data_10098 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of The C1 Domain of The Human Diacylglycerol Kinase Delta ; _BMRB_accession_number 10098 _BMRB_flat_file_name bmr10098.str _Entry_type original _Submission_date 2007-02-13 _Accession_date 2007-02-13 _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 Miyamoto K. . . 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" 418 "13C chemical shifts" 318 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-15 original author . stop_ _Original_release_date 2008-08-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of The C1 Domain of The Human Diacylglycerol Kinase Delta' _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 Miyamoto K. . . 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 'Diacylglycerol kinase, delta' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Diacylglycerol kinase, delta' $entity_1 'ZINC (II) ION, 1' $ZN 'ZINC (II) ION, 2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'free and other bound' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component diamagnetic 'ZINC (II) ION, 1' diamagnetic 'ZINC (II) ION, 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C1 Domain' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; GSSGSSGTTLASIGKDIIED ADGIAMPHQWLEGNLPVSAK CTVCDKTCGSVLRLQDWRCL WCKAMVHTSCKESLLTKCSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 THR 9 THR 10 LEU 11 ALA 12 SER 13 ILE 14 GLY 15 LYS 16 ASP 17 ILE 18 ILE 19 GLU 20 ASP 21 ALA 22 ASP 23 GLY 24 ILE 25 ALA 26 MET 27 PRO 28 HIS 29 GLN 30 TRP 31 LEU 32 GLU 33 GLY 34 ASN 35 LEU 36 PRO 37 VAL 38 SER 39 ALA 40 LYS 41 CYS 42 THR 43 VAL 44 CYS 45 ASP 46 LYS 47 THR 48 CYS 49 GLY 50 SER 51 VAL 52 LEU 53 ARG 54 LEU 55 GLN 56 ASP 57 TRP 58 ARG 59 CYS 60 LEU 61 TRP 62 CYS 63 LYS 64 ALA 65 MET 66 VAL 67 HIS 68 THR 69 SER 70 CYS 71 LYS 72 GLU 73 SER 74 LEU 75 LEU 76 THR 77 LYS 78 CYS 79 SER 80 GLY 81 PRO 82 SER 83 SER 84 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-07 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 1R79 "Solution Structure Of The C1 Domain Of The Human Diacylglycerol Kinase Delta" 100.00 84 100.00 100.00 7.16e-52 DBJ BAA09766 "KIAA0145 protein [Homo sapiens]" 84.52 1198 100.00 100.00 1.01e-40 DBJ BAA11134 "diacylglycerol kinase delta [Homo sapiens]" 84.52 1169 100.00 100.00 1.17e-40 DBJ BAC11809 "diacylglycerol kinase delta2 [Homo sapiens]" 84.52 1214 100.00 100.00 9.56e-41 DBJ BAE02082 "unnamed protein product [Macaca fascicularis]" 63.10 692 100.00 100.00 8.18e-29 GB AAY24321 "unknown [Homo sapiens]" 84.52 1098 100.00 100.00 1.59e-40 GB EAW71047 "diacylglycerol kinase, delta 130kDa, isoform CRA_a, partial [Homo sapiens]" 84.52 779 100.00 100.00 6.88e-41 GB EAW71048 "diacylglycerol kinase, delta 130kDa, isoform CRA_b [Homo sapiens]" 84.52 1170 100.00 100.00 1.10e-40 GB EAW71049 "diacylglycerol kinase, delta 130kDa, isoform CRA_c [Homo sapiens]" 84.52 1214 100.00 100.00 9.56e-41 GB EAW71050 "diacylglycerol kinase, delta 130kDa, isoform CRA_b [Homo sapiens]" 84.52 1170 100.00 100.00 1.10e-40 REF NP_003639 "diacylglycerol kinase delta isoform 1 [Homo sapiens]" 84.52 1170 100.00 100.00 1.10e-40 REF NP_690618 "diacylglycerol kinase delta isoform 2 [Homo sapiens]" 84.52 1214 100.00 100.00 9.56e-41 REF XP_001114920 "PREDICTED: diacylglycerol kinase delta-like [Macaca mulatta]" 84.52 1167 100.00 100.00 9.74e-41 REF XP_001916296 "PREDICTED: diacylglycerol kinase delta isoform X1 [Equus caballus]" 84.52 1163 97.18 98.59 1.83e-39 REF XP_002918009 "PREDICTED: LOW QUALITY PROTEIN: diacylglycerol kinase delta [Ailuropoda melanoleuca]" 84.52 1171 97.18 97.18 2.90e-39 SP Q16760 "RecName: Full=Diacylglycerol kinase delta; Short=DAG kinase delta; AltName: Full=130 kDa diacylglycerol kinase; AltName: Full=D" 84.52 1214 100.00 100.00 9.56e-41 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 Sep 21 15:39:22 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 P030128-49 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 1.05 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . NaN3 0.02 % . ZnCl2 100 uM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 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 0.863 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 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_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 7.5 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_ _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 'Diacylglycerol kinase, delta' _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 9 9 THR HA H 4.433 0.030 1 2 9 9 THR HB H 4.233 0.030 1 3 9 9 THR HG2 H 1.210 0.030 1 4 9 9 THR C C 174.553 0.300 1 5 9 9 THR CA C 61.895 0.300 1 6 9 9 THR CB C 69.805 0.300 1 7 9 9 THR CG2 C 21.683 0.300 1 8 10 10 LEU H H 8.313 0.030 1 9 10 10 LEU HA H 4.333 0.030 1 10 10 10 LEU HB2 H 1.586 0.030 2 11 10 10 LEU HB3 H 1.638 0.030 2 12 10 10 LEU HG H 1.638 0.030 1 13 10 10 LEU HD1 H 0.910 0.030 1 14 10 10 LEU HD2 H 0.865 0.030 1 15 10 10 LEU C C 177.209 0.300 1 16 10 10 LEU CA C 55.392 0.300 1 17 10 10 LEU CB C 42.334 0.300 1 18 10 10 LEU CG C 27.020 0.300 1 19 10 10 LEU CD1 C 24.886 0.300 2 20 10 10 LEU CD2 C 23.509 0.300 2 21 10 10 LEU N N 125.057 0.300 1 22 11 11 ALA H H 8.272 0.030 1 23 11 11 ALA HA H 4.256 0.030 1 24 11 11 ALA HB H 1.390 0.030 1 25 11 11 ALA C C 177.775 0.300 1 26 11 11 ALA CA C 53.244 0.300 1 27 11 11 ALA CB C 19.437 0.300 1 28 11 11 ALA N N 124.603 0.300 1 29 12 12 SER H H 8.200 0.030 1 30 12 12 SER HA H 4.464 0.030 1 31 12 12 SER HB2 H 3.857 0.030 1 32 12 12 SER HB3 H 3.857 0.030 1 33 12 12 SER C C 174.703 0.300 1 34 12 12 SER CA C 58.212 0.300 1 35 12 12 SER CB C 63.586 0.300 1 36 12 12 SER N N 114.846 0.300 1 37 13 13 ILE H H 8.059 0.030 1 38 13 13 ILE HA H 4.217 0.030 1 39 13 13 ILE HB H 1.910 0.030 1 40 13 13 ILE HG12 H 1.483 0.030 2 41 13 13 ILE HG13 H 1.215 0.030 2 42 13 13 ILE HG2 H 0.929 0.030 1 43 13 13 ILE HD1 H 0.867 0.030 1 44 13 13 ILE C C 176.739 0.300 1 45 13 13 ILE CA C 61.451 0.300 1 46 13 13 ILE CB C 38.792 0.300 1 47 13 13 ILE CG1 C 27.274 0.300 1 48 13 13 ILE CG2 C 17.572 0.300 1 49 13 13 ILE CD1 C 13.132 0.300 1 50 13 13 ILE N N 122.115 0.300 1 51 14 14 GLY H H 8.447 0.030 1 52 14 14 GLY HA2 H 4.221 0.030 2 53 14 14 GLY HA3 H 3.948 0.030 2 54 14 14 GLY C C 173.967 0.300 1 55 14 14 GLY CA C 45.403 0.300 1 56 14 14 GLY N N 112.601 0.300 1 57 15 15 LYS H H 8.105 0.030 1 58 15 15 LYS HA H 4.353 0.030 1 59 15 15 LYS HB2 H 1.738 0.030 2 60 15 15 LYS HB3 H 1.838 0.030 2 61 15 15 LYS HG2 H 1.418 0.030 1 62 15 15 LYS HG3 H 1.418 0.030 1 63 15 15 LYS HD2 H 1.684 0.030 1 64 15 15 LYS HD3 H 1.684 0.030 1 65 15 15 LYS HE2 H 3.011 0.030 1 66 15 15 LYS HE3 H 3.011 0.030 1 67 15 15 LYS C C 176.106 0.300 1 68 15 15 LYS CA C 56.146 0.300 1 69 15 15 LYS CB C 33.334 0.300 1 70 15 15 LYS CG C 24.802 0.300 1 71 15 15 LYS CD C 28.939 0.300 1 72 15 15 LYS CE C 42.239 0.300 1 73 15 15 LYS N N 120.622 0.300 1 74 16 16 ASP H H 8.411 0.030 1 75 16 16 ASP HA H 4.585 0.030 1 76 16 16 ASP HB2 H 2.687 0.030 2 77 16 16 ASP HB3 H 2.591 0.030 2 78 16 16 ASP C C 175.855 0.300 1 79 16 16 ASP CA C 54.561 0.300 1 80 16 16 ASP CB C 41.132 0.300 1 81 16 16 ASP N N 121.127 0.300 1 82 17 17 ILE H H 7.999 0.030 1 83 17 17 ILE HA H 4.159 0.030 1 84 17 17 ILE HB H 1.841 0.030 1 85 17 17 ILE HG12 H 1.434 0.030 2 86 17 17 ILE HG13 H 1.149 0.030 2 87 17 17 ILE HG2 H 0.892 0.030 1 88 17 17 ILE HD1 H 0.861 0.030 1 89 17 17 ILE C C 175.967 0.300 1 90 17 17 ILE CA C 61.068 0.300 1 91 17 17 ILE CB C 38.785 0.300 1 92 17 17 ILE CG1 C 27.274 0.300 1 93 17 17 ILE CG2 C 17.572 0.300 1 94 17 17 ILE CD1 C 12.885 0.300 1 95 17 17 ILE N N 120.709 0.300 1 96 18 18 ILE H H 8.225 0.030 1 97 18 18 ILE HA H 4.177 0.030 1 98 18 18 ILE HB H 1.861 0.030 1 99 18 18 ILE HG12 H 1.476 0.030 2 100 18 18 ILE HG13 H 1.186 0.030 2 101 18 18 ILE HG2 H 0.946 0.030 1 102 18 18 ILE HD1 H 0.861 0.030 1 103 18 18 ILE C C 176.084 0.300 1 104 18 18 ILE CA C 60.903 0.300 1 105 18 18 ILE CB C 38.621 0.300 1 106 18 18 ILE CG1 C 27.357 0.300 1 107 18 18 ILE CG2 C 17.654 0.300 1 108 18 18 ILE CD1 C 12.721 0.300 1 109 18 18 ILE N N 125.581 0.300 1 110 19 19 GLU H H 8.493 0.030 1 111 19 19 GLU HA H 4.286 0.030 1 112 19 19 GLU HB2 H 1.906 0.030 2 113 19 19 GLU HB3 H 2.013 0.030 2 114 19 19 GLU HG2 H 2.198 0.030 2 115 19 19 GLU HG3 H 2.243 0.030 2 116 19 19 GLU C C 176.030 0.300 1 117 19 19 GLU CA C 56.536 0.300 1 118 19 19 GLU CB C 30.628 0.300 1 119 19 19 GLU CG C 36.179 0.300 1 120 19 19 GLU N N 125.713 0.300 1 121 20 20 ASP H H 8.366 0.030 1 122 20 20 ASP HA H 4.573 0.030 1 123 20 20 ASP HB2 H 2.646 0.030 1 124 20 20 ASP HB3 H 2.646 0.030 1 125 20 20 ASP C C 176.256 0.300 1 126 20 20 ASP CA C 54.277 0.300 1 127 20 20 ASP CB C 41.263 0.300 1 128 20 20 ASP N N 121.989 0.300 1 129 21 21 ALA H H 8.309 0.030 1 130 21 21 ALA HA H 4.258 0.030 1 131 21 21 ALA HB H 1.393 0.030 1 132 21 21 ALA C C 177.847 0.300 1 133 21 21 ALA CA C 53.081 0.300 1 134 21 21 ALA CB C 19.413 0.300 1 135 21 21 ALA N N 124.821 0.300 1 136 22 22 ASP H H 8.302 0.030 1 137 22 22 ASP HA H 4.599 0.030 1 138 22 22 ASP HB2 H 2.682 0.030 1 139 22 22 ASP HB3 H 2.682 0.030 1 140 22 22 ASP C C 176.873 0.300 1 141 22 22 ASP CA C 54.734 0.300 1 142 22 22 ASP CB C 41.249 0.300 1 143 22 22 ASP N N 118.660 0.300 1 144 23 23 GLY H H 8.119 0.030 1 145 23 23 GLY HA2 H 3.913 0.030 1 146 23 23 GLY HA3 H 3.913 0.030 1 147 23 23 GLY C C 174.052 0.300 1 148 23 23 GLY CA C 45.537 0.300 1 149 23 23 GLY N N 108.740 0.300 1 150 24 24 ILE H H 7.914 0.030 1 151 24 24 ILE HA H 4.109 0.030 1 152 24 24 ILE HB H 1.846 0.030 1 153 24 24 ILE HG12 H 1.423 0.030 2 154 24 24 ILE HG13 H 1.127 0.030 2 155 24 24 ILE HG2 H 0.864 0.030 1 156 24 24 ILE HD1 H 0.835 0.030 1 157 24 24 ILE C C 175.778 0.300 1 158 24 24 ILE CA C 61.001 0.300 1 159 24 24 ILE CB C 38.703 0.300 1 160 24 24 ILE CG1 C 27.274 0.300 1 161 24 24 ILE CG2 C 17.490 0.300 1 162 24 24 ILE CD1 C 12.885 0.300 1 163 24 24 ILE N N 120.097 0.300 1 164 25 25 ALA H H 8.314 0.030 1 165 25 25 ALA HA H 4.314 0.030 1 166 25 25 ALA HB H 1.314 0.030 1 167 25 25 ALA C C 176.787 0.300 1 168 25 25 ALA CA C 52.126 0.300 1 169 25 25 ALA CB C 19.663 0.300 1 170 25 25 ALA N N 128.312 0.300 1 171 26 26 MET H H 8.386 0.030 1 172 26 26 MET HA H 4.800 0.030 1 173 26 26 MET HB2 H 2.057 0.030 2 174 26 26 MET HB3 H 1.839 0.030 2 175 26 26 MET HG2 H 2.443 0.030 1 176 26 26 MET HG3 H 2.443 0.030 1 177 26 26 MET HE H 1.928 0.030 1 178 26 26 MET C C 172.799 0.300 1 179 26 26 MET CA C 53.046 0.300 1 180 26 26 MET CB C 32.970 0.300 1 181 26 26 MET CG C 31.929 0.300 1 182 26 26 MET CE C 17.016 0.300 1 183 26 26 MET N N 121.696 0.300 1 184 27 27 PRO HA H 4.557 0.030 1 185 27 27 PRO HB2 H 2.300 0.030 2 186 27 27 PRO HB3 H 2.041 0.030 2 187 27 27 PRO HG2 H 2.020 0.030 1 188 27 27 PRO HG3 H 2.020 0.030 1 189 27 27 PRO HD2 H 3.720 0.030 1 190 27 27 PRO HD3 H 3.720 0.030 1 191 27 27 PRO C C 176.874 0.300 1 192 27 27 PRO CA C 62.233 0.300 1 193 27 27 PRO CB C 32.297 0.300 1 194 27 27 PRO CG C 27.110 0.300 1 195 27 27 PRO CD C 50.564 0.300 1 196 28 28 HIS H H 7.835 0.030 1 197 28 28 HIS HA H 4.634 0.030 1 198 28 28 HIS HB2 H 1.829 0.030 1 199 28 28 HIS HB3 H 1.829 0.030 1 200 28 28 HIS HD2 H 7.400 0.030 1 201 28 28 HIS HE1 H 7.792 0.030 1 202 28 28 HIS C C 174.603 0.300 1 203 28 28 HIS CA C 56.372 0.300 1 204 28 28 HIS CB C 29.543 0.300 1 205 28 28 HIS CD2 C 120.452 0.300 1 206 28 28 HIS CE1 C 139.778 0.300 1 207 28 28 HIS N N 117.546 0.300 1 208 29 29 GLN H H 8.243 0.030 1 209 29 29 GLN HA H 4.387 0.030 1 210 29 29 GLN HB2 H 1.080 0.030 2 211 29 29 GLN HB3 H 1.330 0.030 2 212 29 29 GLN HG2 H 1.749 0.030 1 213 29 29 GLN HG3 H 1.749 0.030 1 214 29 29 GLN HE21 H 6.832 0.030 2 215 29 29 GLN HE22 H 6.907 0.030 2 216 29 29 GLN C C 173.772 0.300 1 217 29 29 GLN CA C 53.369 0.300 1 218 29 29 GLN CB C 28.639 0.300 1 219 29 29 GLN CG C 33.335 0.300 1 220 29 29 GLN N N 125.480 0.300 1 221 29 29 GLN NE2 N 112.086 0.300 1 222 30 30 TRP H H 7.891 0.030 1 223 30 30 TRP HA H 5.078 0.030 1 224 30 30 TRP HB2 H 3.054 0.030 2 225 30 30 TRP HB3 H 3.381 0.030 2 226 30 30 TRP HD1 H 7.143 0.030 1 227 30 30 TRP HE1 H 10.226 0.030 1 228 30 30 TRP HE3 H 7.294 0.030 1 229 30 30 TRP HZ2 H 6.961 0.030 1 230 30 30 TRP HZ3 H 6.682 0.030 1 231 30 30 TRP HH2 H 6.327 0.030 1 232 30 30 TRP C C 176.890 0.300 1 233 30 30 TRP CA C 57.073 0.300 1 234 30 30 TRP CB C 31.739 0.300 1 235 30 30 TRP CD1 C 127.479 0.300 1 236 30 30 TRP CE3 C 119.723 0.300 1 237 30 30 TRP CZ2 C 114.355 0.300 1 238 30 30 TRP CZ3 C 122.136 0.300 1 239 30 30 TRP CH2 C 123.677 0.300 1 240 30 30 TRP N N 123.666 0.300 1 241 30 30 TRP NE1 N 128.889 0.300 1 242 31 31 LEU H H 9.873 0.030 1 243 31 31 LEU HA H 4.913 0.030 1 244 31 31 LEU HB2 H 1.702 0.030 2 245 31 31 LEU HB3 H 1.655 0.030 2 246 31 31 LEU HG H 1.727 0.030 1 247 31 31 LEU HD1 H 0.965 0.030 1 248 31 31 LEU HD2 H 0.956 0.030 1 249 31 31 LEU C C 175.403 0.300 1 250 31 31 LEU CA C 54.216 0.300 1 251 31 31 LEU CB C 45.370 0.300 1 252 31 31 LEU CG C 27.129 0.300 1 253 31 31 LEU CD1 C 24.285 0.300 2 254 31 31 LEU CD2 C 25.578 0.300 2 255 31 31 LEU N N 125.672 0.300 1 256 32 32 GLU H H 8.593 0.030 1 257 32 32 GLU HA H 3.789 0.030 1 258 32 32 GLU HB2 H 0.695 0.030 2 259 32 32 GLU HB3 H 1.349 0.030 2 260 32 32 GLU HG2 H 0.747 0.030 2 261 32 32 GLU HG3 H 1.285 0.030 2 262 32 32 GLU C C 177.876 0.300 1 263 32 32 GLU CA C 55.504 0.300 1 264 32 32 GLU CB C 30.451 0.300 1 265 32 32 GLU CG C 35.857 0.300 1 266 32 32 GLU N N 126.490 0.300 1 267 33 33 GLY H H 8.395 0.030 1 268 33 33 GLY HA2 H 3.686 0.030 2 269 33 33 GLY HA3 H 3.822 0.030 2 270 33 33 GLY C C 171.712 0.300 1 271 33 33 GLY CA C 44.938 0.300 1 272 33 33 GLY N N 112.023 0.300 1 273 34 34 ASN H H 8.370 0.030 1 274 34 34 ASN HA H 4.391 0.030 1 275 34 34 ASN HB2 H 2.815 0.030 2 276 34 34 ASN HB3 H 2.733 0.030 2 277 34 34 ASN HD21 H 6.856 0.030 2 278 34 34 ASN HD22 H 7.584 0.030 2 279 34 34 ASN C C 174.522 0.300 1 280 34 34 ASN CA C 54.206 0.300 1 281 34 34 ASN CB C 37.826 0.300 1 282 34 34 ASN N N 113.341 0.300 1 283 34 34 ASN ND2 N 113.767 0.300 1 284 35 35 LEU H H 8.260 0.030 1 285 35 35 LEU HA H 4.314 0.030 1 286 35 35 LEU HB2 H 1.536 0.030 2 287 35 35 LEU HB3 H 1.584 0.030 2 288 35 35 LEU HG H 1.577 0.030 1 289 35 35 LEU HD1 H 0.780 0.030 1 290 35 35 LEU HD2 H 0.736 0.030 1 291 35 35 LEU C C 174.968 0.300 1 292 35 35 LEU CA C 54.806 0.300 1 293 35 35 LEU CB C 40.717 0.300 1 294 35 35 LEU CG C 30.711 0.300 1 295 35 35 LEU CD1 C 26.267 0.300 2 296 35 35 LEU CD2 C 24.627 0.300 2 297 35 35 LEU N N 121.545 0.300 1 298 36 36 PRO HA H 4.508 0.030 1 299 36 36 PRO HB2 H 2.304 0.030 2 300 36 36 PRO HB3 H 1.918 0.030 2 301 36 36 PRO HG2 H 1.952 0.030 2 302 36 36 PRO HG3 H 2.037 0.030 2 303 36 36 PRO HD2 H 3.606 0.030 2 304 36 36 PRO HD3 H 3.694 0.030 2 305 36 36 PRO C C 176.989 0.300 1 306 36 36 PRO CA C 62.486 0.300 1 307 36 36 PRO CB C 32.208 0.300 1 308 36 36 PRO CG C 27.439 0.300 1 309 36 36 PRO CD C 50.218 0.300 1 310 37 37 VAL H H 8.243 0.030 1 311 37 37 VAL HA H 3.907 0.030 1 312 37 37 VAL HB H 2.074 0.030 1 313 37 37 VAL HG1 H 1.001 0.030 1 314 37 37 VAL HG2 H 1.001 0.030 1 315 37 37 VAL C C 176.412 0.300 1 316 37 37 VAL CA C 63.895 0.300 1 317 37 37 VAL CB C 32.118 0.300 1 318 37 37 VAL CG1 C 20.924 0.300 1 319 37 37 VAL CG2 C 20.924 0.300 1 320 37 37 VAL N N 119.207 0.300 1 321 38 38 SER H H 8.050 0.030 1 322 38 38 SER HA H 4.259 0.030 1 323 38 38 SER HB2 H 3.902 0.030 2 324 38 38 SER HB3 H 4.021 0.030 2 325 38 38 SER C C 173.929 0.300 1 326 38 38 SER CA C 58.145 0.300 1 327 38 38 SER CB C 62.790 0.300 1 328 38 38 SER N N 114.250 0.300 1 329 39 39 ALA H H 7.602 0.030 1 330 39 39 ALA HA H 4.136 0.030 1 331 39 39 ALA HB H 1.402 0.030 1 332 39 39 ALA C C 176.582 0.300 1 333 39 39 ALA CA C 53.023 0.300 1 334 39 39 ALA CB C 21.579 0.300 1 335 39 39 ALA N N 124.582 0.300 1 336 40 40 LYS H H 8.029 0.030 1 337 40 40 LYS HA H 4.444 0.030 1 338 40 40 LYS HB2 H 1.403 0.030 2 339 40 40 LYS HB3 H 1.588 0.030 2 340 40 40 LYS HG2 H 1.179 0.030 2 341 40 40 LYS HG3 H 1.380 0.030 2 342 40 40 LYS HD2 H 1.514 0.030 2 343 40 40 LYS HD3 H 1.613 0.030 2 344 40 40 LYS HE2 H 2.934 0.030 1 345 40 40 LYS HE3 H 2.934 0.030 1 346 40 40 LYS C C 174.871 0.300 1 347 40 40 LYS CA C 54.427 0.300 1 348 40 40 LYS CB C 35.225 0.300 1 349 40 40 LYS CG C 24.725 0.300 1 350 40 40 LYS CD C 28.850 0.300 1 351 40 40 LYS CE C 42.027 0.300 1 352 40 40 LYS N N 119.947 0.300 1 353 41 41 CYS H H 8.327 0.030 1 354 41 41 CYS HA H 4.358 0.030 1 355 41 41 CYS HB2 H 3.422 0.030 2 356 41 41 CYS HB3 H 2.133 0.030 2 357 41 41 CYS C C 178.232 0.300 1 358 41 41 CYS CA C 58.028 0.300 1 359 41 41 CYS CB C 31.926 0.300 1 360 41 41 CYS N N 124.401 0.300 1 361 42 42 THR H H 9.995 0.030 1 362 42 42 THR HA H 4.056 0.030 1 363 42 42 THR HB H 4.036 0.030 1 364 42 42 THR HG2 H 1.402 0.030 1 365 42 42 THR C C 174.244 0.300 1 366 42 42 THR CA C 66.305 0.300 1 367 42 42 THR CB C 70.562 0.300 1 368 42 42 THR CG2 C 22.834 0.300 1 369 42 42 THR N N 128.054 0.300 1 370 43 43 VAL H H 8.890 0.030 1 371 43 43 VAL HA H 3.978 0.030 1 372 43 43 VAL HB H 2.184 0.030 1 373 43 43 VAL HG1 H 0.984 0.030 1 374 43 43 VAL HG2 H 0.953 0.030 1 375 43 43 VAL C C 177.099 0.300 1 376 43 43 VAL CA C 65.568 0.300 1 377 43 43 VAL CB C 33.140 0.300 1 378 43 43 VAL CG1 C 22.701 0.300 2 379 43 43 VAL CG2 C 20.657 0.300 2 380 43 43 VAL N N 121.966 0.300 1 381 44 44 CYS H H 8.097 0.030 1 382 44 44 CYS HA H 4.933 0.030 1 383 44 44 CYS HB2 H 2.875 0.030 2 384 44 44 CYS HB3 H 3.330 0.030 2 385 44 44 CYS C C 175.740 0.300 1 386 44 44 CYS CA C 59.067 0.300 1 387 44 44 CYS CB C 31.723 0.300 1 388 44 44 CYS N N 117.244 0.300 1 389 45 45 ASP H H 8.321 0.030 1 390 45 45 ASP HA H 4.539 0.030 1 391 45 45 ASP HB2 H 3.102 0.030 2 392 45 45 ASP HB3 H 2.578 0.030 2 393 45 45 ASP C C 174.599 0.300 1 394 45 45 ASP CA C 56.596 0.300 1 395 45 45 ASP CB C 41.620 0.300 1 396 45 45 ASP N N 121.133 0.300 1 397 46 46 LYS H H 8.032 0.030 1 398 46 46 LYS HA H 4.827 0.030 1 399 46 46 LYS HB2 H 2.077 0.030 2 400 46 46 LYS HB3 H 2.105 0.030 2 401 46 46 LYS HG2 H 1.531 0.030 2 402 46 46 LYS HG3 H 1.642 0.030 2 403 46 46 LYS HD2 H 1.711 0.030 1 404 46 46 LYS HD3 H 1.711 0.030 1 405 46 46 LYS HE2 H 3.044 0.030 1 406 46 46 LYS HE3 H 3.044 0.030 1 407 46 46 LYS C C 177.201 0.300 1 408 46 46 LYS CA C 55.044 0.300 1 409 46 46 LYS CB C 34.455 0.300 1 410 46 46 LYS CG C 25.465 0.300 1 411 46 46 LYS CD C 28.837 0.300 1 412 46 46 LYS CE C 42.486 0.300 1 413 46 46 LYS N N 117.367 0.300 1 414 47 47 THR H H 8.519 0.030 1 415 47 47 THR HA H 4.475 0.030 1 416 47 47 THR HB H 4.172 0.030 1 417 47 47 THR HG2 H 1.320 0.030 1 418 47 47 THR C C 174.809 0.300 1 419 47 47 THR CA C 64.002 0.300 1 420 47 47 THR CB C 69.501 0.300 1 421 47 47 THR CG2 C 22.012 0.300 1 422 47 47 THR N N 115.920 0.300 1 423 48 48 CYS H H 8.395 0.030 1 424 48 48 CYS HA H 4.804 0.030 1 425 48 48 CYS HB2 H 2.449 0.030 2 426 48 48 CYS HB3 H 1.736 0.030 2 427 48 48 CYS C C 173.232 0.300 1 428 48 48 CYS CA C 57.177 0.300 1 429 48 48 CYS CB C 29.836 0.300 1 430 48 48 CYS N N 123.734 0.300 1 431 49 49 GLY H H 9.712 0.030 1 432 49 49 GLY HA2 H 4.178 0.030 2 433 49 49 GLY HA3 H 3.865 0.030 2 434 49 49 GLY C C 173.725 0.300 1 435 49 49 GLY CA C 45.475 0.300 1 436 49 49 GLY N N 109.518 0.300 1 437 50 50 SER H H 8.204 0.030 1 438 50 50 SER HA H 4.534 0.030 1 439 50 50 SER HB2 H 3.733 0.030 2 440 50 50 SER HB3 H 3.943 0.030 2 441 50 50 SER C C 174.953 0.300 1 442 50 50 SER CA C 58.224 0.300 1 443 50 50 SER CB C 64.601 0.300 1 444 50 50 SER N N 113.236 0.300 1 445 51 51 VAL H H 8.410 0.030 1 446 51 51 VAL HA H 4.260 0.030 1 447 51 51 VAL HB H 2.235 0.030 1 448 51 51 VAL HG1 H 0.985 0.030 1 449 51 51 VAL HG2 H 0.951 0.030 1 450 51 51 VAL C C 176.658 0.300 1 451 51 51 VAL CA C 62.846 0.300 1 452 51 51 VAL CB C 32.035 0.300 1 453 51 51 VAL CG1 C 21.354 0.300 2 454 51 51 VAL CG2 C 20.077 0.300 2 455 51 51 VAL N N 121.184 0.300 1 456 52 52 LEU H H 8.330 0.030 1 457 52 52 LEU HA H 4.250 0.030 1 458 52 52 LEU HB2 H 1.570 0.030 2 459 52 52 LEU HB3 H 1.633 0.030 2 460 52 52 LEU HG H 1.587 0.030 1 461 52 52 LEU HD1 H 0.898 0.030 1 462 52 52 LEU HD2 H 0.856 0.030 1 463 52 52 LEU C C 177.007 0.300 1 464 52 52 LEU CA C 55.832 0.300 1 465 52 52 LEU CB C 42.671 0.300 1 466 52 52 LEU CG C 27.028 0.300 1 467 52 52 LEU CD1 C 25.054 0.300 2 468 52 52 LEU CD2 C 23.081 0.300 2 469 52 52 LEU N N 122.253 0.300 1 470 53 53 ARG H H 7.789 0.030 1 471 53 53 ARG HA H 4.323 0.030 1 472 53 53 ARG HB2 H 1.801 0.030 2 473 53 53 ARG HB3 H 1.871 0.030 2 474 53 53 ARG HG2 H 1.479 0.030 2 475 53 53 ARG HG3 H 1.512 0.030 2 476 53 53 ARG HD2 H 3.180 0.030 1 477 53 53 ARG HD3 H 3.180 0.030 1 478 53 53 ARG C C 175.473 0.300 1 479 53 53 ARG CA C 55.694 0.300 1 480 53 53 ARG CB C 30.743 0.300 1 481 53 53 ARG CG C 26.945 0.300 1 482 53 53 ARG CD C 43.209 0.300 1 483 53 53 ARG N N 115.482 0.300 1 484 54 54 LEU H H 8.092 0.030 1 485 54 54 LEU HA H 4.351 0.030 1 486 54 54 LEU HB2 H 1.474 0.030 2 487 54 54 LEU HB3 H 1.594 0.030 2 488 54 54 LEU HG H 1.482 0.030 1 489 54 54 LEU HD1 H 0.888 0.030 1 490 54 54 LEU HD2 H 0.834 0.030 1 491 54 54 LEU C C 175.885 0.300 1 492 54 54 LEU CA C 54.860 0.300 1 493 54 54 LEU CB C 41.575 0.300 1 494 54 54 LEU CG C 26.871 0.300 1 495 54 54 LEU CD1 C 25.319 0.300 2 496 54 54 LEU CD2 C 23.800 0.300 2 497 54 54 LEU N N 121.598 0.300 1 498 55 55 GLN H H 7.795 0.030 1 499 55 55 GLN HA H 4.390 0.030 1 500 55 55 GLN HB2 H 1.790 0.030 2 501 55 55 GLN HB3 H 1.836 0.030 2 502 55 55 GLN HG2 H 2.152 0.030 2 503 55 55 GLN HG3 H 2.204 0.030 2 504 55 55 GLN HE21 H 6.775 0.030 2 505 55 55 GLN HE22 H 7.517 0.030 2 506 55 55 GLN C C 174.640 0.300 1 507 55 55 GLN CA C 55.798 0.300 1 508 55 55 GLN CB C 32.062 0.300 1 509 55 55 GLN CG C 34.099 0.300 1 510 55 55 GLN N N 121.791 0.300 1 511 55 55 GLN NE2 N 112.767 0.300 1 512 56 56 ASP H H 8.252 0.030 1 513 56 56 ASP HA H 4.770 0.030 1 514 56 56 ASP HB2 H 2.759 0.030 2 515 56 56 ASP HB3 H 2.991 0.030 2 516 56 56 ASP C C 172.808 0.300 1 517 56 56 ASP CA C 56.301 0.300 1 518 56 56 ASP CB C 41.911 0.300 1 519 56 56 ASP N N 119.528 0.300 1 520 57 57 TRP H H 8.134 0.030 1 521 57 57 TRP HA H 5.398 0.030 1 522 57 57 TRP HB2 H 3.037 0.030 2 523 57 57 TRP HB3 H 2.565 0.030 2 524 57 57 TRP HD1 H 6.826 0.030 1 525 57 57 TRP HE1 H 10.157 0.030 1 526 57 57 TRP HE3 H 7.336 0.030 1 527 57 57 TRP HZ2 H 7.437 0.030 1 528 57 57 TRP HZ3 H 7.078 0.030 1 529 57 57 TRP HH2 H 7.190 0.030 1 530 57 57 TRP C C 174.815 0.300 1 531 57 57 TRP CA C 56.789 0.300 1 532 57 57 TRP CB C 33.097 0.300 1 533 57 57 TRP CD1 C 126.631 0.300 1 534 57 57 TRP CE3 C 119.889 0.300 1 535 57 57 TRP CZ2 C 115.509 0.300 1 536 57 57 TRP CZ3 C 122.243 0.300 1 537 57 57 TRP CH2 C 124.943 0.300 1 538 57 57 TRP N N 114.704 0.300 1 539 57 57 TRP NE1 N 131.525 0.300 1 540 58 58 ARG H H 9.504 0.030 1 541 58 58 ARG HA H 5.888 0.030 1 542 58 58 ARG HB2 H 1.656 0.030 2 543 58 58 ARG HB3 H 1.882 0.030 2 544 58 58 ARG HG2 H 1.507 0.030 2 545 58 58 ARG HG3 H 1.742 0.030 2 546 58 58 ARG HD2 H 2.913 0.030 2 547 58 58 ARG HD3 H 3.148 0.030 2 548 58 58 ARG C C 174.317 0.300 1 549 58 58 ARG CA C 53.097 0.300 1 550 58 58 ARG CB C 33.869 0.300 1 551 58 58 ARG CG C 26.871 0.300 1 552 58 58 ARG CD C 44.018 0.300 1 553 58 58 ARG N N 118.081 0.300 1 554 59 59 CYS H H 8.913 0.030 1 555 59 59 CYS HA H 4.651 0.030 1 556 59 59 CYS HB2 H 2.914 0.030 2 557 59 59 CYS HB3 H 1.734 0.030 2 558 59 59 CYS C C 177.451 0.300 1 559 59 59 CYS CA C 57.639 0.300 1 560 59 59 CYS CB C 29.874 0.300 1 561 59 59 CYS N N 126.589 0.300 1 562 60 60 LEU H H 8.706 0.030 1 563 60 60 LEU HA H 3.915 0.030 1 564 60 60 LEU HB2 H 0.977 0.030 2 565 60 60 LEU HB3 H 1.221 0.030 2 566 60 60 LEU HG H 1.202 0.030 1 567 60 60 LEU HD1 H 0.596 0.030 1 568 60 60 LEU HD2 H 0.780 0.030 1 569 60 60 LEU C C 176.986 0.300 1 570 60 60 LEU CA C 57.403 0.300 1 571 60 60 LEU CB C 43.439 0.300 1 572 60 60 LEU CG C 26.612 0.300 1 573 60 60 LEU CD1 C 24.805 0.300 2 574 60 60 LEU CD2 C 23.484 0.300 2 575 60 60 LEU N N 130.603 0.300 1 576 61 61 TRP H H 8.757 0.030 1 577 61 61 TRP HA H 5.020 0.030 1 578 61 61 TRP HB2 H 3.230 0.030 2 579 61 61 TRP HB3 H 2.949 0.030 2 580 61 61 TRP HD1 H 7.231 0.030 1 581 61 61 TRP HE1 H 10.207 0.030 1 582 61 61 TRP HE3 H 7.923 0.030 1 583 61 61 TRP HZ2 H 7.425 0.030 1 584 61 61 TRP HZ3 H 7.166 0.030 1 585 61 61 TRP HH2 H 7.181 0.030 1 586 61 61 TRP C C 176.717 0.300 1 587 61 61 TRP CA C 56.840 0.300 1 588 61 61 TRP CB C 32.032 0.300 1 589 61 61 TRP CD1 C 125.477 0.300 1 590 61 61 TRP CE3 C 122.271 0.300 1 591 61 61 TRP CZ2 C 114.541 0.300 1 592 61 61 TRP CZ3 C 122.429 0.300 1 593 61 61 TRP CH2 C 124.948 0.300 1 594 61 61 TRP N N 119.462 0.300 1 595 61 61 TRP NE1 N 128.889 0.300 1 596 62 62 CYS H H 8.184 0.030 1 597 62 62 CYS HA H 5.015 0.030 1 598 62 62 CYS HB2 H 3.447 0.030 2 599 62 62 CYS HB3 H 3.166 0.030 2 600 62 62 CYS C C 176.227 0.300 1 601 62 62 CYS CA C 58.760 0.300 1 602 62 62 CYS CB C 31.976 0.300 1 603 62 62 CYS N N 118.686 0.300 1 604 63 63 LYS H H 7.598 0.030 1 605 63 63 LYS HA H 4.210 0.030 1 606 63 63 LYS HB2 H 2.099 0.030 2 607 63 63 LYS HB3 H 2.176 0.030 2 608 63 63 LYS HG2 H 1.379 0.030 1 609 63 63 LYS HG3 H 1.379 0.030 1 610 63 63 LYS HD2 H 1.649 0.030 1 611 63 63 LYS HD3 H 1.649 0.030 1 612 63 63 LYS HE2 H 3.037 0.030 1 613 63 63 LYS HE3 H 3.037 0.030 1 614 63 63 LYS C C 175.835 0.300 1 615 63 63 LYS CA C 57.901 0.300 1 616 63 63 LYS CB C 29.678 0.300 1 617 63 63 LYS CG C 25.301 0.300 1 618 63 63 LYS CD C 28.939 0.300 1 619 63 63 LYS CE C 42.486 0.300 1 620 63 63 LYS N N 115.102 0.300 1 621 64 64 ALA H H 8.551 0.030 1 622 64 64 ALA HA H 4.291 0.030 1 623 64 64 ALA HB H 1.314 0.030 1 624 64 64 ALA C C 176.575 0.300 1 625 64 64 ALA CA C 54.236 0.300 1 626 64 64 ALA CB C 19.372 0.300 1 627 64 64 ALA N N 124.651 0.300 1 628 65 65 MET H H 8.185 0.030 1 629 65 65 MET HA H 5.596 0.030 1 630 65 65 MET HB2 H 1.829 0.030 2 631 65 65 MET HB3 H 2.050 0.030 2 632 65 65 MET HG2 H 2.480 0.030 2 633 65 65 MET HG3 H 2.810 0.030 2 634 65 65 MET HE H 2.194 0.030 1 635 65 65 MET C C 174.833 0.300 1 636 65 65 MET CA C 54.757 0.300 1 637 65 65 MET CB C 36.051 0.300 1 638 65 65 MET CG C 32.538 0.300 1 639 65 65 MET CE C 17.569 0.300 1 640 65 65 MET N N 120.096 0.300 1 641 66 66 VAL H H 8.987 0.030 1 642 66 66 VAL HA H 6.008 0.030 1 643 66 66 VAL HB H 1.935 0.030 1 644 66 66 VAL HG1 H 0.729 0.030 1 645 66 66 VAL HG2 H 0.182 0.030 1 646 66 66 VAL C C 175.913 0.300 1 647 66 66 VAL CA C 57.865 0.300 1 648 66 66 VAL CB C 37.116 0.300 1 649 66 66 VAL CG1 C 23.410 0.300 2 650 66 66 VAL CG2 C 19.386 0.300 2 651 66 66 VAL N N 113.399 0.300 1 652 67 67 HIS H H 7.702 0.030 1 653 67 67 HIS HA H 4.937 0.030 1 654 67 67 HIS HB2 H 3.503 0.030 2 655 67 67 HIS HB3 H 3.670 0.030 2 656 67 67 HIS HD2 H 7.688 0.030 1 657 67 67 HIS HE1 H 7.287 0.030 1 658 67 67 HIS C C 178.806 0.300 1 659 67 67 HIS CA C 58.196 0.300 1 660 67 67 HIS CB C 31.866 0.300 1 661 67 67 HIS CD2 C 119.456 0.300 1 662 67 67 HIS CE1 C 138.454 0.300 1 663 67 67 HIS N N 119.664 0.300 1 664 68 68 THR H H 9.458 0.030 1 665 68 68 THR HA H 3.854 0.030 1 666 68 68 THR HB H 4.420 0.030 1 667 68 68 THR HG2 H 1.374 0.030 1 668 68 68 THR C C 178.828 0.300 1 669 68 68 THR CA C 68.511 0.300 1 670 68 68 THR CB C 68.640 0.300 1 671 68 68 THR CG2 C 22.475 0.300 1 672 68 68 THR N N 121.820 0.300 1 673 69 69 SER HA H 4.272 0.030 1 674 69 69 SER HB2 H 3.892 0.030 2 675 69 69 SER HB3 H 4.011 0.030 2 676 69 69 SER C C 175.217 0.300 1 677 69 69 SER CA C 60.748 0.300 1 678 69 69 SER CB C 62.810 0.300 1 679 70 70 CYS H H 7.195 0.030 1 680 70 70 CYS HA H 4.268 0.030 1 681 70 70 CYS HB2 H 2.793 0.030 2 682 70 70 CYS HB3 H 2.929 0.030 2 683 70 70 CYS C C 175.835 0.300 1 684 70 70 CYS CA C 60.947 0.300 1 685 70 70 CYS CB C 31.452 0.300 1 686 70 70 CYS N N 120.040 0.300 1 687 71 71 LYS H H 7.187 0.030 1 688 71 71 LYS HA H 3.226 0.030 1 689 71 71 LYS HB2 H 1.095 0.030 2 690 71 71 LYS HB3 H 1.443 0.030 2 691 71 71 LYS HG2 H -0.025 0.030 2 692 71 71 LYS HG3 H 0.601 0.030 2 693 71 71 LYS HD2 H -0.129 0.030 2 694 71 71 LYS HD3 H 0.250 0.030 2 695 71 71 LYS HE2 H 0.949 0.030 2 696 71 71 LYS HE3 H 1.026 0.030 2 697 71 71 LYS C C 177.452 0.300 1 698 71 71 LYS CA C 60.807 0.300 1 699 71 71 LYS CB C 32.923 0.300 1 700 71 71 LYS CG C 22.786 0.300 1 701 71 71 LYS CD C 28.605 0.300 1 702 71 71 LYS CE C 40.105 0.300 1 703 71 71 LYS N N 121.113 0.300 1 704 72 72 GLU H H 8.213 0.030 1 705 72 72 GLU HA H 4.096 0.030 1 706 72 72 GLU HB2 H 1.907 0.030 2 707 72 72 GLU HB3 H 2.102 0.030 2 708 72 72 GLU HG2 H 2.235 0.030 1 709 72 72 GLU HG3 H 2.235 0.030 1 710 72 72 GLU C C 177.017 0.300 1 711 72 72 GLU CA C 57.811 0.300 1 712 72 72 GLU CB C 28.906 0.300 1 713 72 72 GLU CG C 36.730 0.300 1 714 72 72 GLU N N 114.701 0.300 1 715 73 73 SER H H 7.709 0.030 1 716 73 73 SER HA H 4.467 0.030 1 717 73 73 SER HB2 H 3.963 0.030 2 718 73 73 SER HB3 H 4.020 0.030 2 719 73 73 SER C C 173.131 0.300 1 720 73 73 SER CA C 58.731 0.300 1 721 73 73 SER CB C 64.103 0.300 1 722 73 73 SER N N 113.324 0.300 1 723 74 74 LEU H H 7.155 0.030 1 724 74 74 LEU HA H 4.457 0.030 1 725 74 74 LEU HB2 H 1.130 0.030 2 726 74 74 LEU HB3 H 2.147 0.030 2 727 74 74 LEU HG H 1.696 0.030 1 728 74 74 LEU HD1 H 0.992 0.030 1 729 74 74 LEU HD2 H 0.836 0.030 1 730 74 74 LEU C C 176.188 0.300 1 731 74 74 LEU CA C 54.795 0.300 1 732 74 74 LEU CB C 41.294 0.300 1 733 74 74 LEU CG C 27.388 0.300 1 734 74 74 LEU CD1 C 24.314 0.300 2 735 74 74 LEU CD2 C 26.543 0.300 2 736 74 74 LEU N N 122.433 0.300 1 737 75 75 LEU H H 8.901 0.030 1 738 75 75 LEU HA H 4.586 0.030 1 739 75 75 LEU HB2 H 1.731 0.030 1 740 75 75 LEU HB3 H 1.731 0.030 1 741 75 75 LEU HG H 1.705 0.030 1 742 75 75 LEU HD1 H 0.972 0.030 1 743 75 75 LEU HD2 H 0.860 0.030 1 744 75 75 LEU C C 177.722 0.300 1 745 75 75 LEU CA C 54.990 0.300 1 746 75 75 LEU CB C 42.152 0.300 1 747 75 75 LEU CG C 26.871 0.300 1 748 75 75 LEU CD1 C 25.383 0.300 2 749 75 75 LEU CD2 C 22.670 0.300 2 750 75 75 LEU N N 128.394 0.300 1 751 76 76 THR H H 7.293 0.030 1 752 76 76 THR HA H 4.274 0.030 1 753 76 76 THR HB H 4.357 0.030 1 754 76 76 THR HG2 H 1.373 0.030 1 755 76 76 THR C C 174.960 0.300 1 756 76 76 THR CA C 61.435 0.300 1 757 76 76 THR CB C 70.193 0.300 1 758 76 76 THR CG2 C 22.505 0.300 1 759 76 76 THR N N 111.091 0.300 1 760 77 77 LYS H H 8.486 0.030 1 761 77 77 LYS HA H 4.179 0.030 1 762 77 77 LYS HB2 H 1.713 0.030 2 763 77 77 LYS HB3 H 1.799 0.030 2 764 77 77 LYS HG2 H 1.410 0.030 1 765 77 77 LYS HG3 H 1.410 0.030 1 766 77 77 LYS HD2 H 1.609 0.030 1 767 77 77 LYS HD3 H 1.609 0.030 1 768 77 77 LYS HE2 H 2.974 0.030 1 769 77 77 LYS HE3 H 2.974 0.030 1 770 77 77 LYS C C 174.960 0.300 1 771 77 77 LYS CA C 55.478 0.300 1 772 77 77 LYS CB C 32.827 0.300 1 773 77 77 LYS CG C 24.808 0.300 1 774 77 77 LYS CD C 28.919 0.300 1 775 77 77 LYS CE C 42.239 0.300 1 776 77 77 LYS N N 123.155 0.300 1 777 78 78 CYS H H 8.375 0.030 1 778 78 78 CYS HA H 3.811 0.030 1 779 78 78 CYS HB2 H 2.239 0.030 2 780 78 78 CYS HB3 H 1.335 0.030 2 781 78 78 CYS C C 175.445 0.300 1 782 78 78 CYS CA C 61.126 0.300 1 783 78 78 CYS CB C 29.670 0.300 1 784 78 78 CYS N N 125.049 0.300 1 785 79 79 SER H H 8.114 0.030 1 786 79 79 SER HA H 4.308 0.030 1 787 79 79 SER HB2 H 3.857 0.030 2 788 79 79 SER HB3 H 3.989 0.030 2 789 79 79 SER C C 176.139 0.300 1 790 79 79 SER CA C 59.513 0.300 1 791 79 79 SER CB C 63.554 0.300 1 792 79 79 SER N N 121.308 0.300 1 793 80 80 GLY H H 8.664 0.030 1 794 80 80 GLY HA2 H 3.414 0.030 2 795 80 80 GLY HA3 H 3.908 0.030 2 796 80 80 GLY C C 170.398 0.300 1 797 80 80 GLY CA C 44.769 0.300 1 798 80 80 GLY N N 112.079 0.300 1 799 81 81 PRO HA H 3.701 0.030 1 800 81 81 PRO HB2 H 1.633 0.030 1 801 81 81 PRO HB3 H 1.633 0.030 1 802 81 81 PRO HG2 H 1.278 0.030 2 803 81 81 PRO HG3 H 1.626 0.030 2 804 81 81 PRO HD2 H 2.096 0.030 2 805 81 81 PRO HD3 H 3.100 0.030 2 806 81 81 PRO CA C 62.810 0.300 1 807 81 81 PRO CB C 31.594 0.300 1 808 81 81 PRO CG C 26.515 0.300 1 809 81 81 PRO CD C 48.773 0.300 1 810 82 82 SER H H 8.193 0.030 1 811 82 82 SER N N 116.745 0.300 1 stop_ save_