY CA C 45.359 0.300 1 5 8 8 ILE H H 7.939 0.030 1 6 8 8 ILE HA H 4.106 0.030 1 7 8 8 ILE HB H 1.760 0.030 1 8 8 8 ILE HD1 H 0.790 0.030 1 9 8 8 ILE HG12 H 1.263 0.030 2 10 8 8 ILE HG13 H 1.065 0.030 2 11 8 8 ILE HG2 H 0.779 0.030 1 12 8 8 ILE C C 176.213 0.300 1 13 8 8 ILE CA C 61.378 0.300 1 14 8 8 ILE CB C 38.603 0.300 1 15 8 8 ILE CD1 C 12.994 0.300 1 16 8 8 ILE CG1 C 27.037 0.300 1 17 8 8 ILE CG2 C 17.332 0.300 1 18 8 8 ILE N N 119.652 0.300 1 19 9 9 HIS H H 8.409 0.030 1 20 9 9 HIS C C 175.436 0.300 1 21 9 9 HIS CA C 56.065 0.300 1 22 9 9 HIS CB C 30.677 0.300 1 23 9 9 HIS N N 123.607 0.300 1 24 10 10 SER HA H 4.484 0.030 1 25 10 10 SER HB2 H 3.905 0.030 1 26 10 10 SER HB3 H 3.905 0.030 1 27 10 10 SER C C 174.981 0.300 1 28 10 10 SER CA C 58.621 0.300 1 29 10 10 SER CB C 63.732 0.300 1 30 11 11 GLY H H 8.447 0.030 1 31 11 11 GLY HA2 H 3.936 0.030 1 32 11 11 GLY HA3 H 3.936 0.030 1 33 11 11 GLY C C 174.112 0.300 1 34 11 11 GLY CA C 45.292 0.300 1 35 11 11 GLY N N 110.887 0.300 1 36 12 12 GLU H H 8.200 0.030 1 37 12 12 GLU HA H 4.174 0.030 1 38 12 12 GLU HB2 H 1.983 0.030 2 39 12 12 GLU HB3 H 1.899 0.030 2 40 12 12 GLU HG2 H 2.257 0.030 2 41 12 12 GLU HG3 H 2.195 0.030 2 42 12 12 GLU C C 176.545 0.300 1 43 12 12 GLU CA C 56.962 0.300 1 44 12 12 GLU CB C 30.388 0.300 1 45 12 12 GLU CG C 36.337 0.300 1 46 12 12 GLU N N 120.059 0.300 1 47 13 13 LYS H H 8.280 0.030 1 48 13 13 LYS HA H 4.434 0.030 1 49 13 13 LYS HB2 H 1.520 0.030 2 50 13 13 LYS HB3 H 1.330 0.030 2 51 13 13 LYS HD2 H 1.530 0.030 2 52 13 13 LYS HD3 H 1.452 0.030 2 53 13 13 LYS HE2 H 2.902 0.030 1 54 13 13 LYS HE3 H 2.902 0.030 1 55 13 13 LYS HG2 H 1.270 0.030 2 56 13 13 LYS HG3 H 1.106 0.030 2 57 13 13 LYS C C 173.760 0.300 1 58 13 13 LYS CA C 53.742 0.300 1 59 13 13 LYS CB C 33.067 0.300 1 60 13 13 LYS CD C 29.468 0.300 1 61 13 13 LYS CE C 42.366 0.300 1 62 13 13 LYS CG C 24.837 0.300 1 63 13 13 LYS N N 121.235 0.300 1 64 14 14 PRO HA H 4.268 0.030 1 65 14 14 PRO HB2 H 1.986 0.030 2 66 14 14 PRO HB3 H 1.212 0.030 2 67 14 14 PRO HD2 H 3.565 0.030 1 68 14 14 PRO HD3 H 3.565 0.030 1 69 14 14 PRO HG2 H 1.762 0.030 2 70 14 14 PRO HG3 H 1.569 0.030 2 71 14 14 PRO C C 176.391 0.300 1 72 14 14 PRO CA C 63.473 0.300 1 73 14 14 PRO CB C 32.243 0.300 1 74 14 14 PRO CD C 50.168 0.300 1 75 14 14 PRO CG C 26.585 0.300 1 76 15 15 TYR H H 7.898 0.030 1 77 15 15 TYR HA H 4.609 0.030 1 78 15 15 TYR HB2 H 2.911 0.030 2 79 15 15 TYR HB3 H 2.769 0.030 2 80 15 15 TYR HD1 H 7.004 0.030 1 81 15 15 TYR HD2 H 7.004 0.030 1 82 15 15 TYR HE1 H 6.873 0.030 1 83 15 15 TYR HE2 H 6.873 0.030 1 84 15 15 TYR C C 175.259 0.300 1 85 15 15 TYR CA C 57.252 0.300 1 86 15 15 TYR CB C 37.800 0.300 1 87 15 15 TYR CD1 C 133.181 0.300 1 88 15 15 TYR CD2 C 133.181 0.300 1 89 15 15 TYR CE1 C 118.417 0.300 1 90 15 15 TYR CE2 C 118.417 0.300 1 91 15 15 TYR N N 118.120 0.300 1 92 16 16 GLY H H 8.420 0.030 1 93 16 16 GLY HA2 H 4.634 0.030 2 94 16 16 GLY HA3 H 3.568 0.030 2 95 16 16 GLY C C 172.667 0.300 1 96 16 16 GLY CA C 44.599 0.300 1 97 16 16 GLY N N 111.924 0.300 1 98 17 17 CYS H H 9.142 0.030 1 99 17 17 CYS HA H 4.712 0.030 1 100 17 17 CYS HB2 H 3.421 0.030 2 101 17 17 CYS HB3 H 2.822 0.030 2 102 17 17 CYS C C 177.696 0.300 1 103 17 17 CYS CA C 58.694 0.300 1 104 17 17 CYS CB C 29.770 0.300 1 105 17 17 CYS N N 125.008 0.300 1 106 18 18 VAL H H 9.089 0.030 1 107 18 18 VAL HA H 4.003 0.030 1 108 18 18 VAL HB H 2.262 0.030 1 109 18 18 VAL HG1 H 1.044 0.030 1 110 18 18 VAL HG2 H 1.063 0.030 1 111 18 18 VAL C C 176.506 0.300 1 112 18 18 VAL CA C 64.407 0.300 1 113 18 18 VAL CB C 31.744 0.300 1 114 18 18 VAL CG1 C 21.071 0.300 2 115 18 18 VAL CG2 C 20.503 0.300 2 116 18 18 VAL N N 129.598 0.300 1 117 19 19 GLU H H 8.413 0.030 1 118 19 19 GLU HA H 4.187 0.030 1 119 19 19 GLU HB2 H 1.353 0.030 1 120 19 19 GLU HB3 H 1.353 0.030 1 121 19 19 GLU HG2 H 1.927 0.030 2 122 19 19 GLU HG3 H 1.827 0.030 2 123 19 19 GLU C C 177.385 0.300 1 124 19 19 GLU CA C 58.535 0.300 1 125 19 19 GLU CB C 29.358 0.300 1 126 19 19 GLU CG C 35.604 0.300 1 127 19 19 GLU N N 121.264 0.300 1 128 20 20 CYS H H 7.854 0.030 1 129 20 20 CYS HA H 5.142 0.030 1 130 20 20 CYS HB2 H 3.410 0.030 2 131 20 20 CYS HB3 H 2.835 0.030 2 132 20 20 CYS C C 176.237 0.300 1 133 20 20 CYS CA C 58.341 0.300 1 134 20 20 CYS CB C 32.531 0.300 1 135 20 20 CYS N N 113.736 0.300 1 136 21 21 GLY H H 8.281 0.030 1 137 21 21 GLY HA2 H 4.216 0.030 2 138 21 21 GLY HA3 H 3.784 0.030 2 139 21 21 GLY C C 174.288 0.300 1 140 21 21 GLY CA C 46.159 0.300 1 141 21 21 GLY N N 113.574 0.300 1 142 22 22 LYS H H 7.891 0.030 1 143 22 22 LYS HA H 3.989 0.030 1 144 22 22 LYS HB2 H 1.320 0.030 2 145 22 22 LYS HB3 H 1.227 0.030 2 146 22 22 LYS HD2 H 1.537 0.030 1 147 22 22 LYS HD3 H 1.537 0.030 1 148 22 22 LYS HE2 H 2.985 0.030 2 149 22 22 LYS HE3 H 2.919 0.030 2 150 22 22 LYS HG2 H 1.523 0.030 2 151 22 22 LYS HG3 H 1.192 0.030 2 152 22 22 LYS C C 173.452 0.300 1 153 22 22 LYS CA C 57.789 0.300 1 154 22 22 LYS CB C 34.125 0.300 1 155 22 22 LYS CD C 29.275 0.300 1 156 22 22 LYS CE C 42.231 0.300 1 157 22 22 LYS CG C 26.494 0.300 1 158 22 22 LYS N N 122.877 0.300 1 159 23 23 ALA H H 7.645 0.030 1 160 23 23 ALA HA H 4.925 0.030 1 161 23 23 ALA HB H 1.124 0.030 1 162 23 23 ALA C C 175.868 0.300 1 163 23 23 ALA CA C 50.523 0.300 1 164 23 23 ALA CB C 22.145 0.300 1 165 23 23 ALA N N 122.280 0.300 1 166 24 24 PHE H H 8.337 0.030 1 167 24 24 PHE HA H 4.890 0.030 1 168 24 24 PHE HB2 H 3.313 0.030 2 169 24 24 PHE HB3 H 2.693 0.030 2 170 24 24 PHE HD1 H 7.273 0.030 1 171 24 24 PHE HD2 H 7.273 0.030 1 172 24 24 PHE HE1 H 6.804 0.030 1 173 24 24 PHE HE2 H 6.804 0.030 1 174 24 24 PHE HZ H 6.072 0.030 1 175 24 24 PHE C C 175.994 0.300 1 176 24 24 PHE CA C 56.926 0.300 1 177 24 24 PHE CB C 43.626 0.300 1 178 24 24 PHE CD1 C 132.751 0.300 1 179 24 24 PHE CD2 C 132.751 0.300 1 180 24 24 PHE CE1 C 130.487 0.300 1 181 24 24 PHE CE2 C 130.487 0.300 1 182 24 24 PHE CZ C 128.700 0.300 1 183 24 24 PHE N N 116.352 0.300 1 184 25 25 SER H H 9.344 0.030 1 185 25 25 SER HA H 4.612 0.030 1 186 25 25 SER HB2 H 4.128 0.030 2 187 25 25 SER HB3 H 4.050 0.030 2 188 25 25 SER C C 174.148 0.300 1 189 25 25 SER CA C 60.554 0.300 1 190 25 25 SER CB C 64.329 0.300 1 191 25 25 SER N N 115.148 0.300 1 192 26 26 ARG H H 7.040 0.030 1 193 26 26 ARG HA H 4.719 0.030 1 194 26 26 ARG HB2 H 2.025 0.030 2 195 26 26 ARG HB3 H 1.528 0.030 2 196 26 26 ARG HD2 H 3.272 0.030 2 197 26 26 ARG HD3 H 3.190 0.030 2 198 26 26 ARG HG2 H 1.714 0.030 1 199 26 26 ARG HG3 H 1.714 0.030 1 200 26 26 ARG C C 176.116 0.300 1 201 26 26 ARG CA C 54.417 0.300 1 202 26 26 ARG CB C 34.587 0.300 1 203 26 26 ARG CD C 43.470 0.300 1 204 26 26 ARG CG C 27.014 0.300 1 205 26 26 ARG N N 115.877 0.300 1 206 27 27 SER H H 8.441 0.030 1 207 27 27 SER HA H 3.278 0.030 1 208 27 27 SER HB2 H 3.528 0.030 2 209 27 27 SER HB3 H 3.326 0.030 2 210 27 27 SER CA C 61.160 0.300 1 211 27 27 SER CB C 61.910 0.300 1 212 27 27 SER N N 120.683 0.300 1 213 28 28 SER HA H 3.969 0.030 1 214 28 28 SER HB2 H 3.830 0.030 1 215 28 28 SER HB3 H 3.830 0.030 1 216 28 28 SER C C 176.640 0.300 1 217 28 28 SER CA C 61.029 0.300 1 218 28 28 SER CB C 61.506 0.300 1 219 29 29 ILE H H 6.628 0.030 1 220 29 29 ILE HA H 3.725 0.030 1 221 29 29 ILE HB H 1.818 0.030 1 222 29 29 ILE HD1 H 0.933 0.030 1 223 29 29 ILE HG12 H 1.557 0.030 2 224 29 29 ILE HG13 H 1.114 0.030 2 225 29 29 ILE HG2 H 0.908 0.030 1 226 29 29 ILE C C 178.108 0.300 1 227 29 29 ILE CA C 63.470 0.300 1 228 29 29 ILE CB C 38.013 0.300 1 229 29 29 ILE CD1 C 12.510 0.300 1 230 29 29 ILE CG1 C 28.326 0.300 1 231 29 29 ILE CG2 C 18.669 0.300 1 232 29 29 ILE N N 122.549 0.300 1 233 30 30 LEU H H 7.003 0.030 1 234 30 30 LEU HA H 3.511 0.030 1 235 30 30 LEU HB2 H 2.123 0.030 2 236 30 30 LEU HB3 H 1.415 0.030 2 237 30 30 LEU HD1 H 1.034 0.030 1 238 30 30 LEU HD2 H 1.069 0.030 1 239 30 30 LEU HG H 1.552 0.030 1 240 30 30 LEU C C 177.880 0.300 1 241 30 30 LEU CA C 58.394 0.300 1 242 30 30 LEU CB C 40.239 0.300 1 243 30 30 LEU CD1 C 26.347 0.300 2 244 30 30 LEU CD2 C 22.892 0.300 2 245 30 30 LEU CG C 27.725 0.300 1 246 30 30 LEU N N 122.518 0.300 1 247 31 31 VAL H H 8.203 0.030 1 248 31 31 VAL HA H 3.709 0.030 1 249 31 31 VAL HB H 1.974 0.030 1 250 31 31 VAL HG1 H 0.983 0.030 1 251 31 31 VAL HG2 H 0.877 0.030 1 252 31 31 VAL C C 179.070 0.300 1 253 31 31 VAL CA C 66.618 0.300 1 254 31 31 VAL CB C 31.624 0.300 1 255 31 31 VAL CG1 C 22.681 0.300 2 256 31 31 VAL CG2 C 21.054 0.300 2 257 31 31 VAL N N 118.600 0.300 1 258 32 32 GLN H H 7.323 0.030 1 259 32 32 GLN HA H 3.927 0.030 1 260 32 32 GLN HB2 H 2.060 0.030 1 261 32 32 GLN HB3 H 2.060 0.030 1 262 32 32 GLN HE21 H 7.410 0.030 2 263 32 32 GLN HE22 H 6.817 0.030 2 264 32 32 GLN HG2 H 2.438 0.030 2 265 32 32 GLN HG3 H 2.345 0.030 2 266 32 32 GLN C C 178.751 0.300 1 267 32 32 GLN CA C 58.772 0.300 1 268 32 32 GLN CB C 28.368 0.300 1 269 32 32 GLN CG C 33.726 0.300 1 270 32 32 GLN N N 118.113 0.300 1 271 32 32 GLN NE2 N 112.020 0.300 1 272 33 33 HIS H H 8.046 0.030 1 273 33 33 HIS HA H 4.148 0.030 1 274 33 33 HIS HB2 H 3.213 0.030 2 275 33 33 HIS HB3 H 2.690 0.030 2 276 33 33 HIS HD2 H 6.912 0.030 1 277 33 33 HIS HE1 H 8.013 0.030 1 278 33 33 HIS C C 176.164 0.300 1 279 33 33 HIS CA C 59.033 0.300 1 280 33 33 HIS CB C 27.726 0.300 1 281 33 33 HIS CD2 C 127.173 0.300 1 282 33 33 HIS CE1 C 139.611 0.300 1 283 33 33 HIS N N 120.097 0.300 1 284 34 34 GLN H H 8.348 0.030 1 285 34 34 GLN HA H 3.630 0.030 1 286 34 34 GLN HB2 H 2.322 0.030 2 287 34 34 GLN HB3 H 2.196 0.030 2 288 34 34 GLN HE21 H 7.611 0.030 2 289 34 34 GLN HE22 H 7.016 0.030 2 290 34 34 GLN HG2 H 2.866 0.030 2 291 34 34 GLN HG3 H 2.824 0.030 2 292 34 34 GLN C C 177.457 0.300 1 293 34 34 GLN CA C 59.367 0.300 1 294 34 34 GLN CB C 28.158 0.300 1 295 34 34 GLN CG C 35.458 0.300 1 296 34 34 GLN N N 115.621 0.300 1 297 34 34 GLN NE2 N 112.146 0.300 1 298 35 35 ARG H H 7.167 0.030 1 299 35 35 ARG HA H 4.094 0.030 1 300 35 35 ARG HB2 H 1.869 0.030 2 301 35 35 ARG HB3 H 1.782 0.030 2 302 35 35 ARG HD2 H 3.183 0.030 1 303 35 35 ARG HD3 H 3.183 0.030 1 304 35 35 ARG HG2 H 1.816 0.030 2 305 35 35 ARG HG3 H 1.658 0.030 2 306 35 35 ARG C C 178.544 0.300 1 307 35 35 ARG CA C 58.553 0.300 1 308 35 35 ARG CB C 30.016 0.300 1 309 35 35 ARG CD C 43.453 0.300 1 310 35 35 ARG CG C 27.544 0.300 1 311 35 35 ARG N N 117.694 0.300 1 312 36 36 VAL H H 7.878 0.030 1 313 36 36 VAL HA H 3.885 0.030 1 314 36 36 VAL HB H 1.909 0.030 1 315 36 36 VAL HG1 H 0.614 0.030 1 316 36 36 VAL HG2 H 0.489 0.030 1 317 36 36 VAL C C 177.246 0.300 1 318 36 36 VAL CA C 63.924 0.300 1 319 36 36 VAL CB C 31.137 0.300 1 320 36 36 VAL CG1 C 19.813 0.300 2 321 36 36 VAL CG2 C 19.586 0.300 2 322 36 36 VAL N N 116.056 0.300 1 323 37 37 HIS H H 7.151 0.030 1 324 37 37 HIS HA H 4.877 0.030 1 325 37 37 HIS HB2 H 3.316 0.030 2 326 37 37 HIS HB3 H 3.197 0.030 2 327 37 37 HIS HD2 H 6.692 0.030 1 328 37 37 HIS HE1 H 8.023 0.030 1 329 37 37 HIS C C 175.769 0.300 1 330 37 37 HIS CA C 55.034 0.300 1 331 37 37 HIS CB C 28.415 0.300 1 332 37 37 HIS CD2 C 127.533 0.300 1 333 37 37 HIS CE1 C 139.907 0.300 1 334 37 37 HIS N N 117.486 0.300 1 335 38 38 THR H H 7.769 0.030 1 336 38 38 THR HA H 4.288 0.030 1 337 38 38 THR HB H 4.274 0.030 1 338 38 38 THR HG2 H 1.211 0.030 1 339 38 38 THR C C 175.391 0.300 1 340 38 38 THR CA C 62.697 0.300 1 341 38 38 THR CB C 69.738 0.300 1 342 38 38 THR CG2 C 21.580 0.300 1 343 38 38 THR N N 112.779 0.300 1 344 39 39 GLY H H 8.251 0.030 1 345 39 39 GLY HA2 H 3.994 0.030 2 346 39 39 GLY HA3 H 3.920 0.030 2 347 39 39 GLY C C 174.076 0.300 1 348 39 39 GLY CA C 45.288 0.300 1 349 39 39 GLY N N 110.331 0.300 1 350 40 40 GLU H H 8.076 0.030 1 351 40 40 GLU HA H 4.139 0.030 1 352 40 40 GLU HB2 H 1.946 0.030 1 353 40 40 GLU HB3 H 1.946 0.030 1 354 40 40 GLU HG2 H 2.268 0.030 2 355 40 40 GLU HG3 H 2.193 0.030 2 356 40 40 GLU C C 176.602 0.300 1 357 40 40 GLU CA C 56.915 0.300 1 358 40 40 GLU CB C 30.414 0.300 1 359 40 40 GLU CG C 36.274 0.300 1 360 40 40 GLU N N 120.155 0.300 1 361 41 41 LYS H H 8.274 0.030 1 362 41 41 LYS HA H 4.496 0.030 1 363 41 41 LYS HB2 H 1.539 0.030 2 364 41 41 LYS HB3 H 1.302 0.030 2 365 41 41 LYS HD2 H 1.465 0.030 2 366 41 41 LYS HD3 H 1.406 0.030 2 367 41 41 LYS HE2 H 2.901 0.030 1 368 41 41 LYS HE3 H 2.901 0.030 1 369 41 41 LYS HG2 H 1.295 0.030 2 370 41 41 LYS HG3 H 1.105 0.030 2 371 41 41 LYS C C 173.906 0.300 1 372 41 41 LYS CA C 53.865 0.300 1 373 41 41 LYS CB C 33.372 0.300 1 374 41 41 LYS CD C 29.591 0.300 1 375 41 41 LYS CE C 42.317 0.300 1 376 41 41 LYS CG C 24.878 0.300 1 377 41 41 LYS N N 121.689 0.300 1 378 42 42 PRO HA H 4.253 0.030 1 379 42 42 PRO HB2 H 2.010 0.030 2 380 42 42 PRO HB3 H 1.184 0.030 2 381 42 42 PRO HD2 H 3.694 0.030 2 382 42 42 PRO HD3 H 3.637 0.030 2 383 42 42 PRO HG2 H 1.779 0.030 2 384 42 42 PRO HG3 H 1.568 0.030 2 385 42 42 PRO C C 176.660 0.300 1 386 42 42 PRO CA C 63.718 0.300 1 387 42 42 PRO CB C 32.320 0.300 1 388 42 42 PRO CD C 50.317 0.300 1 389 42 42 PRO CG C 26.555 0.300 1 390 43 43 TYR H H 7.693 0.030 1 391 43 43 TYR HA H 4.600 0.030 1 392 43 43 TYR HB2 H 2.944 0.030 2 393 43 43 TYR HB3 H 2.897 0.030 2 394 43 43 TYR HD1 H 7.008 0.030 1 395 43 43 TYR HD2 H 7.008 0.030 1 396 43 43 TYR HE1 H 6.870 0.030 1 397 43 43 TYR HE2 H 6.870 0.030 1 398 43 43 TYR C C 174.460 0.300 1 399 43 43 TYR CA C 57.722 0.300 1 400 43 43 TYR CB C 37.840 0.300 1 401 43 43 TYR CD1 C 133.472 0.300 1 402 43 43 TYR CD2 C 133.472 0.300 1 403 43 43 TYR CE1 C 118.266 0.300 1 404 43 43 TYR CE2 C 118.266 0.300 1 405 43 43 TYR N N 118.327 0.300 1 406 44 44 LYS H H 8.335 0.030 1 407 44 44 LYS HA H 4.826 0.030 1 408 44 44 LYS HB2 H 1.664 0.030 2 409 44 44 LYS HB3 H 1.602 0.030 2 410 44 44 LYS HD2 H 1.575 0.030 1 411 44 44 LYS HD3 H 1.575 0.030 1 412 44 44 LYS HE2 H 2.913 0.030 1 413 44 44 LYS HE3 H 2.913 0.030 1 414 44 44 LYS HG2 H 1.178 0.030 1 415 44 44 LYS HG3 H 1.178 0.030 1 416 44 44 LYS C C 174.679 0.300 1 417 44 44 LYS CA C 55.423 0.300 1 418 44 44 LYS CB C 35.380 0.300 1 419 44 44 LYS CD C 29.361 0.300 1 420 44 44 LYS CE C 42.052 0.300 1 421 44 44 LYS CG C 24.989 0.300 1 422 44 44 LYS N N 125.187 0.300 1 423 45 45 CYS H H 9.250 0.030 1 424 45 45 CYS HA H 4.536 0.030 1 425 45 45 CYS HB2 H 3.416 0.030 2 426 45 45 CYS HB3 H 2.830 0.030 2 427 45 45 CYS C C 177.400 0.300 1 428 45 45 CYS CA C 59.384 0.300 1 429 45 45 CYS CB C 29.482 0.300 1 430 45 45 CYS N N 126.431 0.300 1 431 46 46 LEU H H 9.297 0.030 1 432 46 46 LEU HA H 4.192 0.030 1 433 46 46 LEU HB2 H 1.830 0.030 2 434 46 46 LEU HB3 H 1.622 0.030 2 435 46 46 LEU HD1 H 0.977 0.030 1 436 46 46 LEU HD2 H 0.871 0.030 1 437 46 46 LEU HG H 1.828 0.030 1 438 46 46 LEU C C 177.806 0.300 1 439 46 46 LEU CA C 56.944 0.300 1 440 46 46 LEU CB C 41.269 0.300 1 441 46 46 LEU CD1 C 25.001 0.300 2 442 46 46 LEU CD2 C 22.799 0.300 2 443 46 46 LEU CG C 27.239 0.300 1 444 46 46 LEU N N 132.501 0.300 1 445 47 47 GLU H H 8.568 0.030 1 446 47 47 GLU HA H 4.161 0.030 1 447 47 47 GLU HB2 H 1.424 0.030 2 448 47 47 GLU HB3 H 1.350 0.030 2 449 47 47 GLU HG2 H 1.878 0.030 2 450 47 47 GLU HG3 H 1.724 0.030 2 451 47 47 GLU C C 177.358 0.300 1 452 47 47 GLU CA C 58.545 0.300 1 453 47 47 GLU CB C 29.500 0.300 1 454 47 47 GLU CG C 35.540 0.300 1 455 47 47 GLU N N 120.165 0.300 1 456 48 48 CYS H H 7.979 0.030 1 457 48 48 CYS HA H 5.182 0.030 1 458 48 48 CYS HB2 H 3.428 0.030 2 459 48 48 CYS HB3 H 2.846 0.030 2 460 48 48 CYS C C 176.224 0.300 1 461 48 48 CYS CA C 58.210 0.300 1 462 48 48 CYS CB C 32.531 0.300 1 463 48 48 CYS N N 114.531 0.300 1 464 49 49 GLY H H 8.156 0.030 1 465 49 49 GLY HA2 H 4.273 0.030 2 466 49 49 GLY HA3 H 3.771 0.030 2 467 49 49 GLY C C 173.907 0.300 1 468 49 49 GLY CA C 46.207 0.300 1 469 49 49 GLY N N 113.613 0.300 1 470 50 50 LYS H H 7.961 0.030 1 471 50 50 LYS HA H 3.936 0.030 1 472 50 50 LYS HB2 H 1.362 0.030 2 473 50 50 LYS HB3 H 1.223 0.030 2 474 50 50 LYS HD2 H 1.486 0.030 1 475 50 50 LYS HD3 H 1.486 0.030 1 476 50 50 LYS HE2 H 2.964 0.030 1 477 50 50 LYS HE3 H 2.964 0.030 1 478 50 50 LYS HG2 H 1.417 0.030 2 479 50 50 LYS HG3 H 1.151 0.030 2 480 50 50 LYS C C 173.571 0.300 1 481 50 50 LYS CA C 58.199 0.300 1 482 50 50 LYS CB C 33.479 0.300 1 483 50 50 LYS CD C 29.275 0.300 1 484 50 50 LYS CE C 42.217 0.300 1 485 50 50 LYS CG C 26.305 0.300 1 486 50 50 LYS N N 123.259 0.300 1 487 51 51 ALA H H 7.740 0.030 1 488 51 51 ALA HA H 5.179 0.030 1 489 51 51 ALA HB H 1.197 0.030 1 490 51 51 ALA C C 175.844 0.300 1 491 51 51 ALA CA C 50.329 0.300 1 492 51 51 ALA CB C 22.741 0.300 1 493 51 51 ALA N N 123.792 0.300 1 494 52 52 PHE H H 8.698 0.030 1 495 52 52 PHE HA H 4.653 0.030 1 496 52 52 PHE HB2 H 3.577 0.030 2 497 52 52 PHE HB3 H 2.722 0.030 2 498 52 52 PHE HD1 H 7.241 0.030 1 499 52 52 PHE HD2 H 7.241 0.030 1 500 52 52 PHE HE1 H 6.827 0.030 1 501 52 52 PHE HE2 H 6.827 0.030 1 502 52 52 PHE HZ H 6.367 0.030 1 503 52 52 PHE C C 175.640 0.300 1 504 52 52 PHE CA C 57.636 0.300 1 505 52 52 PHE CB C 43.314 0.300 1 506 52 52 PHE CD1 C 131.890 0.300 1 507 52 52 PHE CD2 C 131.890 0.300 1 508 52 52 PHE CE1 C 130.770 0.300 1 509 52 52 PHE CE2 C 130.770 0.300 1 510 52 52 PHE CZ C 128.920 0.300 1 511 52 52 PHE N N 116.792 0.300 1 512 53 53 SER H H 9.246 0.030 1 513 53 53 SER HA H 4.627 0.030 1 514 53 53 SER HB2 H 4.088 0.030 1 515 53 53 SER HB3 H 4.088 0.030 1 516 53 53 SER C C 173.837 0.300 1 517 53 53 SER CA C 60.959 0.300 1 518 53 53 SER CB C 64.077 0.300 1 519 53 53 SER N N 116.932 0.300 1 520 54 54 GLN H H 7.873 0.030 1 521 54 54 GLN HA H 4.774 0.030 1 522 54 54 GLN HB2 H 2.230 0.030 2 523 54 54 GLN HB3 H 1.910 0.030 2 524 54 54 GLN HE21 H 7.558 0.030 2 525 54 54 GLN HE22 H 6.934 0.030 2 526 54 54 GLN HG2 H 2.414 0.030 1 527 54 54 GLN HG3 H 2.414 0.030 1 528 54 54 GLN C C 176.112 0.300 1 529 54 54 GLN CA C 53.972 0.300 1 530 54 54 GLN CB C 32.160 0.300 1 531 54 54 GLN CG C 33.652 0.300 1 532 54 54 GLN N N 116.030 0.300 1 533 54 54 GLN NE2 N 112.505 0.300 1 534 55 55 ASN H H 8.494 0.030 1 535 55 55 ASN HA H 3.540 0.030 1 536 55 55 ASN HB2 H 2.385 0.030 2 537 55 55 ASN HB3 H 1.987 0.030 2 538 55 55 ASN HD21 H 7.238 0.030 2 539 55 55 ASN HD22 H 6.740 0.030 2 540 55 55 ASN C C 177.306 0.300 1 541 55 55 ASN CA C 56.094 0.300 1 542 55 55 ASN CB C 38.260 0.300 1 543 55 55 ASN N N 124.248 0.300 1 544 55 55 ASN ND2 N 111.761 0.300 1 545 56 56 SER HA H 3.867 0.030 1 546 56 56 SER HB2 H 3.798 0.030 1 547 56 56 SER HB3 H 3.798 0.030 1 548 56 56 SER C C 176.822 0.300 1 549 56 56 SER CA C 60.888 0.300 1 550 56 56 SER CB C 61.588 0.300 1 551 57 57 GLY H H 7.104 0.030 1 552 57 57 GLY HA2 H 3.893 0.030 2 553 57 57 GLY HA3 H 3.718 0.030 2 554 57 57 GLY C C 175.641 0.300 1 555 57 57 GLY CA C 46.508 0.300 1 556 57 57 GLY N N 109.816 0.300 1 557 58 58 LEU H H 6.781 0.030 1 558 58 58 LEU HA H 3.288 0.030 1 559 58 58 LEU HB2 H 2.072 0.030 2 560 58 58 LEU HB3 H 1.269 0.030 2 561 58 58 LEU HD1 H 1.028 0.030 1 562 58 58 LEU HD2 H 1.035 0.030 1 563 58 58 LEU HG H 1.490 0.030 1 564 58 58 LEU C C 177.650 0.300 1 565 58 58 LEU CA C 57.726 0.300 1 566 58 58 LEU CB C 40.656 0.300 1 567 58 58 LEU CD1 C 22.792 0.300 2 568 58 58 LEU CD2 C 26.210 0.300 2 569 58 58 LEU CG C 27.462 0.300 1 570 58 58 LEU N N 124.058 0.300 1 571 59 59 ILE H H 8.281 0.030 1 572 59 59 ILE HA H 3.686 0.030 1 573 59 59 ILE HB H 1.656 0.030 1 574 59 59 ILE HD1 H 0.687 0.030 1 575 59 59 ILE HG12 H 1.421 0.030 2 576 59 59 ILE HG13 H 1.139 0.030 2 577 59 59 ILE HG2 H 0.812 0.030 1 578 59 59 ILE C C 179.220 0.300 1 579 59 59 ILE CA C 64.389 0.300 1 580 59 59 ILE CB C 37.545 0.300 1 581 59 59 ILE CD1 C 12.377 0.300 1 582 59 59 ILE CG1 C 28.616 0.300 1 583 59 59 ILE CG2 C 17.110 0.300 1 584 59 59 ILE N N 119.575 0.300 1 585 60 60 ASN H H 7.677 0.030 1 586 60 60 ASN HA H 4.326 0.030 1 587 60 60 ASN HB2 H 2.719 0.030 2 588 60 60 ASN HB3 H 2.682 0.030 2 589 60 60 ASN HD21 H 7.638 0.030 2 590 60 60 ASN HD22 H 6.934 0.030 2 591 60 60 ASN C C 177.688 0.300 1 592 60 60 ASN CA C 56.183 0.300 1 593 60 60 ASN CB C 38.549 0.300 1 594 60 60 ASN N N 116.791 0.300 1 595 60 60 ASN ND2 N 113.362 0.300 1 596 61 61 HIS H H 7.526 0.030 1 597 61 61 HIS HA H 4.172 0.030 1 598 61 61 HIS HB2 H 3.096 0.030 2 599 61 61 HIS HB3 H 2.860 0.030 2 600 61 61 HIS HD2 H 6.913 0.030 1 601 61 61 HIS C C 176.063 0.300 1 602 61 61 HIS CA C 58.924 0.300 1 603 61 61 HIS CB C 29.110 0.300 1 604 61 61 HIS CD2 C 127.178 0.300 1 605 61 61 HIS N N 119.310 0.300 1 606 62 62 GLN H H 8.345 0.030 1 607 62 62 GLN HA H 3.631 0.030 1 608 62 62 GLN HB2 H 2.307 0.030 2 609 62 62 GLN HB3 H 2.179 0.030 2 610 62 62 GLN HE21 H 7.558 0.030 2 611 62 62 GLN HE22 H 6.953 0.030 2 612 62 62 GLN HG2 H 2.824 0.030 2 613 62 62 GLN HG3 H 2.765 0.030 2 614 62 62 GLN C C 177.302 0.300 1 615 62 62 GLN CA C 59.260 0.300 1 616 62 62 GLN CB C 28.161 0.300 1 617 62 62 GLN CG C 35.238 0.300 1 618 62 62 GLN N N 115.573 0.300 1 619 62 62 GLN NE2 N 111.738 0.300 1 620 63 63 ARG H H 7.029 0.030 1 621 63 63 ARG HA H 4.091 0.030 1 622 63 63 ARG HB2 H 1.843 0.030 2 623 63 63 ARG HB3 H 1.773 0.030 2 624 63 63 ARG HD2 H 3.210 0.030 1 625 63 63 ARG HD3 H 3.210 0.030 1 626 63 63 ARG HG2 H 1.785 0.030 2 627 63 63 ARG HG3 H 1.655 0.030 2 628 63 63 ARG C C 178.257 0.300 1 629 63 63 ARG CA C 58.505 0.300 1 630 63 63 ARG CB C 30.046 0.300 1 631 63 63 ARG CD C 43.382 0.300 1 632 63 63 ARG CG C 27.543 0.300 1 633 63 63 ARG N N 117.521 0.300 1 634 64 64 ILE H H 7.763 0.030 1 635 64 64 ILE HA H 3.988 0.030 1 636 64 64 ILE HB H 1.678 0.030 1 637 64 64 ILE HD1 H 0.683 0.030 1 638 64 64 ILE HG12 H 0.916 0.030 2 639 64 64 ILE HG13 H 0.687 0.030 2 640 64 64 ILE HG2 H 0.534 0.030 1 641 64 64 ILE C C 177.138 0.300 1 642 64 64 ILE CA C 62.780 0.300 1 643 64 64 ILE CB C 37.760 0.300 1 644 64 64 ILE CD1 C 14.436 0.300 1 645 64 64 ILE CG1 C 26.598 0.300 1 646 64 64 ILE CG2 C 16.581 0.300 1 647 64 64 ILE N N 115.601 0.300 1 648 65 65 HIS H H 7.261 0.030 1 649 65 65 HIS HA H 4.867 0.030 1 650 65 65 HIS HB2 H 3.365 0.030 2 651 65 65 HIS HB3 H 3.173 0.030 2 652 65 65 HIS HD2 H 6.727 0.030 1 653 65 65 HIS HE1 H 7.999 0.030 1 654 65 65 HIS C C 175.314 0.300 1 655 65 65 HIS CA C 54.927 0.300 1 656 65 65 HIS CB C 28.723 0.300 1 657 65 65 HIS CD2 C 127.509 0.300 1 658 65 65 HIS CE1 C 139.708 0.300 1 659 65 65 HIS N N 118.018 0.300 1 660 66 66 THR H H 7.717 0.030 1 661 66 66 THR HA H 4.433 0.030 1 662 66 66 THR HB H 4.290 0.030 1 663 66 66 THR HG2 H 1.213 0.030 1 664 66 66 THR C C 174.569 0.300 1 665 66 66 THR CA C 61.984 0.300 1 666 66 66 THR CB C 69.832 0.300 1 667 66 66 THR CG2 C 21.533 0.300 1 668 66 66 THR N N 112.598 0.300 1 669 67 67 SER H H 8.272 0.030 1 670 67 67 SER HA H 4.540 0.030 1 671 67 67 SER HB2 H 3.885 0.030 1 672 67 67 SER HB3 H 3.885 0.030 1 673 67 67 SER C C 174.531 0.300 1 674 67 67 SER CA C 58.517 0.300 1 675 67 67 SER CB C 64.041 0.300 1 676 67 67 SER N N 117.832 0.300 1 677 68 68 GLY H H 8.223 0.030 1 678 68 68 GLY HA2 H 4.153 0.030 2 679 68 68 GLY HA3 H 4.101 0.030 2 680 68 68 GLY C C 171.817 0.300 1 681 68 68 GLY CA C 44.704 0.300 1 682 68 68 GLY N N 110.671 0.300 1 683 69 69 PRO HA H 4.469 0.030 1 684 69 69 PRO HB2 H 2.285 0.030 1 685 69 69 PRO HB3 H 2.285 0.030 1 686 69 69 PRO HD2 H 3.620 0.030 1 687 69 69 PRO HD3 H 3.620 0.030 1 688 69 69 PRO HG2 H 2.005 0.030 1 689 69 69 PRO HG3 H 2.005 0.030 1 690 69 69 PRO CA C 63.244 0.300 1 691 69 69 PRO CB C 32.208 0.300 1 692 69 69 PRO CD C 49.801 0.300 1 693 69 69 PRO CG C 27.153 0.300 1 stop_ save_