data_4574 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CIDE-N Domain of Human CIDE-B ; _BMRB_accession_number 4574 _BMRB_flat_file_name bmr4574.str _Entry_type original _Submission_date 2000-01-26 _Accession_date 2000-01-26 _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 Lugovskoy A. . . 2 Zhou P. . . 3 Chou J. . . 4 McCarty J. . . 5 Li P. . . 6 Wagner G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 590 "13C chemical shifts" 391 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-03-02 original author . stop_ _Original_release_date 2001-03-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Lugovskoy, A.A., Zhou, P., Chou, J.J., McCarty, J.S., Li, P., and Wagner, G., "Solution Structure of the CIDE-N Domain of CIDE-B and a Model for CIDE-N/CIDE-N Interactions in the DNA Fragmentation Pathway of Apoptosis," Cell 99, 747-755 (1999). ; _Citation_title ; Solution Structure of the CIDE-N Domain of CIDE-B and a Model for CIDE-N/CIDE-N Interactions in the DNA Fragmenttion Pathway of Apoptosis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20084446 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lugovskoy A. A . 2 Zhou P. . . 3 Chou J. J. . 4 McCarty J. S. . 5 Li P. . . 6 Wagner G. . . stop_ _Journal_abbreviation Cell _Journal_name_full Cell _Journal_volume 99 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 747 _Page_last 755 _Year 1999 _Details . loop_ _Keyword 'CIDE-N Domain' stop_ save_ ################################## # Molecular system description # ################################## save_system_cide-n_of_cide-b _Saveframe_category molecular_system _Mol_system_name 'CIDE-N DOMAIN OF HUMAN CIDE-B' _Abbreviation_common 'cide-n of cide-b' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Human Cell Death-Inducing Effector B' $cide-n_of_cide-b stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cide-n_of_cide-b _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Human Cell Death-Inducing Effector B' _Abbreviation_common 'cide-n of cide-b' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; MEYLSALNPSDLLRSVSNIS SEFGRRVWTSAPPPQRPFRV CDHKRTIRKGLTAATRQELL AKALETLLLNGVLTLVLEED GTAVDSEDFFQLLEDDTCLM VLQSGQSWSPTRSGVLHHHH HH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 TYR 4 LEU 5 SER 6 ALA 7 LEU 8 ASN 9 PRO 10 SER 11 ASP 12 LEU 13 LEU 14 ARG 15 SER 16 VAL 17 SER 18 ASN 19 ILE 20 SER 21 SER 22 GLU 23 PHE 24 GLY 25 ARG 26 ARG 27 VAL 28 TRP 29 THR 30 SER 31 ALA 32 PRO 33 PRO 34 PRO 35 GLN 36 ARG 37 PRO 38 PHE 39 ARG 40 VAL 41 CYS 42 ASP 43 HIS 44 LYS 45 ARG 46 THR 47 ILE 48 ARG 49 LYS 50 GLY 51 LEU 52 THR 53 ALA 54 ALA 55 THR 56 ARG 57 GLN 58 GLU 59 LEU 60 LEU 61 ALA 62 LYS 63 ALA 64 LEU 65 GLU 66 THR 67 LEU 68 LEU 69 LEU 70 ASN 71 GLY 72 VAL 73 LEU 74 THR 75 LEU 76 VAL 77 LEU 78 GLU 79 GLU 80 ASP 81 GLY 82 THR 83 ALA 84 VAL 85 ASP 86 SER 87 GLU 88 ASP 89 PHE 90 PHE 91 GLN 92 LEU 93 LEU 94 GLU 95 ASP 96 ASP 97 THR 98 CYS 99 LEU 100 MET 101 VAL 102 LEU 103 GLN 104 SER 105 GLY 106 GLN 107 SER 108 TRP 109 SER 110 PRO 111 THR 112 ARG 113 SER 114 GLY 115 VAL 116 LEU 117 HIS 118 HIS 119 HIS 120 HIS 121 HIS 122 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1D4B "Cide-N Domain Of Human Cide-B" 100.00 122 100.00 100.00 5.51e-83 DBJ BAA91132 "unnamed protein product [Homo sapiens]" 96.72 219 98.31 99.15 3.34e-76 DBJ BAG53748 "unnamed protein product [Homo sapiens]" 96.72 219 98.31 99.15 2.66e-76 DBJ BAJ21083 "cell death-inducing DFFA-like effector b [synthetic construct]" 96.72 219 98.31 99.15 3.34e-76 GB AAF23324 "CIDE-B apoptosis protein [Homo sapiens]" 96.72 219 98.31 99.15 4.63e-76 GB AAF27658 "Cide-b [Homo sapiens]" 96.72 219 98.31 99.15 3.34e-76 GB AAH35970 "CIDEB protein [Homo sapiens]" 96.72 219 98.31 99.15 3.34e-76 GB AAN37907 "cell death-inducing DFFA-like effector b [Homo sapiens]" 96.72 219 98.31 99.15 3.34e-76 GB ADQ32263 "cell death-inducing DFFA-like effector b [synthetic construct]" 96.72 219 98.31 99.15 3.34e-76 REF NP_055245 "cell death activator CIDE-B [Homo sapiens]" 96.72 219 98.31 99.15 3.34e-76 REF XP_002824673 "PREDICTED: cell death activator CIDE-B [Pongo abelii]" 96.72 219 97.46 99.15 7.81e-76 REF XP_004055057 "PREDICTED: cell death activator CIDE-B isoform 1 [Gorilla gorilla gorilla]" 96.72 219 97.46 99.15 1.09e-75 REF XP_004055058 "PREDICTED: cell death activator CIDE-B isoform 2 [Gorilla gorilla gorilla]" 96.72 219 97.46 99.15 1.09e-75 REF XP_005267597 "PREDICTED: cell death activator CIDE-B isoform X1 [Homo sapiens]" 96.72 219 98.31 99.15 3.34e-76 SP Q9UHD4 "RecName: Full=Cell death activator CIDE-B; AltName: Full=Cell death-inducing DFFA-like effector B" 96.72 219 98.31 99.15 3.34e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cide-n_of_cide-b Human 9606 Eukaryota . Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $cide-n_of_cide-b 'recombinant technology' Bacteria Escherichia coli . . 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 $cide-n_of_cide-b 0.5 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.18 loop_ _Task refinement stop_ _Details Brunger save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details Guntert save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Plus' _Field_strength 750 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.6 0.1 n/a temperature 298 0.1 K 'ionic strength' 0.15 0.01 M pressure 1 0.001 atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_label _Saveframe_category chemical_shift_reference _Details . 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 DSS H 1 'methyl protons' . . . indirect . . . 'methyl iodine' C 13 'methyl protons' . . . indirect . . . 15NHNO3 N 15 N . . . direct . . . 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference_label _Mol_system_component_name 'Human Cell Death-Inducing Effector B' _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 . 3 TYR C C 174.8 0.2 1 2 . 4 LEU N N 122.0 0.1 1 3 . 4 LEU H H 7.92 0.02 1 4 . 4 LEU CA C 60.9 0.2 1 5 . 4 LEU HA H 4.25 0.02 1 6 . 4 LEU CB C 38.1 0.2 1 7 . 4 LEU HB2 H 1.09 0.02 1 8 . 4 LEU HB3 H 1.09 0.02 1 9 . 4 LEU HG H 1.36 0.02 1 10 . 4 LEU HD1 H 0.77 0.02 2 11 . 4 LEU HD2 H 0.68 0.02 2 12 . 4 LEU CD1 C 23.6 0.2 1 13 . 4 LEU CD2 C 25.1 0.2 1 14 . 4 LEU C C 173.9 0.2 1 15 . 5 SER N N 118.9 0.1 1 16 . 5 SER H H 8.26 0.02 1 17 . 5 SER CA C 58.1 0.2 1 18 . 5 SER HA H 4.34 0.02 1 19 . 5 SER CB C 63.8 0.2 1 20 . 5 SER HB2 H 3.82 0.02 2 21 . 5 SER HB3 H 3.75 0.02 2 22 . 5 SER C C 172.5 0.2 1 23 . 6 ALA N N 120.4 0.1 1 24 . 6 ALA H H 7.97 0.02 1 25 . 6 ALA CA C 52.2 0.2 1 26 . 6 ALA HA H 4.23 0.02 1 27 . 6 ALA HB H 0.75 0.02 1 28 . 6 ALA CB C 19.0 0.2 1 29 . 6 ALA C C 175.0 0.2 1 30 . 7 LEU N N 120.8 0.1 1 31 . 7 LEU H H 8.15 0.02 1 32 . 7 LEU CA C 54.8 0.2 1 33 . 7 LEU HA H 4.21 0.02 1 34 . 7 LEU CB C 41.9 0.2 1 35 . 7 LEU HB2 H 1.43 0.02 1 36 . 7 LEU HB3 H 1.43 0.02 1 37 . 7 LEU HG H 1.50 0.02 1 38 . 7 LEU HD1 H 0.79 0.02 2 39 . 7 LEU HD2 H 0.73 0.02 2 40 . 7 LEU CD1 C 24.4 0.2 1 41 . 7 LEU CD2 C 23.5 0.2 1 42 . 7 LEU C C 174.3 0.2 1 43 . 8 ASN N N 120.4 0.1 1 44 . 8 ASN H H 8.39 0.02 1 45 . 8 ASN CA C 50.8 0.2 1 46 . 8 ASN HA H 4.86 0.02 1 47 . 8 ASN CB C 38.6 0.2 1 48 . 8 ASN HB2 H 2.77 0.02 2 49 . 8 ASN HB3 H 2.61 0.02 2 50 . 8 ASN C C 171.5 0.2 1 51 . 9 PRO CA C 63.9 0.2 1 52 . 9 PRO CB C 31.6 0.2 1 53 . 9 PRO C C 175.4 0.2 1 54 . 10 SER N N 113.8 0.1 1 55 . 10 SER H H 8.18 0.02 1 56 . 10 SER CA C 59.3 0.2 1 57 . 10 SER HA H 4.22 0.02 1 58 . 10 SER CB C 63.1 0.2 1 59 . 10 SER HB2 H 4.04 0.02 2 60 . 10 SER HB3 H 3.89 0.02 2 61 . 10 SER C C 172.8 0.2 1 62 . 11 ASP N N 121.6 0.1 1 63 . 11 ASP H H 8.04 0.02 1 64 . 11 ASP CA C 54.9 0.2 1 65 . 11 ASP HA H 4.43 0.02 1 66 . 11 ASP CB C 41.0 0.2 1 67 . 11 ASP HB2 H 2.62 0.02 1 68 . 11 ASP HB3 H 2.62 0.02 1 69 . 11 ASP C C 174.5 0.2 1 70 . 12 LEU N N 120.8 0.1 1 71 . 12 LEU H H 7.76 0.02 1 72 . 12 LEU CA C 55.7 0.2 1 73 . 12 LEU HA H 4.13 0.02 1 74 . 12 LEU CB C 41.1 0.2 1 75 . 12 LEU HB2 H 1.51 0.02 1 76 . 12 LEU HB3 H 1.51 0.02 1 77 . 12 LEU HG H 1.40 0.02 1 78 . 12 LEU HD1 H 0.82 0.02 2 79 . 12 LEU HD2 H 0.75 0.02 2 80 . 12 LEU CD1 C 24.5 0.2 1 81 . 12 LEU CD2 C 23.3 0.2 1 82 . 12 LEU C C 175.4 0.2 1 83 . 13 LEU N N 120.2 0.1 1 84 . 13 LEU H H 7.83 0.02 1 85 . 13 LEU CA C 55.3 0.2 1 86 . 13 LEU HA H 4.01 0.02 1 87 . 13 LEU CB C 41.1 0.2 1 88 . 13 LEU HB2 H 1.46 0.02 1 89 . 13 LEU HB3 H 1.46 0.02 1 90 . 13 LEU HG H 1.55 0.02 1 91 . 13 LEU CD1 C 23.6 0.2 1 92 . 13 LEU HD1 H 0.75 0.02 1 93 . 13 LEU HD2 H 0.75 0.02 1 94 . 13 LEU C C 173.9 0.2 1 95 . 14 ARG N N 120.4 0.1 1 96 . 14 ARG H H 7.74 0.02 1 97 . 14 ARG CA C 55.9 0.2 1 98 . 14 ARG HA H 4.20 0.02 1 99 . 14 ARG CB C 30.0 0.2 1 100 . 14 ARG HB2 H 1.50 0.02 1 101 . 14 ARG HB3 H 1.50 0.02 1 102 . 14 ARG HG2 H 1.75 0.02 1 103 . 14 ARG HG3 H 1.75 0.02 1 104 . 14 ARG HD2 H 3.10 0.02 1 105 . 14 ARG HD3 H 3.10 0.02 1 106 . 14 ARG C C 174.1 0.2 1 107 . 15 SER N N 115.8 0.1 1 108 . 15 SER H H 8.22 0.02 1 109 . 15 SER CA C 58.1 0.2 1 110 . 15 SER HA H 4.24 0.02 1 111 . 15 SER CB C 63.6 0.2 1 112 . 15 SER HB2 H 3.76 0.02 1 113 . 15 SER HB3 H 3.76 0.02 1 114 . 15 SER C C 172.7 0.2 1 115 . 16 VAL N N 120.6 0.1 1 116 . 16 VAL H H 8.00 0.02 1 117 . 16 VAL CA C 61.9 0.2 1 118 . 16 VAL HA H 4.00 0.02 1 119 . 16 VAL CB C 32.2 0.2 1 120 . 16 VAL HB H 1.88 0.02 1 121 . 16 VAL HG1 H 0.77 0.02 1 122 . 16 VAL HG2 H 0.77 0.02 1 123 . 16 VAL CG1 C 21.0 0.2 1 124 . 16 VAL CG2 C 20.0 0.2 1 125 . 16 VAL C C 172.6 0.2 1 126 . 17 SER N N 120.3 0.1 1 127 . 17 SER H H 7.95 0.02 1 128 . 17 SER HA H 4.07 0.02 1 129 . 17 SER HB2 H 3.79 0.02 1 130 . 17 SER HB3 H 3.79 0.02 1 131 . 17 SER C C 174.0 0.2 1 132 . 18 ASN N N 119.3 0.1 1 133 . 18 ASN H H 8.29 0.02 1 134 . 18 ASN CA C 55.7 0.2 1 135 . 18 ASN HA H 4.37 0.02 1 136 . 18 ASN C C 171.8 0.2 1 137 . 19 ILE N N 120.9 0.1 1 138 . 19 ILE H H 7.98 0.02 1 139 . 19 ILE CA C 61.2 0.2 1 140 . 19 ILE HA H 4.06 0.02 1 141 . 19 ILE CB C 32.4 0.2 1 142 . 19 ILE HB H 1.76 0.02 1 143 . 19 ILE HG2 H 0.78 0.02 1 144 . 19 ILE CG2 C 17.5 0.2 1 145 . 19 ILE HG12 H 1.35 0.02 2 146 . 19 ILE HG13 H 1.07 0.02 2 147 . 19 ILE HD1 H 0.73 0.02 1 148 . 19 ILE CD1 C 12.9 0.2 1 149 . 19 ILE C C 173.0 0.2 1 150 . 20 SER N N 117.9 0.1 1 151 . 20 SER H H 8.14 0.02 1 152 . 20 SER CA C 58.1 0.2 1 153 . 20 SER HA H 4.34 0.02 1 154 . 20 SER CB C 63.6 0.2 1 155 . 20 SER HB2 H 3.76 0.02 1 156 . 20 SER HB3 H 3.76 0.02 1 157 . 20 SER C C 172.6 0.2 1 158 . 21 SER N N 117.9 0.1 1 159 . 21 SER H H 8.25 0.02 1 160 . 21 SER CA C 58.3 0.2 1 161 . 21 SER HA H 4.34 0.02 1 162 . 21 SER CB C 63.8 0.2 1 163 . 21 SER HB2 H 3.74 0.02 2 164 . 21 SER HB3 H 3.49 0.02 2 165 . 21 SER C C 172.4 0.2 1 166 . 22 GLU N N 122.0 0.1 1 167 . 22 GLU H H 8.31 0.02 1 168 . 22 GLU CA C 56.6 0.2 1 169 . 22 GLU HA H 4.08 0.02 1 170 . 22 GLU CB C 29.6 0.2 1 171 . 22 GLU HB2 H 1.81 0.02 2 172 . 22 GLU HB3 H 1.74 0.02 2 173 . 22 GLU HG2 H 2.02 0.02 2 174 . 22 GLU HG3 H 1.94 0.02 2 175 . 22 GLU C C 174.2 0.2 1 176 . 23 PHE N N 120.0 0.1 1 177 . 23 PHE H H 8.05 0.02 1 178 . 23 PHE CA C 58.1 0.2 1 179 . 23 PHE HA H 4.42 0.02 1 180 . 23 PHE CB C 39.1 0.2 1 181 . 23 PHE HB2 H 3.09 0.02 2 182 . 23 PHE HB3 H 2.95 0.02 2 183 . 23 PHE HD1 H 7.16 0.02 1 184 . 23 PHE HD2 H 7.16 0.02 1 185 . 23 PHE HE1 H 7.28 0.02 1 186 . 23 PHE HE2 H 7.28 0.02 1 187 . 23 PHE C C 174.2 0.2 1 188 . 24 GLY N N 109.6 0.1 1 189 . 24 GLY H H 8.15 0.02 1 190 . 24 GLY CA C 45.2 0.2 1 191 . 24 GLY HA2 H 3.76 0.02 1 192 . 24 GLY HA3 H 3.76 0.02 1 193 . 24 GLY C C 171.6 0.2 1 194 . 25 ARG N N 119.9 0.1 1 195 . 25 ARG H H 7.87 0.02 1 196 . 25 ARG CA C 55.6 0.2 1 197 . 25 ARG HA H 4.17 0.02 1 198 . 25 ARG CB C 30.3 0.2 1 199 . 25 ARG HB2 H 1.68 0.02 1 200 . 25 ARG HB3 H 1.68 0.02 1 201 . 25 ARG HG2 H 1.47 0.02 1 202 . 25 ARG HG3 H 1.47 0.02 1 203 . 25 ARG HD2 H 2.94 0.02 1 204 . 25 ARG HD3 H 2.94 0.02 1 205 . 25 ARG C C 173.8 0.2 1 206 . 26 ARG N N 122.2 0.1 1 207 . 26 ARG H H 8.17 0.02 1 208 . 26 ARG CA C 54.8 0.2 1 209 . 26 ARG HA H 4.19 0.02 1 210 . 26 ARG CB C 30.0 0.2 1 211 . 26 ARG HB2 H 1.45 0.02 1 212 . 26 ARG HB3 H 1.45 0.02 1 213 . 26 ARG HG2 H 1.30 0.02 1 214 . 26 ARG HG3 H 1.30 0.02 1 215 . 26 ARG HD2 H 3.03 0.02 1 216 . 26 ARG HD3 H 3.03 0.02 1 217 . 26 ARG C C 173.6 0.2 1 218 . 27 VAL N N 120.8 0.1 1 219 . 27 VAL H H 7.98 0.02 1 220 . 27 VAL CA C 61.8 0.2 1 221 . 27 VAL HA H 4.10 0.02 1 222 . 27 VAL CB C 32.2 0.2 1 223 . 27 VAL HB H 2.04 0.02 1 224 . 27 VAL CG1 C 21.3 0.2 1 225 . 27 VAL CG2 C 20.3 0.2 1 226 . 27 VAL HG1 H 0.80 0.02 2 227 . 27 VAL C C 173.6 0.2 1 228 . 28 TRP N N 125.1 0.1 1 229 . 28 TRP H H 8.27 0.02 1 230 . 28 TRP CA C 57.0 0.2 1 231 . 28 TRP HA H 4.66 0.02 1 232 . 28 TRP CB C 29.7 0.2 1 233 . 28 TRP HB2 H 3.25 0.02 2 234 . 28 TRP HB3 H 3.10 0.02 2 235 . 28 TRP NE1 N 129.5 0.1 1 236 . 28 TRP HD1 H 7.14 0.02 1 237 . 28 TRP HE1 H 10.03 0.02 1 238 . 28 TRP HZ2 H 7.37 0.02 1 239 . 28 TRP C C 173.7 0.2 1 240 . 29 THR N N 115.4 0.1 1 241 . 29 THR H H 7.85 0.02 1 242 . 29 THR CA C 60.8 0.2 1 243 . 29 THR HA H 4.23 0.02 1 244 . 29 THR CB C 69.5 0.2 1 245 . 29 THR HB H 3.94 0.02 1 246 . 29 THR HG2 H 1.02 0.02 1 247 . 29 THR CG2 C 21.0 0.2 1 248 . 29 THR C C 172.1 0.2 1 249 . 30 SER N N 117.1 0.1 1 250 . 30 SER H H 8.03 0.02 1 251 . 30 SER CA C 57.8 0.2 1 252 . 30 SER HA H 4.26 0.02 1 253 . 30 SER CB C 63.7 0.2 1 254 . 30 SER HB2 H 3.74 0.02 1 255 . 30 SER HB3 H 3.74 0.02 1 256 . 30 SER C C 171.2 0.2 1 257 . 31 ALA N N 126.6 0.1 1 258 . 31 ALA H H 8.03 0.02 1 259 . 31 ALA CA C 50.1 0.2 1 260 . 31 ALA HA H 4.46 0.02 1 261 . 31 ALA HB H 1.23 0.02 1 262 . 31 ALA CB C 18.1 0.2 1 263 . 31 ALA C C 172.3 0.2 1 264 . 34 PRO CA C 62.0 0.2 1 265 . 34 PRO CB C 31.9 0.2 1 266 . 34 PRO HG2 H 2.25 0.02 1 267 . 34 PRO HG3 H 2.25 0.02 1 268 . 34 PRO C C 173.8 0.2 1 269 . 35 GLN N N 117.9 0.1 1 270 . 35 GLN H H 8.17 0.02 1 271 . 35 GLN CA C 55.5 0.2 1 272 . 35 GLN HA H 3.60 0.02 1 273 . 35 GLN CB C 28.9 0.2 1 274 . 35 GLN HB2 H 1.83 0.02 2 275 . 35 GLN HB3 H 1.72 0.02 2 276 . 35 GLN HG2 H 2.27 0.02 1 277 . 35 GLN HG3 H 2.27 0.02 1 278 . 35 GLN C C 173.4 0.2 1 279 . 36 ARG N N 124.5 0.1 1 280 . 36 ARG H H 7.91 0.02 1 281 . 36 ARG CA C 53.4 0.2 1 282 . 36 ARG HA H 4.61 0.02 1 283 . 36 ARG CB C 30.9 0.2 1 284 . 36 ARG HB2 H 1.70 0.02 2 285 . 36 ARG HB3 H 1.46 0.02 2 286 . 36 ARG HG2 H 1.32 0.02 2 287 . 36 ARG HG3 H 1.26 0.02 2 288 . 36 ARG HD2 H 2.68 0.02 1 289 . 36 ARG HD3 H 2.68 0.02 1 290 . 36 ARG C C 169.8 0.2 1 291 . 37 PRO CA C 61.9 0.2 1 292 . 37 PRO HA H 4.79 0.02 1 293 . 37 PRO CB C 32.4 0.2 1 294 . 37 PRO HB2 H 1.84 0.02 1 295 . 37 PRO HB3 H 1.84 0.02 1 296 . 37 PRO HG2 H 2.26 0.02 1 297 . 37 PRO HG3 H 2.26 0.02 1 298 . 37 PRO HD2 H 3.48 0.02 2 299 . 37 PRO HD3 H 3.29 0.02 2 300 . 37 PRO C C 172.8 0.2 1 301 . 38 PHE N N 125.3 0.1 1 302 . 38 PHE H H 8.02 0.02 1 303 . 38 PHE CA C 54.6 0.2 1 304 . 38 PHE HA H 4.30 0.02 1 305 . 38 PHE CB C 40.9 0.2 1 306 . 38 PHE HB2 H 3.06 0.02 2 307 . 38 PHE HB3 H 2.93 0.02 2 308 . 38 PHE HD1 H 6.94 0.02 1 309 . 38 PHE HD2 H 6.94 0.02 1 310 . 38 PHE HE1 H 7.08 0.02 1 311 . 38 PHE HE2 H 7.08 0.02 1 312 . 38 PHE C C 174.3 0.2 1 313 . 39 ARG N N 119.7 0.1 1 314 . 39 ARG H H 8.05 0.02 1 315 . 39 ARG CA C 54.3 0.2 1 316 . 39 ARG HA H 5.22 0.02 1 317 . 39 ARG CB C 38.6 0.2 1 318 . 39 ARG HB2 H 1.52 0.02 1 319 . 39 ARG HB3 H 1.52 0.02 1 320 . 39 ARG C C 172.7 0.2 1 321 . 40 VAL N N 114.1 0.1 1 322 . 40 VAL H H 9.05 0.02 1 323 . 40 VAL CA C 58.1 0.2 1 324 . 40 VAL HA H 5.87 0.02 1 325 . 40 VAL CB C 35.4 0.2 1 326 . 40 VAL HB H 2.00 0.02 1 327 . 40 VAL HG1 H 0.75 0.02 2 328 . 40 VAL HG2 H 0.64 0.02 2 329 . 40 VAL CG1 C 22.5 0.2 1 330 . 40 VAL CG2 C 19.3 0.2 1 331 . 40 VAL C C 172.4 0.2 1 332 . 41 CYS N N 116.7 0.1 1 333 . 41 CYS H H 8.56 0.02 1 334 . 41 CYS CA C 54.8 0.2 1 335 . 41 CYS HA H 5.73 0.02 1 336 . 41 CYS CB C 33.7 0.2 1 337 . 41 CYS HB2 H 3.09 0.02 2 338 . 41 CYS HB3 H 2.66 0.02 2 339 . 41 CYS C C 169.4 0.2 1 340 . 42 ASP N N 117.1 0.1 1 341 . 42 ASP H H 8.73 0.02 1 342 . 42 ASP CA C 52.1 0.2 1 343 . 42 ASP HA H 4.88 0.02 1 344 . 42 ASP CB C 41.9 0.2 1 345 . 42 ASP HB2 H 3.34 0.02 2 346 . 42 ASP HB3 H 2.35 0.02 2 347 . 42 ASP C C 176.2 0.2 1 348 . 43 HIS N N 119.1 0.1 1 349 . 43 HIS H H 9.81 0.02 1 350 . 43 HIS CA C 57.4 0.2 1 351 . 43 HIS HA H 4.92 0.02 1 352 . 43 HIS CB C 30.9 0.2 1 353 . 43 HIS HB2 H 3.01 0.02 1 354 . 43 HIS HB3 H 3.01 0.02 1 355 . 43 HIS HD1 H 7.00 0.02 1 356 . 43 HIS HD2 H 7.28 0.02 1 357 . 43 HIS C C 173.4 0.2 1 358 . 44 LYS N N 119.1 0.1 1 359 . 44 LYS H H 7.04 0.02 1 360 . 44 LYS CA C 54.6 0.2 1 361 . 44 LYS HA H 4.06 0.02 1 362 . 44 LYS CB C 31.9 0.2 1 363 . 44 LYS HB2 H 1.38 0.02 2 364 . 44 LYS HB3 H 1.32 0.02 2 365 . 44 LYS CG C 28.4 0.2 1 366 . 44 LYS HG2 H 1.70 0.02 2 367 . 44 LYS HG3 H 1.65 0.02 2 368 . 44 LYS CD C 23.9 0.2 1 369 . 44 LYS HD2 H 0.43 0.02 1 370 . 44 LYS HD3 H 0.43 0.02 1 371 . 44 LYS CE C 41.4 0.2 1 372 . 44 LYS HE2 H 2.74 0.02 1 373 . 44 LYS HE3 H 2.74 0.02 1 374 . 44 LYS C C 172.9 0.2 1 375 . 45 ARG N N 116.7 0.1 1 376 . 45 ARG H H 8.04 0.02 1 377 . 45 ARG CA C 57.3 0.2 1 378 . 45 ARG HA H 3.40 0.02 1 379 . 45 ARG CB C 26.4 0.2 1 380 . 45 ARG HB2 H 1.35 0.02 1 381 . 45 ARG HB3 H 1.35 0.02 1 382 . 45 ARG HG2 H 1.69 0.02 1 383 . 45 ARG HG3 H 1.69 0.02 1 384 . 45 ARG HD2 H 3.11 0.02 1 385 . 45 ARG HD3 H 3.11 0.02 1 386 . 45 ARG C C 173.2 0.2 1 387 . 46 THR N N 114.8 0.1 1 388 . 46 THR H H 9.54 0.02 1 389 . 46 THR CA C 64.1 0.2 1 390 . 46 THR HA H 3.99 0.02 1 391 . 46 THR CB C 69.5 0.2 1 392 . 46 THR HB H 4.05 0.02 1 393 . 46 THR HG2 H 1.07 0.02 1 394 . 46 THR CG2 C 22.1 0.2 1 395 . 46 THR C C 172.7 0.2 1 396 . 47 ILE N N 122.2 0.1 1 397 . 47 ILE H H 8.19 0.02 1 398 . 47 ILE CA C 60.1 0.2 1 399 . 47 ILE HA H 4.16 0.02 1 400 . 47 ILE CB C 40.1 0.2 1 401 . 47 ILE HB H 1.65 0.02 1 402 . 47 ILE HG2 H 0.78 0.02 1 403 . 47 ILE CG2 C 17.5 0.2 1 404 . 47 ILE HG12 H 1.44 0.02 1 405 . 47 ILE HG13 H 1.44 0.02 1 406 . 47 ILE HD1 H 0.74 0.02 1 407 . 47 ILE CD1 C 13.7 0.2 1 408 . 47 ILE C C 171.2 0.2 1 409 . 48 ARG N N 124.1 0.1 1 410 . 48 ARG H H 8.07 0.02 1 411 . 48 ARG CA C 54.6 0.2 1 412 . 48 ARG HA H 5.01 0.02 1 413 . 48 ARG CB C 31.6 0.2 1 414 . 48 ARG HB2 H 1.37 0.02 2 415 . 48 ARG HB3 H 1.29 0.02 2 416 . 48 ARG HG2 H 1.24 0.02 1 417 . 48 ARG HG3 H 1.24 0.02 1 418 . 48 ARG HD2 H 2.66 0.02 1 419 . 48 ARG HD3 H 2.66 0.02 1 420 . 48 ARG C C 173.4 0.2 1 421 . 49 LYS N N 123.3 0.1 1 422 . 49 LYS H H 8.82 0.02 1 423 . 49 LYS CA C 53.6 0.2 1 424 . 49 LYS HA H 4.67 0.02 1 425 . 49 LYS CB C 36.1 0.2 1 426 . 49 LYS HB2 H 1.53 0.02 2 427 . 49 LYS HB3 H 1.40 0.02 2 428 . 49 LYS HG2 H 1.27 0.02 1 429 . 49 LYS HG3 H 1.27 0.02 1 430 . 49 LYS C C 173.0 0.2 1 431 . 50 GLY N N 110.0 0.1 1 432 . 50 GLY H H 8.63 0.02 1 433 . 50 GLY CA C 44.6 0.2 1 434 . 50 GLY HA2 H 4.69 0.02 2 435 . 50 GLY HA3 H 3.53 0.02 2 436 . 50 GLY C C 170.5 0.2 1 437 . 51 LEU N N 121.7 0.1 1 438 . 51 LEU H H 8.63 0.02 1 439 . 51 LEU CA C 53.6 0.2 1 440 . 51 LEU HA H 4.79 0.02 1 441 . 51 LEU CB C 45.0 0.2 1 442 . 51 LEU HB2 H 1.75 0.02 1 443 . 51 LEU HB3 H 1.75 0.02 1 444 . 51 LEU HG H 1.51 0.02 1 445 . 51 LEU HD1 H 0.81 0.02 2 446 . 51 LEU HD2 H 0.68 0.02 2 447 . 51 LEU CD1 C 25.5 0.2 1 448 . 51 LEU CD2 C 25.2 0.2 1 449 . 51 LEU C C 173.5 0.2 1 450 . 52 THR N N 110.9 0.1 1 451 . 52 THR H H 8.16 0.02 1 452 . 52 THR CA C 59.4 0.2 1 453 . 52 THR HA H 5.53 0.02 1 454 . 52 THR CB C 71.1 0.2 1 455 . 52 THR HB H 3.79 0.02 1 456 . 52 THR HG2 H 0.85 0.02 1 457 . 52 THR CG2 C 20.5 0.2 1 458 . 52 THR C C 171.5 0.2 1 459 . 53 ALA N N 121.6 0.1 1 460 . 53 ALA H H 9.41 0.02 1 461 . 53 ALA CA C 52.2 0.2 1 462 . 53 ALA HA H 4.65 0.02 1 463 . 53 ALA HB H 1.45 0.02 1 464 . 53 ALA CB C 23.4 0.2 1 465 . 53 ALA C C 174.5 0.2 1 466 . 54 ALA N N 121.6 0.1 1 467 . 54 ALA H H 9.23 0.02 1 468 . 54 ALA CA C 52.0 0.2 1 469 . 54 ALA HA H 5.03 0.02 1 470 . 54 ALA HB H 1.28 0.02 1 471 . 54 ALA CB C 21.6 0.2 1 472 . 54 ALA C C 175.5 0.2 1 473 . 55 THR N N 104.5 0.1 1 474 . 55 THR H H 7.00 0.02 1 475 . 55 THR CA C 58.1 0.2 1 476 . 55 THR HA H 4.46 0.02 1 477 . 55 THR CB C 72.9 0.2 1 478 . 55 THR HB H 4.60 0.02 1 479 . 55 THR HG2 H 1.06 0.02 1 480 . 55 THR CG2 C 21.5 0.2 1 481 . 55 THR C C 170.8 0.2 1 482 . 56 ARG N N 126.2 0.1 1 483 . 56 ARG H H 10.26 0.02 1 484 . 56 ARG CA C 58.2 0.2 1 485 . 56 ARG HA H 4.37 0.02 1 486 . 56 ARG CB C 28.4 0.2 1 487 . 56 ARG HB2 H 2.24 0.02 1 488 . 56 ARG HB3 H 2.24 0.02 1 489 . 56 ARG HD2 H 3.17 0.02 1 490 . 56 ARG HD3 H 3.17 0.02 1 491 . 56 ARG C C 175.2 0.2 1 492 . 57 GLN N N 112.7 0.1 1 493 . 57 GLN H H 8.06 0.02 1 494 . 57 GLN CA C 58.4 0.2 1 495 . 57 GLN HA H 3.95 0.02 1 496 . 57 GLN HB2 H 2.14 0.02 2 497 . 57 GLN HB3 H 2.02 0.02 2 498 . 57 GLN HG2 H 2.37 0.02 1 499 . 57 GLN HG3 H 2.37 0.02 1 500 . 57 GLN C C 175.2 0.2 1 501 . 58 GLU N N 117.1 0.1 1 502 . 58 GLU H H 8.13 0.02 1 503 . 58 GLU CA C 58.4 0.2 1 504 . 58 GLU HA H 3.63 0.02 1 505 . 58 GLU CB C 28.1 0.2 1 506 . 58 GLU HB2 H 2.31 0.02 2 507 . 58 GLU HB3 H 2.22 0.02 2 508 . 58 GLU HG2 H 1.88 0.02 1 509 . 58 GLU HG3 H 1.88 0.02 1 510 . 58 GLU C C 176.0 0.2 1 511 . 59 LEU N N 120.8 0.1 1 512 . 59 LEU H H 7.83 0.02 1 513 . 59 LEU CA C 58.4 0.2 1 514 . 59 LEU HA H 3.63 0.02 1 515 . 59 LEU CB C 39.9 0.2 1 516 . 59 LEU HB2 H 1.55 0.02 1 517 . 59 LEU HB3 H 1.55 0.02 1 518 . 59 LEU HG H 1.18 0.02 1 519 . 59 LEU HD1 H 0.70 0.02 2 520 . 59 LEU HD2 H 0.57 0.02 2 521 . 59 LEU CD1 C 25.6 0.2 1 522 . 59 LEU CD2 C 26.1 0.2 1 523 . 59 LEU C C 176.4 0.2 1 524 . 60 LEU N N 117.5 0.1 1 525 . 60 LEU H H 8.04 0.02 1 526 . 60 LEU CA C 57.8 0.2 1 527 . 60 LEU HA H 3.65 0.02 1 528 . 60 LEU CB C 41.1 0.2 1 529 . 60 LEU HB2 H 1.76 0.02 1 530 . 60 LEU HB3 H 1.76 0.02 1 531 . 60 LEU HG H 1.32 0.02 1 532 . 60 LEU HD1 H 0.67 0.02 2 533 . 60 LEU HD2 H 0.62 0.02 2 534 . 60 LEU CD1 C 25.3 0.2 1 535 . 60 LEU CD2 C 24.0 0.2 1 536 . 60 LEU C C 176.4 0.2 1 537 . 61 ALA N N 121.6 0.1 1 538 . 61 ALA H H 7.63 0.02 1 539 . 61 ALA CA C 54.9 0.2 1 540 . 61 ALA HA H 4.00 0.02 1 541 . 61 ALA HB H 1.42 0.02 1 542 . 61 ALA CB C 17.6 0.2 1 543 . 61 ALA C C 178.9 0.2 1 544 . 62 LYS N N 117.9 0.1 1 545 . 62 LYS H H 8.35 0.02 1 546 . 62 LYS CA C 58.9 0.2 1 547 . 62 LYS HA H 4.12 0.02 1 548 . 62 LYS CB C 33.6 0.2 1 549 . 62 LYS HB2 H 1.81 0.02 1 550 . 62 LYS HB3 H 1.81 0.02 1 551 . 62 LYS HG2 H 1.29 0.02 1 552 . 62 LYS HG3 H 1.29 0.02 1 553 . 62 LYS HD2 H 1.57 0.02 1 554 . 62 LYS HD3 H 1.57 0.02 1 555 . 62 LYS HE2 H 3.65 0.02 1 556 . 62 LYS HE3 H 3.65 0.02 1 557 . 62 LYS C C 177.8 0.2 1 558 . 63 ALA N N 123.7 0.1 1 559 . 63 ALA H H 9.10 0.02 1 560 . 63 ALA CA C 54.9 0.2 1 561 . 63 ALA HA H 3.67 0.02 1 562 . 63 ALA HB H 1.23 0.02 1 563 . 63 ALA CB C 18.4 0.2 1 564 . 63 ALA C C 175.9 0.2 1 565 . 64 LEU N N 117.7 0.1 1 566 . 64 LEU H H 7.62 0.02 1 567 . 64 LEU CA C 59.2 0.2 1 568 . 64 LEU HA H 3.60 0.02 1 569 . 64 LEU CB C 41.4 0.2 1 570 . 64 LEU HB2 H 1.46 0.02 1 571 . 64 LEU HB3 H 1.46 0.02 1 572 . 64 LEU HG H 1.25 0.02 1 573 . 64 LEU HD1 H 0.76 0.02 2 574 . 64 LEU HD2 H 0.66 0.02 2 575 . 64 LEU CD1 C 25.3 0.2 1 576 . 64 LEU CD2 C 25.8 0.2 1 577 . 64 LEU C C 176.2 0.2 1 578 . 65 GLU N N 114.2 0.1 1 579 . 65 GLU H H 6.94 0.02 1 580 . 65 GLU CA C 58.0 0.2 1 581 . 65 GLU HA H 4.12 0.02 1 582 . 65 GLU CB C 30.0 0.2 1 583 . 65 GLU HB2 H 2.06 0.02 2 584 . 65 GLU HB3 H 1.99 0.02 2 585 . 65 GLU HG2 H 2.31 0.02 2 586 . 65 GLU HG3 H 2.17 0.02 2 587 . 65 GLU C C 176.5 0.2 1 588 . 66 THR N N 113.3 0.1 1 589 . 66 THR H H 8.17 0.02 1 590 . 66 THR CA C 65.3 0.2 1 591 . 66 THR HA H 4.04 0.02 1 592 . 66 THR CB C 69.1 0.2 1 593 . 66 THR HB H 3.89 0.02 1 594 . 66 THR HG2 H 1.05 0.02 1 595 . 66 THR CG2 C 21.8 0.2 1 596 . 66 THR C C 172.5 0.2 1 597 . 67 LEU N N 117.7 0.1 1 598 . 67 LEU H H 8.12 0.02 1 599 . 67 LEU CA C 54.1 0.2 1 600 . 67 LEU HA H 4.33 0.02 1 601 . 67 LEU CB C 40.8 0.2 1 602 . 67 LEU HB2 H 1.74 0.02 2 603 . 67 LEU HB3 H 1.69 0.02 2 604 . 67 LEU HG H 1.45 0.02 1 605 . 67 LEU HD1 H 0.62 0.02 2 606 . 67 LEU HD2 H 0.69 0.02 2 607 . 67 LEU CD1 C 26.3 0.2 1 608 . 67 LEU CD2 C 22.8 0.2 1 609 . 67 LEU C C 172.4 0.2 1 610 . 68 LEU N N 115.8 0.1 1 611 . 68 LEU H H 7.21 0.02 1 612 . 68 LEU CA C 55.5 0.2 1 613 . 68 LEU HA H 4.04 0.02 1 614 . 68 LEU CB C 37.1 0.2 1 615 . 68 LEU HB2 H 1.93 0.02 1 616 . 68 LEU HB3 H 1.93 0.02 1 617 . 68 LEU HG H 1.45 0.02 1 618 . 68 LEU HD1 H 0.84 0.02 2 619 . 68 LEU HD2 H 0.81 0.02 2 620 . 68 LEU CD1 C 25.3 0.2 1 621 . 68 LEU CD2 C 23.5 0.2 1 622 . 68 LEU C C 174.1 0.2 1 623 . 69 LEU N N 117.5 0.1 1 624 . 69 LEU H H 7.60 0.02 1 625 . 69 LEU CA C 52.8 0.2 1 626 . 69 LEU HA H 4.56 0.02 1 627 . 69 LEU CB C 44.0 0.2 1 628 . 69 LEU HB2 H 1.45 0.02 1 629 . 69 LEU HB3 H 1.45 0.02 1 630 . 69 LEU HG H 1.43 0.02 1 631 . 69 LEU HD1 H 0.74 0.02 2 632 . 69 LEU HD2 H 0.64 0.02 2 633 . 69 LEU C C 172.5 0.2 1 634 . 70 ASN N N 114.2 0.1 1 635 . 70 ASN H H 7.82 0.02 1 636 . 70 ASN CA C 52.8 0.2 1 637 . 70 ASN HA H 4.71 0.02 1 638 . 70 ASN CB C 42.6 0.2 1 639 . 70 ASN HB2 H 2.49 0.02 1 640 . 70 ASN HB3 H 2.49 0.02 1 641 . 70 ASN HD21 H 7.28 0.02 1 642 . 70 ASN HD22 H 7.28 0.02 1 643 . 70 ASN C C 171.7 0.2 1 644 . 71 GLY N N 108.4 0.1 1 645 . 71 GLY H H 8.31 0.02 1 646 . 71 GLY CA C 44.4 0.2 1 647 . 71 GLY HA2 H 3.99 0.02 2 648 . 71 GLY HA3 H 3.60 0.02 2 649 . 71 GLY C C 170.2 0.2 1 650 . 72 VAL N N 119.9 0.1 1 651 . 72 VAL H H 8.04 0.02 1 652 . 72 VAL CA C 63.0 0.2 1 653 . 72 VAL HA H 3.76 0.02 1 654 . 72 VAL CB C 31.6 0.2 1 655 . 72 VAL HB H 1.83 0.02 1 656 . 72 VAL HG1 H 0.81 0.02 2 657 . 72 VAL HG2 H 0.82 0.02 2 658 . 72 VAL CG1 C 21.0 0.2 1 659 . 72 VAL CG2 C 21.3 0.2 1 660 . 72 VAL C C 174.2 0.2 1 661 . 73 LEU N N 127.8 0.1 1 662 . 73 LEU H H 8.23 0.02 1 663 . 73 LEU CA C 52.8 0.2 1 664 . 73 LEU HA H 5.17 0.02 1 665 . 73 LEU CB C 43.9 0.2 1 666 . 73 LEU HB2 H 1.56 0.02 2 667 . 73 LEU HB3 H 1.10 0.02 2 668 . 73 LEU HG H 1.09 0.02 1 669 . 73 LEU HD1 H 0.67 0.02 2 670 . 73 LEU HD2 H 0.46 0.02 2 671 . 73 LEU CD1 C 25.9 0.2 1 672 . 73 LEU CD2 C 23.5 0.2 1 673 . 73 LEU C C 174.3 0.2 1 674 . 74 THR N N 112.9 0.1 1 675 . 74 THR H H 8.76 0.02 1 676 . 74 THR CA C 61.0 0.2 1 677 . 74 THR HA H 4.22 0.02 1 678 . 74 THR CB C 70.9 0.2 1 679 . 74 THR HB H 4.03 0.02 1 680 . 74 THR HG2 H 1.02 0.02 1 681 . 74 THR CG2 C 21.6 0.2 1 682 . 74 THR C C 169.7 0.2 1 683 . 75 LEU N N 122.9 0.1 1 684 . 75 LEU H H 8.37 0.02 1 685 . 75 LEU CA C 53.0 0.2 1 686 . 75 LEU HA H 5.07 0.02 1 687 . 75 LEU CB C 45.9 0.2 1 688 . 75 LEU HB2 H 1.79 0.02 1 689 . 75 LEU HB3 H 1.79 0.02 1 690 . 75 LEU HG H 1.32 0.02 1 691 . 75 LEU HD1 H 0.77 0.02 2 692 . 75 LEU HD2 H 0.74 0.02 2 693 . 75 LEU CD2 C 25.5 0.2 1 694 . 75 LEU C C 173.5 0.2 1 695 . 76 VAL N N 117.5 0.1 1 696 . 76 VAL H H 8.84 0.02 1 697 . 76 VAL CA C 57.5 0.2 1 698 . 76 VAL HA H 5.12 0.02 1 699 . 76 VAL CB C 35.4 0.2 1 700 . 76 VAL HB H 1.54 0.02 1 701 . 76 VAL HG1 H 0.62 0.02 1 702 . 76 VAL HG2 H 0.62 0.02 1 703 . 76 VAL CG1 C 21.3 0.2 1 704 . 76 VAL CG2 C 20.3 0.2 1 705 . 76 VAL C C 173.0 0.2 1 706 . 77 LEU N N 121.2 0.1 1 707 . 77 LEU H H 8.98 0.02 1 708 . 77 LEU CA C 55.3 0.2 1 709 . 77 LEU HA H 4.19 0.02 1 710 . 77 LEU CB C 39.6 0.2 1 711 . 77 LEU HB2 H 1.89 0.02 1 712 . 77 LEU HB3 H 1.89 0.02 1 713 . 77 LEU HG H 1.53 0.02 1 714 . 77 LEU HD1 H 0.78 0.02 2 715 . 77 LEU HD2 H 0.76 0.02 2 716 . 77 LEU CD1 C 25.1 0.2 1 717 . 77 LEU CD2 C 23.8 0.2 1 718 . 77 LEU C C 175.5 0.2 1 719 . 78 GLU N N 125.8 0.1 1 720 . 78 GLU H H 8.43 0.02 1 721 . 78 GLU CA C 60.3 0.2 1 722 . 78 GLU HA H 4.17 0.02 1 723 . 78 GLU CB C 28.6 0.2 1 724 . 78 GLU HB2 H 0.76 0.02 1 725 . 78 GLU HB3 H 0.76 0.02 1 726 . 78 GLU HG2 H 1.60 0.02 1 727 . 78 GLU HG3 H 1.60 0.02 1 728 . 78 GLU C C 176.9 0.2 1 729 . 79 GLU N N 116.2 0.1 1 730 . 79 GLU H H 9.10 0.02 1 731 . 79 GLU CA C 59.3 0.2 1 732 . 79 GLU HA H 4.04 0.02 1 733 . 79 GLU CB C 29.5 0.2 1 734 . 79 GLU HB2 H 1.75 0.02 2 735 . 79 GLU HB3 H 1.60 0.02 2 736 . 79 GLU HG2 H 2.12 0.02 2 737 . 79 GLU HG3 H 2.03 0.02 2 738 . 79 GLU C C 175.0 0.2 1 739 . 80 ASP N N 111.2 0.1 1 740 . 80 ASP H H 6.38 0.02 1 741 . 80 ASP CA C 52.8 0.2 1 742 . 80 ASP HA H 4.42 0.02 1 743 . 80 ASP CB C 42.2 0.2 1 744 . 80 ASP HB2 H 2.70 0.02 2 745 . 80 ASP HB3 H 2.20 0.02 2 746 . 80 ASP C C 173.1 0.2 1 747 . 81 GLY N N 109.2 0.1 1 748 . 81 GLY H H 7.36 0.02 1 749 . 81 GLY CA C 44.6 0.2 1 750 . 81 GLY HA2 H 2.33 0.02 1 751 . 81 GLY HA3 H 2.33 0.02 1 752 . 81 GLY C C 171.4 0.2 1 753 . 82 THR N N 117.5 0.1 1 754 . 82 THR H H 7.65 0.02 1 755 . 82 THR CA C 64.4 0.2 1 756 . 82 THR HA H 3.51 0.02 1 757 . 82 THR CB C 68.5 0.2 1 758 . 82 THR HB H 3.84 0.02 1 759 . 82 THR HG2 H 1.09 0.02 1 760 . 82 THR CG2 C 21.0 0.2 1 761 . 82 THR C C 171.9 0.2 1 762 . 83 ALA N N 128.8 0.1 1 763 . 83 ALA H H 8.53 0.02 1 764 . 83 ALA CA C 53.0 0.2 1 765 . 83 ALA HA H 4.16 0.02 1 766 . 83 ALA HB H 1.27 0.02 1 767 . 83 ALA CB C 18.6 0.2 1 768 . 83 ALA C C 174.4 0.2 1 769 . 84 VAL N N 122.9 0.1 1 770 . 84 VAL H H 8.15 0.02 1 771 . 84 VAL CA C 60.1 0.2 1 772 . 84 VAL HA H 3.99 0.02 1 773 . 84 VAL CB C 29.8 0.2 1 774 . 84 VAL HB H 1.85 0.02 1 775 . 84 VAL HG1 H 0.85 0.02 2 776 . 84 VAL HG2 H 0.65 0.02 2 777 . 84 VAL CG1 C 21.8 0.2 1 778 . 84 VAL CG2 C 20.0 0.2 1 779 . 84 VAL C C 173.5 0.2 1 780 . 85 ASP N N 123.7 0.1 1 781 . 85 ASP H H 8.59 0.02 1 782 . 85 ASP CA C 54.6 0.2 1 783 . 85 ASP HA H 4.48 0.02 1 784 . 85 ASP CB C 41.4 0.2 1 785 . 85 ASP HB2 H 2.61 0.02 2 786 . 85 ASP HB3 H 2.52 0.02 2 787 . 85 ASP C C 172.4 0.2 1 788 . 86 SER N N 110.0 0.1 1 789 . 86 SER H H 7.34 0.02 1 790 . 86 SER CA C 55.6 0.2 1 791 . 86 SER HA H 4.81 0.02 1 792 . 86 SER CB C 67.1 0.2 1 793 . 86 SER HB2 H 4.21 0.02 2 794 . 86 SER HB3 H 3.82 0.02 2 795 . 86 SER C C 172.2 0.2 1 796 . 87 GLU N N 123.3 0.1 1 797 . 87 GLU H H 9.09 0.02 1 798 . 87 GLU CA C 57.9 0.2 1 799 . 87 GLU HA H 4.36 0.02 1 800 . 87 GLU CB C 28.5 0.2 1 801 . 87 GLU HB2 H 2.11 0.02 2 802 . 87 GLU HB3 H 1.93 0.02 2 803 . 87 GLU HG2 H 2.40 0.02 2 804 . 87 GLU HG3 H 2.39 0.02 2 805 . 87 GLU C C 176.2 0.2 1 806 . 88 ASP N N 116.6 0.1 1 807 . 88 ASP H H 8.26 0.02 1 808 . 88 ASP CA C 56.7 0.2 1 809 . 88 ASP HA H 4.22 0.02 1 810 . 88 ASP CB C 39.9 0.2 1 811 . 88 ASP HB2 H 2.50 0.02 1 812 . 88 ASP HB3 H 2.50 0.02 1 813 . 88 ASP C C 175.6 0.2 1 814 . 89 PHE N N 118.7 0.1 1 815 . 89 PHE H H 7.79 0.02 1 816 . 89 PHE CA C 59.3 0.2 1 817 . 89 PHE HA H 4.30 0.02 1 818 . 89 PHE CB C 39.9 0.2 1 819 . 89 PHE HB2 H 3.96 0.02 2 820 . 89 PHE HB3 H 3.00 0.02 2 821 . 89 PHE HD1 H 7.09 0.02 1 822 . 89 PHE HD2 H 7.09 0.02 1 823 . 89 PHE HE1 H 6.95 0.02 1 824 . 89 PHE HE2 H 6.95 0.02 1 825 . 89 PHE C C 175.6 0.2 1 826 . 90 PHE N N 118.8 0.1 1 827 . 90 PHE H H 7.74 0.02 1 828 . 90 PHE CA C 60.9 0.2 1 829 . 90 PHE HA H 4.46 0.02 1 830 . 90 PHE CB C 39.8 0.2 1 831 . 90 PHE HB2 H 2.17 0.02 1 832 . 90 PHE HB3 H 2.17 0.02 1 833 . 90 PHE HD1 H 6.74 0.02 1 834 . 90 PHE HD2 H 6.74 0.02 1 835 . 90 PHE HE1 H 6.43 0.02 1 836 . 90 PHE HE2 H 6.43 0.02 1 837 . 90 PHE HZ H 6.30 0.02 1 838 . 90 PHE C C 174.5 0.2 1 839 . 91 GLN N N 113.7 0.1 1 840 . 91 GLN H H 8.04 0.02 1 841 . 91 GLN CA C 56.9 0.2 1 842 . 91 GLN HA H 4.09 0.02 1 843 . 91 GLN CB C 27.9 0.2 1 844 . 91 GLN HB2 H 2.02 0.02 2 845 . 91 GLN HB3 H 1.95 0.02 2 846 . 91 GLN HG2 H 1.81 0.02 2 847 . 91 GLN HG3 H 1.75 0.02 2 848 . 91 GLN C C 174.4 0.2 1 849 . 92 LEU N N 116.7 0.1 1 850 . 92 LEU H H 7.24 0.02 1 851 . 92 LEU CA C 54.5 0.2 1 852 . 92 LEU HA H 4.13 0.02 1 853 . 92 LEU CB C 41.6 0.2 1 854 . 92 LEU HB2 H 1.79 0.02 2 855 . 92 LEU HB3 H 1.70 0.02 2 856 . 92 LEU HG H 1.44 0.02 1 857 . 92 LEU HD1 H 0.71 0.02 2 858 . 92 LEU HD2 H 0.53 0.02 2 859 . 92 LEU CD1 C 25.4 0.2 1 860 . 92 LEU CD2 C 22.6 0.2 1 861 . 92 LEU C C 175.5 0.2 1 862 . 93 LEU N N 118.7 0.1 1 863 . 93 LEU H H 7.09 0.02 1 864 . 93 LEU CA C 54.5 0.2 1 865 . 93 LEU HA H 4.04 0.02 1 866 . 93 LEU CB C 41.5 0.2 1 867 . 93 LEU HB2 H 1.84 0.02 2 868 . 93 LEU HB3 H 1.65 0.02 2 869 . 93 LEU HG H 1.23 0.02 1 870 . 93 LEU HD1 H 0.53 0.02 2 871 . 93 LEU HD2 H 0.62 0.02 2 872 . 93 LEU CD1 C 26.9 0.2 1 873 . 93 LEU CD2 C 22.8 0.2 1 874 . 93 LEU C C 175.5 0.2 1 875 . 94 GLU N N 121.2 0.1 1 876 . 94 GLU H H 8.56 0.02 1 877 . 94 GLU CA C 55.5 0.2 1 878 . 94 GLU HA H 4.10 0.02 1 879 . 94 GLU CB C 29.9 0.2 1 880 . 94 GLU HB2 H 1.75 0.02 1 881 . 94 GLU HB3 H 1.75 0.02 1 882 . 94 GLU HG2 H 2.31 0.02 1 883 . 94 GLU HG3 H 2.31 0.02 1 884 . 94 GLU C C 175.0 0.2 1 885 . 95 ASP N N 124.1 0.1 1 886 . 95 ASP H H 8.78 0.02 1 887 . 95 ASP CA C 55.6 0.2 1 888 . 95 ASP HA H 3.73 0.02 1 889 . 95 ASP CB C 39.6 0.2 1 890 . 95 ASP HB2 H 2.37 0.02 2 891 . 95 ASP HB3 H 2.21 0.02 2 892 . 95 ASP C C 173.9 0.2 1 893 . 96 ASP N N 117.5 0.1 1 894 . 96 ASP H H 8.96 0.02 1 895 . 96 ASP CA C 55.4 0.2 1 896 . 96 ASP HA H 3.98 0.02 1 897 . 96 ASP CB C 39.8 0.2 1 898 . 96 ASP HB2 H 2.80 0.02 2 899 . 96 ASP HB3 H 2.34 0.02 2 900 . 96 ASP C C 173.0 0.2 1 901 . 97 THR N N 115.8 0.1 1 902 . 97 THR H H 7.29 0.02 1 903 . 97 THR CA C 55.0 0.2 1 904 . 97 THR HA H 3.56 0.02 1 905 . 97 THR CB C 69.6 0.2 1 906 . 97 THR HB H 4.03 0.02 1 907 . 97 THR HG2 H 1.27 0.02 1 908 . 97 THR CG2 C 22.6 0.2 1 909 . 97 THR C C 170.4 0.2 1 910 . 98 CYS N N 124.1 0.1 1 911 . 98 CYS H H 8.82 0.02 1 912 . 98 CYS CA C 57.8 0.2 1 913 . 98 CYS HA H 5.07 0.02 1 914 . 98 CYS CB C 27.4 0.2 1 915 . 98 CYS HB2 H 3.20 0.02 2 916 . 98 CYS HB3 H 2.73 0.02 2 917 . 98 CYS C C 171.8 0.2 1 918 . 99 LEU N N 131.5 0.1 1 919 . 99 LEU H H 9.62 0.02 1 920 . 99 LEU CA C 53.6 0.2 1 921 . 99 LEU HA H 4.98 0.02 1 922 . 99 LEU CB C 43.6 0.2 1 923 . 99 LEU HB2 H 1.64 0.02 1 924 . 99 LEU HB3 H 1.64 0.02 1 925 . 99 LEU HG H 1.42 0.02 1 926 . 99 LEU HD1 H 0.66 0.02 2 927 . 99 LEU HD2 H 0.74 0.02 2 928 . 99 LEU CD1 C 26.5 0.2 1 929 . 99 LEU CD2 C 25.8 0.2 1 930 . 99 LEU C C 172.1 0.2 1 931 . 100 MET N N 123.7 0.1 1 932 . 100 MET H H 9.39 0.02 1 933 . 100 MET CA C 53.8 0.2 1 934 . 100 MET HA H 5.09 0.02 1 935 . 100 MET CB C 35.6 0.2 1 936 . 100 MET HB2 H 1.84 0.02 2 937 . 100 MET HB3 H 1.61 0.02 2 938 . 100 MET HE H 2.03 0.02 1 939 . 100 MET CE C 16.0 0.2 1 940 . 100 MET C C 171.1 0.2 1 941 . 101 VAL N N 126.2 0.1 1 942 . 101 VAL H H 8.50 0.02 1 943 . 101 VAL CA C 60.1 0.2 1 944 . 101 VAL HA H 4.58 0.02 1 945 . 101 VAL CB C 31.7 0.2 1 946 . 101 VAL HB H 1.73 0.02 1 947 . 101 VAL HG1 H 0.66 0.02 2 948 . 101 VAL HG2 H 0.63 0.02 2 949 . 101 VAL CG1 C 23.9 0.2 1 950 . 101 VAL CG2 C 20.5 0.2 1 951 . 101 VAL C C 171.8 0.2 1 952 . 102 LEU N N 124.9 0.1 1 953 . 102 LEU H H 8.69 0.02 1 954 . 102 LEU CA C 52.9 0.2 1 955 . 102 LEU HA H 4.61 0.02 1 956 . 102 LEU CB C 43.2 0.2 1 957 . 102 LEU HB2 H 1.72 0.02 1 958 . 102 LEU HB3 H 1.72 0.02 1 959 . 102 LEU HG H 1.33 0.02 1 960 . 102 LEU HD1 H 0.64 0.02 2 961 . 102 LEU HD2 H 0.74 0.02 2 962 . 102 LEU CD1 C 27.4 0.2 1 963 . 102 LEU CD2 C 22.0 0.2 1 964 . 102 LEU C C 174.8 0.2 1 965 . 103 GLN N N 118.7 0.1 1 966 . 103 GLN H H 7.89 0.02 1 967 . 103 GLN CA C 53.9 0.2 1 968 . 103 GLN HA H 4.56 0.02 1 969 . 103 GLN CB C 30.6 0.2 1 970 . 103 GLN HB2 H 1.51 0.02 1 971 . 103 GLN HB3 H 1.51 0.02 1 972 . 103 GLN HG2 H 2.17 0.02 1 973 . 103 GLN HG3 H 2.17 0.02 1 974 . 103 GLN C C 172.7 0.2 1 975 . 104 SER N N 115.8 0.1 1 976 . 104 SER H H 8.59 0.02 1 977 . 104 SER CA C 60.0 0.2 1 978 . 104 SER HA H 4.49 0.02 1 979 . 104 SER CB C 62.9 0.2 1 980 . 104 SER HB2 H 3.17 0.02 1 981 . 104 SER HB3 H 3.17 0.02 1 982 . 104 SER C C 173.6 0.2 1 983 . 105 GLY N N 114.2 0.1 1 984 . 105 GLY H H 8.83 0.02 1 985 . 105 GLY CA C 45.1 0.2 1 986 . 105 GLY HA2 H 4.09 0.02 1 987 . 105 GLY HA3 H 4.09 0.02 1 988 . 105 GLY C C 172.0 0.2 1 989 . 106 GLN N N 118.3 0.1 1 990 . 106 GLN H H 7.66 0.02 1 991 . 106 GLN CA C 53.9 0.2 1 992 . 106 GLN HA H 4.46 0.02 1 993 . 106 GLN CB C 29.6 0.2 1 994 . 106 GLN HB2 H 2.17 0.02 1 995 . 106 GLN HB3 H 2.17 0.02 1 996 . 106 GLN HG2 H 1.77 0.02 1 997 . 106 GLN HG3 H 1.77 0.02 1 998 . 106 GLN HE21 H 6.95 0.02 1 999 . 106 GLN HE22 H 6.95 0.02 1 1000 . 106 GLN C C 172.8 0.2 1 1001 . 107 SER N N 113.8 0.1 1 1002 . 107 SER H H 8.71 0.02 1 1003 . 107 SER CA C 56.9 0.2 1 1004 . 107 SER HA H 4.78 0.02 1 1005 . 107 SER CB C 66.2 0.2 1 1006 . 107 SER HB2 H 3.82 0.02 2 1007 . 107 SER HB3 H 3.70 0.02 2 1008 . 107 SER C C 171.1 0.2 1 1009 . 108 TRP N N 124.1 0.1 1 1010 . 108 TRP H H 9.13 0.02 1 1011 . 108 TRP CA C 59.3 0.2 1 1012 . 108 TRP HA H 4.19 0.02 1 1013 . 108 TRP CB C 28.9 0.2 1 1014 . 108 TRP HB2 H 3.17 0.02 2 1015 . 108 TRP HB3 H 2.99 0.02 2 1016 . 108 TRP NE1 N 130.6 0.1 1 1017 . 108 TRP HD1 H 7.32 0.02 1 1018 . 108 TRP HE1 H 10.14 0.02 1 1019 . 108 TRP HZ2 H 7.17 0.02 1 1020 . 108 TRP C C 172.0 0.2 1 1021 . 109 SER N N 120.8 0.1 1 1022 . 109 SER H H 6.03 0.02 1 1023 . 109 SER CA C 54.8 0.2 1 1024 . 109 SER HA H 4.05 0.02 1 1025 . 109 SER CB C 64.4 0.2 1 1026 . 109 SER HB2 H 3.53 0.02 2 1027 . 109 SER HB3 H 3.40 0.02 2 1028 . 109 SER C C 167.2 0.2 1 1029 . 110 PRO CA C 61.9 0.2 1 1030 . 110 PRO CB C 31.6 0.2 1 1031 . 110 PRO C C 174.5 0.2 1 1032 . 111 THR N N 112.9 0.1 1 1033 . 111 THR H H 8.27 0.02 1 1034 . 111 THR CA C 61.4 0.2 1 1035 . 111 THR HA H 3.93 0.02 1 1036 . 111 THR CB C 69.3 0.2 1 1037 . 111 THR HB H 4.00 0.02 1 1038 . 111 THR HG2 H 1.05 0.02 1 1039 . 111 THR CG2 C 21.3 0.2 1 1040 . 111 THR C C 172.3 0.2 1 1041 . 112 ARG N N 122.0 0.1 1 1042 . 112 ARG H H 8.20 0.02 1 1043 . 112 ARG CA C 55.9 0.2 1 1044 . 112 ARG HA H 4.19 0.02 1 1045 . 112 ARG CB C 30.2 0.2 1 1046 . 112 ARG HB2 H 1.73 0.02 2 1047 . 112 ARG HB3 H 1.62 0.02 2 1048 . 112 ARG HG2 H 1.43 0.02 2 1049 . 112 ARG HG3 H 1.35 0.02 2 1050 . 112 ARG HD2 H 3.08 0.02 1 1051 . 112 ARG HD3 H 3.08 0.02 1 1052 . 112 ARG C C 174.0 0.2 1 1053 . 113 SER N N 116.0 0.1 1 1054 . 113 SER H H 8.08 0.02 1 1055 . 113 SER CA C 57.9 0.2 1 1056 . 113 SER HA H 4.28 0.02 1 1057 . 113 SER CB C 63.9 0.2 1 1058 . 113 SER HB2 H 3.75 0.02 1 1059 . 113 SER HB3 H 3.75 0.02 1 1060 . 113 SER C C 172.4 0.2 1 1061 . 114 GLY N N 110.9 0.1 1 1062 . 114 GLY H H 8.29 0.02 1 1063 . 114 GLY CA C 45.1 0.2 1 1064 . 114 GLY HA2 H 3.87 0.02 1 1065 . 114 GLY HA3 H 3.87 0.02 1 1066 . 114 GLY C C 171.6 0.2 1 1067 . 115 VAL N N 119.0 0.1 1 1068 . 115 VAL H H 7.85 0.02 1 1069 . 115 VAL CA C 61.8 0.2 1 1070 . 115 VAL HA H 3.94 0.02 1 1071 . 115 VAL CB C 32.5 0.2 1 1072 . 115 VAL HB H 1.89 0.02 1 1073 . 115 VAL HG1 H 0.73 0.02 2 1074 . 115 VAL HG2 H 0.76 0.02 2 1075 . 115 VAL CG1 C 20.8 0.2 1 1076 . 115 VAL CG2 C 20.3 0.2 1 1077 . 115 VAL C C 173.6 0.2 1 1078 . 116 LEU N N 125.3 0.1 1 1079 . 116 LEU H H 8.16 0.02 1 1080 . 116 LEU CA C 53.6 0.2 1 1081 . 116 LEU HA H 4.19 0.02 1 1082 . 116 LEU CB C 41.2 0.2 1 1083 . 116 LEU HB2 H 1.44 0.02 1 1084 . 116 LEU HB3 H 1.44 0.02 1 1085 . 116 LEU HG H 1.30 0.02 1 1086 . 116 LEU HD1 H 0.78 0.02 2 1087 . 116 LEU HD2 H 0.70 0.02 2 1088 . 116 LEU CD1 C 24.5 0.2 1 1089 . 116 LEU CD2 C 23.3 0.2 1 1090 . 116 LEU C C 175.0 0.2 1 stop_ save_