data_7151 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for DLC2-SAM ; _BMRB_accession_number 7151 _BMRB_flat_file_name bmr7151.str _Entry_type original _Submission_date 2006-06-06 _Accession_date 2006-06-07 _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 LI HONGYAN . . 2 FUNG KING-LEUNG . . 3 JIN DONG-YAN . . 4 CHUNG 'STEPHEN SM' . . 5 CHING YICK-PANG . . 6 NG 'Irene OI-LIN' . . 7 SZE KONG-HUNG . . 8 KO 'BEN CB' . . 9 SUN HONGZHE . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 444 "13C chemical shifts" 318 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-16 update BMRB 'complete entry citation' 2007-04-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structures, dynamics, and lipid-binding of the sterile alpha-motif domain of the deleted in liver cancer 2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17380510 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 LI HONGYAN . . 2 FUNG KING-LEUNG . . 3 JIN DONG-YAN . . 4 CHUNG 'STEPHEN SM' . . 5 CHING YICK-PANG . . 6 NG 'Irene OI-LIN' . . 7 SZE KONG-HUNG . . 8 KO 'BEN CB' . . 9 SUN HONGZHE . . stop_ _Journal_abbreviation Proteins _Journal_volume 67 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1154 _Page_last 1166 _Year 2007 _Details . loop_ _Keyword DLC2-SAM stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DLC2-SAM monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DLC2-SAM monomer' $DLC2-SAM stop_ _System_molecular_weight 9321 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function membrane-binding stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DLC2-SAM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SAM domain of Deleted in Liver Cancer 2' _Molecular_mass 9321 _Mol_thiol_state 'all free' loop_ _Biological_function membrane-binding stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; MHHHHHHSSGLVPRGSQEIE AKEACDWLRAAGFPQYAQLY EDSQFPINIVAVKNDHDFLE KDLVEPLCRRLNTLNKCASM K ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 HIS 3 3 HIS 4 4 HIS 5 5 HIS 6 6 HIS 7 7 HIS 8 8 SER 9 9 SER 10 10 GLY 11 11 LEU 12 12 VAL 13 13 PRO 14 14 ARG 15 15 GLY 16 16 SER 17 17 GLN 18 18 GLU 19 19 ILE 20 20 GLU 21 21 ALA 22 22 LYS 23 23 GLU 24 24 ALA 25 25 CYS 26 26 ASP 27 27 TRP 28 28 LEU 29 29 ARG 30 30 ALA 31 31 ALA 32 32 GLY 33 33 PHE 34 34 PRO 35 35 GLN 36 36 TYR 37 37 ALA 38 38 GLN 39 39 LEU 40 40 TYR 41 41 GLU 42 42 ASP 43 43 SER 44 44 GLN 45 45 PHE 46 46 PRO 47 47 ILE 48 48 ASN 49 49 ILE 50 50 VAL 51 51 ALA 52 52 VAL 53 53 LYS 54 54 ASN 55 55 ASP 56 56 HIS 57 57 ASP 58 58 PHE 59 59 LEU 60 60 GLU 61 61 LYS 62 62 ASP 63 63 LEU 64 64 VAL 65 65 GLU 66 66 PRO 67 67 LEU 68 68 CYS 69 69 ARG 70 70 ARG 71 71 LEU 72 72 ASN 73 73 THR 74 74 LEU 75 75 ASN 76 76 LYS 77 77 CYS 78 78 ALA 79 79 SER 80 80 MET 81 81 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-12-20 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 2H80 "Nmr Structures Of Sam Domain Of Deleted In Liver Cancer 2 (Dlc2)" 100.00 81 100.00 100.00 1.86e-53 PDB 2JW2 "Validation Of Inter-Helical Orientation Of The Steril-Alpha- Motif Of Human Deleted In Liver Cancer 2 By Residual Dipolar Coupl" 100.00 81 100.00 100.00 1.86e-53 GB AAH46563 "STARD13 protein [Homo sapiens]" 80.25 687 98.46 100.00 2.59e-36 GB AAL91649 "deleted in liver cancer 2 beta [Homo sapiens]" 80.25 1105 98.46 100.00 1.28e-35 GB AIC61070 "STARD13, partial [synthetic construct]" 80.25 687 98.46 100.00 2.59e-36 GB EAX08531 "START domain containing 13, isoform CRA_d [Homo sapiens]" 80.25 1105 98.46 100.00 1.28e-35 GB ELR59815 "StAR-related lipid transfer protein 13, partial [Bos mutus]" 79.01 1067 98.44 98.44 2.60e-34 REF NP_001230395 "stAR-related lipid transfer protein 13 isoform 5 [Homo sapiens]" 80.25 687 98.46 100.00 2.59e-36 REF NP_821075 "stAR-related lipid transfer protein 13 isoform 2 [Homo sapiens]" 80.25 1105 98.46 100.00 1.28e-35 REF XP_003314160 "PREDICTED: stAR-related lipid transfer protein 13 isoform X2 [Pan troglodytes]" 80.25 1105 98.46 100.00 1.42e-35 REF XP_003913797 "PREDICTED: stAR-related lipid transfer protein 13 isoform X2 [Papio anubis]" 80.25 756 98.46 100.00 6.57e-36 REF XP_004054406 "PREDICTED: stAR-related lipid transfer protein 13 isoform 3 [Gorilla gorilla gorilla]" 79.01 1105 100.00 100.00 1.59e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DLC2-SAM 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 _Vendor_name $DLC2-SAM 'recombinant technology' 'E. coli' Escherichia Coli 'BL21 (DE3)' plasmid pEt-32M Novagen 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 $DLC2-SAM 1.3 mM '[U- 13C; U-15N]' 'phosphate buffer' 20 mM . DTT" 4 mM . NaN3 0.05 % . stop_ save_ ############################ # Computer software used # ############################ save_software _Saveframe_category software _Name NMRPipe _Version . _Details 'FID transformations' save_ save_software2 _Saveframe_category software _Name SPARKY _Version . _Details 'spectral analysis' save_ save_software3 _Saveframe_category software _Name CYANA _Version 2.1 _Details 'structure calculation' save_ save_software4 _Saveframe_category software _Name AMBER _Version 7 _Details 'Structure refine and energy minimization' save_ save_software5 _Saveframe_category software _Name ProcheckNMR _Version . _Details 'structure validation' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_(1H-15N)_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H-15N) HSQC' _Sample_label $sample_1 save_ save_3D_(1H-15N)_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (1H-15N) NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCANH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_CBCACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONH' _Sample_label $sample_1 save_ save_3D_1H-13C)_NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C) NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HBHACONH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHACONH' _Sample_label $sample_1 save_ save_2D_(1H-13C)_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H-13C) HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH* 7.13 0.1 pH temperature 293 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 $citation_1 $citation_1 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 $citation_1 $citation_1 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_assigned-chemical-shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'DLC2-SAM monomer' _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 1 1 MET HA H 4.09 . 1 2 1 1 MET HB2 H 1.34 . 1 3 1 1 MET HB3 H 1.34 . 1 4 1 1 MET CA C 55.2 . 1 5 1 1 MET CB C 42.4 . 1 6 2 2 HIS H H 7.63 . 1 7 2 2 HIS C C 175.8 . 1 8 2 2 HIS CA C 58.7 . 1 9 2 2 HIS CB C 34.1 . 1 10 2 2 HIS N N 119.0 . 1 11 9 9 SER HA H 4.22 . 1 12 9 9 SER HB2 H 3.68 . 2 13 9 9 SER HB3 H 3.62 . 2 14 9 9 SER CA C 58.5 . 1 15 9 9 SER CB C 63.6 . 1 16 10 10 GLY H H 8.19 . 1 17 10 10 GLY HA2 H 3.73 . 1 18 10 10 GLY HA3 H 3.73 . 1 19 10 10 GLY C C 174.7 . 1 20 10 10 GLY CA C 45.1 . 1 21 10 10 GLY N N 110.3 . 1 22 11 11 LEU H H 7.85 . 1 23 11 11 LEU HA H 4.12 . 1 24 11 11 LEU HB2 H 1.36 . 2 25 11 11 LEU HB3 H 1.32 . 2 26 11 11 LEU HG H 1.32 . 1 27 11 11 LEU HD1 H 0.67 . 2 28 11 11 LEU HD2 H 0.61 . 2 29 11 11 LEU C C 173.5 . 1 30 11 11 LEU CA C 54.9 . 1 31 11 11 LEU CB C 42.2 . 1 32 11 11 LEU CG C 26.8 . 1 33 11 11 LEU CD1 C 24.6 . 1 34 11 11 LEU CD2 C 23.2 . 1 35 11 11 LEU N N 121.4 . 1 36 12 12 VAL H H 7.91 . 1 37 12 12 VAL HA H 4.16 . 1 38 12 12 VAL HB H 1.82 . 1 39 12 12 VAL HG1 H 0.71 . 2 40 12 12 VAL HG2 H 0.69 . 2 41 12 12 VAL C C 176.8 . 1 42 12 12 VAL CA C 59.7 . 1 43 12 12 VAL CB C 32.4 . 1 44 12 12 VAL CG1 C 20.8 . 1 45 12 12 VAL CG2 C 20.3 . 1 46 12 12 VAL N N 122.6 . 1 47 13 13 PRO HA H 4.17 . 1 48 13 13 PRO HB2 H 2.04 . 2 49 13 13 PRO HB3 H 1.67 . 2 50 13 13 PRO HG2 H 1.73 . 2 51 13 13 PRO HG3 H 1.81 . 2 52 13 13 PRO HD2 H 3.63 . 2 53 13 13 PRO HD3 H 3.44 . 2 54 13 13 PRO CA C 63.0 . 1 55 13 13 PRO CB C 31.9 . 1 56 13 13 PRO CG C 27.3 . 1 57 13 13 PRO CD C 50.9 . 1 58 14 14 ARG H H 8.36 . 1 59 14 14 ARG HA H 4.09 . 1 60 14 14 ARG HB2 H 1.63 . 2 61 14 14 ARG HB3 H 1.57 . 2 62 14 14 ARG HG2 H 1.49 . 2 63 14 14 ARG HG3 H 1.46 . 2 64 14 14 ARG HD2 H 2.98 . 1 65 14 14 ARG HD3 H 2.98 . 1 66 14 14 ARG C C 176.6 . 1 67 14 14 ARG CA C 56.3 . 1 68 14 14 ARG CB C 30.7 . 1 69 14 14 ARG CG C 26.9 . 1 70 14 14 ARG CD C 43.1 . 1 71 14 14 ARG N N 121.9 . 1 72 15 15 GLY H H 8.39 . 1 73 15 15 GLY HA2 H 3.82 . 1 74 15 15 GLY HA3 H 3.82 . 1 75 15 15 GLY C C 176.7 . 1 76 15 15 GLY CA C 45.2 . 1 77 15 15 GLY N N 110.0 . 1 78 16 16 SER H H 8.15 . 1 79 16 16 SER HA H 4.14 . 1 80 16 16 SER HB2 H 3.76 . 2 81 16 16 SER HB3 H 3.70 . 2 82 16 16 SER C C 174.5 . 1 83 16 16 SER CA C 59.7 . 1 84 16 16 SER CB C 63.1 . 1 85 16 16 SER N N 115.8 . 1 86 17 17 GLN H H 8.48 . 1 87 17 17 GLN HA H 4.06 . 1 88 17 17 GLN HB2 H 1.92 . 2 89 17 17 GLN HB3 H 1.99 . 2 90 17 17 GLN HG2 H 2.28 . 2 91 17 17 GLN HG3 H 2.22 . 2 92 17 17 GLN HE21 H 6.67 . 2 93 17 17 GLN HE22 H 7.37 . 2 94 17 17 GLN C C 175.5 . 1 95 17 17 GLN CA C 58.0 . 1 96 17 17 GLN CB C 28.5 . 1 97 17 17 GLN CG C 34.2 . 1 98 17 17 GLN N N 122.3 . 1 99 17 17 GLN NE2 N 112.0 . 1 100 18 18 GLU H H 8.07 . 1 101 18 18 GLU HA H 3.93 . 1 102 18 18 GLU HB2 H 1.88 . 1 103 18 18 GLU HB3 H 1.88 . 1 104 18 18 GLU HG2 H 2.16 . 2 105 18 18 GLU HG3 H 2.12 . 2 106 18 18 GLU C C 176.8 . 1 107 18 18 GLU CA C 58.8 . 1 108 18 18 GLU CB C 29.2 . 1 109 18 18 GLU CG C 36.6 . 1 110 18 18 GLU N N 119.8 . 1 111 19 19 ILE H H 7.67 . 1 112 19 19 ILE HA H 3.61 . 1 113 19 19 ILE HB H 1.71 . 1 114 19 19 ILE HG12 H 1.37 . 2 115 19 19 ILE HG13 H 0.99 . 2 116 19 19 ILE HG2 H 0.70 . 1 117 19 19 ILE HD1 H 0.64 . 1 118 19 19 ILE C C 178.8 . 1 119 19 19 ILE CA C 64.1 . 1 120 19 19 ILE CB C 37.6 . 1 121 19 19 ILE CG1 C 28.5 . 1 122 19 19 ILE CG2 C 17.1 . 1 123 19 19 ILE CD1 C 12.6 . 1 124 19 19 ILE N N 121.0 . 1 125 20 20 GLU H H 7.98 . 1 126 20 20 GLU HA H 3.81 . 1 127 20 20 GLU HB2 H 1.77 . 2 128 20 20 GLU HB3 H 1.65 . 2 129 20 20 GLU HG2 H 1.95 . 2 130 20 20 GLU HG3 H 2.08 . 2 131 20 20 GLU C C 177.8 . 1 132 20 20 GLU CA C 59.4 . 1 133 20 20 GLU CB C 29.3 . 1 134 20 20 GLU CG C 36.6 . 1 135 20 20 GLU N N 120.5 . 1 136 21 21 ALA H H 7.95 . 1 137 21 21 ALA HA H 3.60 . 1 138 21 21 ALA HB H 1.19 . 1 139 21 21 ALA C C 179.5 . 1 140 21 21 ALA CA C 54.5 . 1 141 21 21 ALA CB C 18.1 . 1 142 21 21 ALA N N 122.1 . 1 143 22 22 LYS H H 7.73 . 1 144 22 22 LYS HA H 3.79 . 1 145 22 22 LYS HB2 H 1.76 . 1 146 22 22 LYS HB3 H 1.76 . 1 147 22 22 LYS HG2 H 1.30 . 1 148 22 22 LYS HG3 H 1.30 . 1 149 22 22 LYS HD2 H 1.50 . 1 150 22 22 LYS HD3 H 1.50 . 1 151 22 22 LYS HE2 H 2.83 . 1 152 22 22 LYS HE3 H 2.83 . 1 153 22 22 LYS C C 179.1 . 1 154 22 22 LYS CA C 59.4 . 1 155 22 22 LYS CB C 31.9 . 1 156 22 22 LYS CG C 24.8 . 1 157 22 22 LYS CD C 28.9 . 1 158 22 22 LYS CE C 42.1 . 1 159 22 22 LYS N N 120.5 . 1 160 23 23 GLU H H 7.99 . 1 161 23 23 GLU HA H 3.87 . 1 162 23 23 GLU HB2 H 1.87 . 1 163 23 23 GLU HB3 H 1.87 . 1 164 23 23 GLU HG2 H 2.33 . 2 165 23 23 GLU HG3 H 2.09 . 2 166 23 23 GLU C C 178.2 . 1 167 23 23 GLU CA C 59.6 . 1 168 23 23 GLU CB C 28.9 . 1 169 23 23 GLU CG C 36.5 . 1 170 23 23 GLU N N 118.2 . 1 171 24 24 ALA H H 7.61 . 1 172 24 24 ALA HA H 4.03 . 1 173 24 24 ALA HB H 1.23 . 1 174 24 24 ALA C C 179.4 . 1 175 24 24 ALA CA C 55.1 . 1 176 24 24 ALA CB C 17.3 . 1 177 24 24 ALA N N 121.4 . 1 178 25 25 CYS H H 8.23 . 1 179 25 25 CYS HA H 3.91 . 1 180 25 25 CYS HB2 H 3.05 . 2 181 25 25 CYS HB3 H 2.57 . 2 182 25 25 CYS C C 179.4 . 1 183 25 25 CYS CA C 65.4 . 1 184 25 25 CYS CB C 27.4 . 1 185 25 25 CYS N N 116.8 . 1 186 26 26 ASP H H 8.61 . 1 187 26 26 ASP HA H 4.14 . 1 188 26 26 ASP HB2 H 2.69 . 2 189 26 26 ASP HB3 H 2.45 . 2 190 26 26 ASP C C 176.4 . 1 191 26 26 ASP CA C 57.4 . 1 192 26 26 ASP CB C 39.5 . 1 193 26 26 ASP N N 120.5 . 1 194 27 27 TRP H H 8.24 . 1 195 27 27 TRP HA H 3.80 . 1 196 27 27 TRP HB2 H 3.27 . 2 197 27 27 TRP HB3 H 3.16 . 2 198 27 27 TRP HD1 H 7.06 . 1 199 27 27 TRP HE1 H 9.93 . 1 200 27 27 TRP HE3 H 7.00 . 1 201 27 27 TRP HZ2 H 7.25 . 1 202 27 27 TRP HH2 H 6.83 . 1 203 27 27 TRP C C 179.1 . 1 204 27 27 TRP CA C 62.5 . 1 205 27 27 TRP CB C 29.1 . 1 206 27 27 TRP CD1 C 127.5 . 1 207 27 27 TRP N N 122.8 . 1 208 27 27 TRP NE1 N 130.0 . 1 209 28 28 LEU H H 8.50 . 1 210 28 28 LEU HA H 3.84 . 1 211 28 28 LEU HB2 H 1.71 . 2 212 28 28 LEU HB3 H 2.01 . 2 213 28 28 LEU HG H 2.12 . 1 214 28 28 LEU HD1 H 1.06 . 2 215 28 28 LEU HD2 H 0.66 . 2 216 28 28 LEU C C 177.9 . 1 217 28 28 LEU CA C 58.6 . 1 218 28 28 LEU CB C 41.2 . 1 219 28 28 LEU CG C 27.3 . 1 220 28 28 LEU CD1 C 24.9 . 1 221 28 28 LEU CD2 C 27.1 . 1 222 28 28 LEU N N 118.9 . 1 223 29 29 ARG H H 7.82 . 1 224 29 29 ARG HA H 3.41 . 1 225 29 29 ARG HB2 H 1.64 . 1 226 29 29 ARG HB3 H 1.64 . 1 227 29 29 ARG HG2 H 1.67 . 1 228 29 29 ARG HG3 H 1.67 . 1 229 29 29 ARG HD2 H 3.00 . 1 230 29 29 ARG HD3 H 3.00 . 1 231 29 29 ARG HE H 7.29 . 1 232 29 29 ARG C C 178.9 . 1 233 29 29 ARG CA C 60.9 . 1 234 29 29 ARG CB C 29.8 . 1 235 29 29 ARG CG C 30.3 . 1 236 29 29 ARG CD C 43.1 . 1 237 29 29 ARG N N 116.2 . 1 238 29 29 ARG NE N 85.5 . 1 239 30 30 ALA H H 7.67 . 1 240 30 30 ALA HA H 3.81 . 1 241 30 30 ALA HB H 1.09 . 1 242 30 30 ALA C C 178.6 . 1 243 30 30 ALA CA C 54.3 . 1 244 30 30 ALA CB C 17.8 . 1 245 30 30 ALA N N 122.6 . 1 246 31 31 ALA H H 7.83 . 1 247 31 31 ALA HA H 3.70 . 1 248 31 31 ALA HB H 0.20 . 1 249 31 31 ALA C C 178.6 . 1 250 31 31 ALA CA C 51.7 . 1 251 31 31 ALA CB C 17.8 . 1 252 31 31 ALA N N 118.3 . 1 253 32 32 GLY H H 6.88 . 1 254 32 32 GLY HA2 H 3.32 . 2 255 32 32 GLY HA3 H 3.70 . 2 256 32 32 GLY C C 176.2 . 1 257 32 32 GLY CA C 44.4 . 1 258 32 32 GLY N N 101.7 . 1 259 33 33 PHE H H 8.42 . 1 260 33 33 PHE HA H 5.01 . 1 261 33 33 PHE HB2 H 2.75 . 2 262 33 33 PHE HB3 H 3.28 . 2 263 33 33 PHE HD1 H 6.86 . 1 264 33 33 PHE HD2 H 6.86 . 1 265 33 33 PHE HE1 H 6.98 . 1 266 33 33 PHE HE2 H 6.98 . 1 267 33 33 PHE C C 172.9 . 1 268 33 33 PHE CA C 54.8 . 1 269 33 33 PHE CB C 40.2 . 1 270 33 33 PHE CD1 C 128.2 . 1 271 33 33 PHE CD2 C 122.5 . 1 272 33 33 PHE CE1 C 130.6 . 1 273 33 33 PHE CE2 C 128.6 . 1 274 33 33 PHE N N 118.2 . 1 275 34 34 PRO HA H 3.81 . 1 276 34 34 PRO HB2 H 1.97 . 2 277 34 34 PRO HB3 H 2.05 . 2 278 34 34 PRO HD2 H 3.53 . 2 279 34 34 PRO HD3 H 3.16 . 2 280 34 34 PRO CA C 65.4 . 1 281 34 34 PRO CB C 31.4 . 1 282 34 34 PRO CD C 50.7 . 1 283 35 35 GLN H H 9.90 . 1 284 35 35 GLN HA H 4.05 . 1 285 35 35 GLN HB2 H 1.78 . 2 286 35 35 GLN HB3 H 1.68 . 2 287 35 35 GLN HG2 H 2.10 . 2 288 35 35 GLN HG3 H 1.41 . 2 289 35 35 GLN HE21 H 7.37 . 2 290 35 35 GLN HE22 H 7.29 . 2 291 35 35 GLN C C 177.6 . 1 292 35 35 GLN CA C 58.0 . 1 293 35 35 GLN CB C 26.2 . 1 294 35 35 GLN CG C 31.7 . 1 295 35 35 GLN N N 121.2 . 1 296 35 35 GLN NE2 N 111.9 . 1 297 36 36 TYR H H 7.03 . 1 298 36 36 TYR HA H 4.52 . 1 299 36 36 TYR HB2 H 2.83 . 2 300 36 36 TYR HB3 H 3.08 . 2 301 36 36 TYR HD1 H 6.90 . 1 302 36 36 TYR HD2 H 6.90 . 1 303 36 36 TYR HE1 H 6.60 . 1 304 36 36 TYR HE2 H 6.60 . 1 305 36 36 TYR C C 178.3 . 1 306 36 36 TYR CA C 60.5 . 1 307 36 36 TYR CB C 39.1 . 1 308 36 36 TYR CD1 C 131.1 . 1 309 36 36 TYR CD2 C 123.5 . 1 310 36 36 TYR CE1 C 118.2 . 1 311 36 36 TYR N N 119.0 . 1 312 37 37 ALA H H 6.65 . 1 313 37 37 ALA HA H 4.08 . 1 314 37 37 ALA HB H 1.36 . 1 315 37 37 ALA C C 176.6 . 1 316 37 37 ALA CA C 54.8 . 1 317 37 37 ALA CB C 18.2 . 1 318 37 37 ALA N N 121.2 . 1 319 38 38 GLN H H 7.92 . 1 320 38 38 GLN HA H 3.66 . 1 321 38 38 GLN HB2 H 1.87 . 2 322 38 38 GLN HB3 H 1.96 . 2 323 38 38 GLN HG2 H 2.21 . 2 324 38 38 GLN HG3 H 2.15 . 2 325 38 38 GLN HE21 H 6.66 . 2 326 38 38 GLN HE22 H 7.69 . 2 327 38 38 GLN C C 178.3 . 1 328 38 38 GLN CA C 58.3 . 1 329 38 38 GLN CB C 28.2 . 1 330 38 38 GLN CG C 33.1 . 1 331 38 38 GLN N N 117.3 . 1 332 38 38 GLN NE2 N 115.5 . 1 333 39 39 LEU H H 7.59 . 1 334 39 39 LEU HA H 3.96 . 1 335 39 39 LEU HB2 H 2.09 . 2 336 39 39 LEU HB3 H 1.43 . 2 337 39 39 LEU HG H 1.70 . 1 338 39 39 LEU HD1 H 0.72 . 2 339 39 39 LEU HD2 H 0.74 . 2 340 39 39 LEU C C 177.4 . 1 341 39 39 LEU CA C 58.0 . 1 342 39 39 LEU CB C 43.1 . 1 343 39 39 LEU CG C 27.0 . 1 344 39 39 LEU CD1 C 23.4 . 1 345 39 39 LEU CD2 C 25.3 . 1 346 39 39 LEU N N 117.9 . 1 347 40 40 TYR H H 7.52 . 1 348 40 40 TYR HA H 3.69 . 1 349 40 40 TYR HB2 H 2.70 . 2 350 40 40 TYR HB3 H 1.93 . 2 351 40 40 TYR HD1 H 6.15 . 1 352 40 40 TYR HD2 H 6.15 . 1 353 40 40 TYR HE1 H 6.41 . 1 354 40 40 TYR HE2 H 6.41 . 1 355 40 40 TYR C C 178.6 . 1 356 40 40 TYR CA C 62.1 . 1 357 40 40 TYR CB C 37.4 . 1 358 40 40 TYR CD1 C 132.6 . 1 359 40 40 TYR CE1 C 117.7 . 1 360 40 40 TYR N N 119.3 . 1 361 41 41 GLU H H 8.29 . 1 362 41 41 GLU HA H 3.63 . 1 363 41 41 GLU HB2 H 1.97 . 2 364 41 41 GLU HB3 H 1.86 . 2 365 41 41 GLU HG2 H 2.52 . 2 366 41 41 GLU HG3 H 2.18 . 2 367 41 41 GLU C C 180.0 . 1 368 41 41 GLU CA C 59.0 . 1 369 41 41 GLU CB C 28.8 . 1 370 41 41 GLU CG C 36.9 . 1 371 41 41 GLU N N 123.0 . 1 372 42 42 ASP H H 7.92 . 1 373 42 42 ASP HA H 4.61 . 1 374 42 42 ASP HB2 H 2.50 . 2 375 42 42 ASP HB3 H 2.76 . 2 376 42 42 ASP C C 177.1 . 1 377 42 42 ASP CA C 54.3 . 1 378 42 42 ASP CB C 40.3 . 1 379 42 42 ASP N N 118.5 . 1 380 43 43 SER H H 7.66 . 1 381 43 43 SER HA H 4.18 . 1 382 43 43 SER HB2 H 3.96 . 2 383 43 43 SER HB3 H 3.86 . 2 384 43 43 SER C C 175.4 . 1 385 43 43 SER CA C 59.2 . 1 386 43 43 SER CB C 60.7 . 1 387 43 43 SER N N 111.5 . 1 388 44 44 GLN H H 7.96 . 1 389 44 44 GLN HA H 4.29 . 1 390 44 44 GLN HB2 H 2.21 . 2 391 44 44 GLN HB3 H 1.65 . 2 392 44 44 GLN HG2 H 2.01 . 2 393 44 44 GLN HG3 H 2.20 . 2 394 44 44 GLN HE21 H 7.10 . 2 395 44 44 GLN HE22 H 6.66 . 2 396 44 44 GLN C C 175.1 . 1 397 44 44 GLN CA C 54.4 . 1 398 44 44 GLN CB C 29.1 . 1 399 44 44 GLN CG C 33.3 . 1 400 44 44 GLN CD C 179.8 . 1 401 44 44 GLN N N 114.3 . 1 402 44 44 GLN NE2 N 113.8 . 1 403 45 45 PHE H H 8.01 . 1 404 45 45 PHE HA H 4.12 . 1 405 45 45 PHE HB2 H 3.62 . 2 406 45 45 PHE HB3 H 2.42 . 2 407 45 45 PHE HD1 H 7.17 . 1 408 45 45 PHE HD2 H 7.17 . 1 409 45 45 PHE HE1 H 7.37 . 1 410 45 45 PHE HE2 H 7.37 . 1 411 45 45 PHE C C 175.4 . 1 412 45 45 PHE CA C 57.3 . 1 413 45 45 PHE CB C 39.0 . 1 414 45 45 PHE CE1 C 132.1 . 1 415 45 45 PHE N N 121.9 . 1 416 46 46 PRO HA H 4.67 . 1 417 46 46 PRO HB2 H 1.77 . 2 418 46 46 PRO HB3 H 2.09 . 2 419 46 46 PRO HG2 H 1.65 . 2 420 46 46 PRO HG3 H 1.60 . 2 421 46 46 PRO HD2 H 3.22 . 2 422 46 46 PRO HD3 H 3.40 . 2 423 46 46 PRO CA C 62.0 . 1 424 46 46 PRO CB C 36.2 . 1 425 46 46 PRO CG C 24.5 . 1 426 46 46 PRO CD C 51.5 . 1 427 47 47 ILE H H 8.70 . 1 428 47 47 ILE HA H 4.25 . 1 429 47 47 ILE HB H 0.83 . 1 430 47 47 ILE HG12 H 0.70 . 2 431 47 47 ILE HG13 H 0.26 . 2 432 47 47 ILE HG2 H 0.01 . 1 433 47 47 ILE HD1 H 0.29 . 1 434 47 47 ILE C C 174.6 . 1 435 47 47 ILE CA C 58.8 . 1 436 47 47 ILE CB C 40.9 . 1 437 47 47 ILE CG1 C 26.4 . 1 438 47 47 ILE CG2 C 17.3 . 1 439 47 47 ILE CD1 C 14.8 . 1 440 47 47 ILE N N 118.7 . 1 441 48 48 ASN H H 8.18 . 1 442 48 48 ASN HA H 4.42 . 1 443 48 48 ASN HB2 H 2.77 . 2 444 48 48 ASN HB3 H 2.51 . 2 445 48 48 ASN HD21 H 7.54 . 2 446 48 48 ASN HD22 H 6.79 . 2 447 48 48 ASN C C 174.4 . 1 448 48 48 ASN CA C 52.2 . 1 449 48 48 ASN CB C 37.7 . 1 450 48 48 ASN CG C 176.9 . 1 451 48 48 ASN N N 121.6 . 1 452 48 48 ASN ND2 N 112.0 . 1 453 49 49 ILE H H 8.37 . 1 454 49 49 ILE HA H 3.28 . 1 455 49 49 ILE HB H 1.57 . 1 456 49 49 ILE HG12 H 1.39 . 2 457 49 49 ILE HG13 H 0.74 . 2 458 49 49 ILE HG2 H 0.65 . 1 459 49 49 ILE HD1 H 0.53 . 1 460 49 49 ILE C C 175.4 . 1 461 49 49 ILE CA C 63.9 . 1 462 49 49 ILE CB C 37.6 . 1 463 49 49 ILE CG1 C 28.8 . 1 464 49 49 ILE CG2 C 17.6 . 1 465 49 49 ILE CD1 C 12.9 . 1 466 49 49 ILE N N 127.4 . 1 467 50 50 VAL H H 7.47 . 1 468 50 50 VAL HA H 3.27 . 1 469 50 50 VAL HB H 1.91 . 1 470 50 50 VAL HG1 H 0.78 . 2 471 50 50 VAL HG2 H 0.67 . 2 472 50 50 VAL C C 176.4 . 1 473 50 50 VAL CA C 66.4 . 1 474 50 50 VAL CB C 31.3 . 1 475 50 50 VAL CG1 C 22.4 . 1 476 50 50 VAL CG2 C 20.8 . 1 477 50 50 VAL N N 120.8 . 1 478 51 51 ALA H H 6.93 . 1 479 51 51 ALA HA H 3.87 . 1 480 51 51 ALA HB H 1.20 . 1 481 51 51 ALA C C 177.4 . 1 482 51 51 ALA CA C 54.2 . 1 483 51 51 ALA CB C 18.0 . 1 484 51 51 ALA N N 120.7 . 1 485 52 52 VAL H H 7.12 . 1 486 52 52 VAL HA H 3.55 . 1 487 52 52 VAL HB H 1.84 . 1 488 52 52 VAL HG1 H 0.64 . 2 489 52 52 VAL HG2 H 0.47 . 2 490 52 52 VAL C C 179.5 . 1 491 52 52 VAL CA C 65.8 . 1 492 52 52 VAL CB C 31.4 . 1 493 52 52 VAL CG1 C 21.7 . 1 494 52 52 VAL CG2 C 20.6 . 1 495 52 52 VAL N N 117.7 . 1 496 53 53 LYS H H 7.92 . 1 497 53 53 LYS HA H 3.48 . 1 498 53 53 LYS HB2 H 1.60 . 1 499 53 53 LYS HB3 H 1.60 . 1 500 53 53 LYS HG2 H 1.24 . 2 501 53 53 LYS HG3 H 1.01 . 2 502 53 53 LYS HD2 H 1.40 . 1 503 53 53 LYS HD3 H 1.40 . 1 504 53 53 LYS HE2 H 2.66 . 1 505 53 53 LYS HE3 H 2.66 . 1 506 53 53 LYS C C 178.2 . 1 507 53 53 LYS CA C 59.8 . 1 508 53 53 LYS CB C 32.0 . 1 509 53 53 LYS CG C 25.5 . 1 510 53 53 LYS CD C 29.4 . 1 511 53 53 LYS CE C 41.8 . 1 512 53 53 LYS N N 119.1 . 1 513 54 54 ASN H H 7.71 . 1 514 54 54 ASN HA H 4.31 . 1 515 54 54 ASN HB2 H 2.59 . 2 516 54 54 ASN HB3 H 2.65 . 2 517 54 54 ASN HD21 H 7.44 . 2 518 54 54 ASN HD22 H 6.66 . 2 519 54 54 ASN C C 178.2 . 1 520 54 54 ASN CA C 54.9 . 1 521 54 54 ASN CB C 38.3 . 1 522 54 54 ASN CG C 176.1 . 1 523 54 54 ASN N N 116.5 . 1 524 54 54 ASN ND2 N 112.6 . 1 525 55 55 ASP H H 7.82 . 1 526 55 55 ASP HA H 4.34 . 1 527 55 55 ASP HB2 H 2.51 . 2 528 55 55 ASP HB3 H 2.35 . 2 529 55 55 ASP C C 176.3 . 1 530 55 55 ASP CA C 55.4 . 1 531 55 55 ASP CB C 40.7 . 1 532 55 55 ASP N N 119.5 . 1 533 56 56 HIS H H 7.48 . 1 534 56 56 HIS HA H 4.34 . 1 535 56 56 HIS HB2 H 2.50 . 2 536 56 56 HIS HB3 H 2.95 . 2 537 56 56 HIS HD2 H 6.87 . 1 538 56 56 HIS C C 176.3 . 1 539 56 56 HIS CA C 56.0 . 1 540 56 56 HIS CB C 29.1 . 1 541 56 56 HIS CD2 C 131.7 . 1 542 56 56 HIS N N 118.1 . 1 543 57 57 ASP H H 7.76 . 1 544 57 57 ASP HA H 4.22 . 1 545 57 57 ASP HB2 H 2.48 . 2 546 57 57 ASP HB3 H 2.43 . 2 547 57 57 ASP C C 174.8 . 1 548 57 57 ASP CA C 55.8 . 1 549 57 57 ASP CB C 40.5 . 1 550 57 57 ASP N N 120.6 . 1 551 58 58 PHE H H 7.45 . 1 552 58 58 PHE HA H 4.41 . 1 553 58 58 PHE HB2 H 2.96 . 1 554 58 58 PHE HB3 H 2.96 . 1 555 58 58 PHE HD1 H 7.08 . 1 556 58 58 PHE HD2 H 7.08 . 1 557 58 58 PHE HE1 H 7.25 . 1 558 58 58 PHE HE2 H 7.25 . 1 559 58 58 PHE C C 175.8 . 1 560 58 58 PHE CA C 56.9 . 1 561 58 58 PHE CB C 38.5 . 1 562 58 58 PHE CD1 C 131.2 . 1 563 58 58 PHE CE1 C 131.2 . 1 564 58 58 PHE CE2 C 114.7 . 1 565 58 58 PHE N N 116.1 . 1 566 59 59 LEU H H 7.42 . 1 567 59 59 LEU HA H 4.13 . 1 568 59 59 LEU HB2 H 1.49 . 2 569 59 59 LEU HB3 H 1.37 . 2 570 59 59 LEU HG H 1.37 . 1 571 59 59 LEU HD1 H 0.80 . 2 572 59 59 LEU HD2 H 0.75 . 2 573 59 59 LEU C C 175.6 . 1 574 59 59 LEU CA C 54.8 . 1 575 59 59 LEU CB C 43.1 . 1 576 59 59 LEU CG C 26.6 . 1 577 59 59 LEU CD1 C 25.2 . 1 578 59 59 LEU CD2 C 23.6 . 1 579 59 59 LEU N N 123.3 . 1 580 60 60 GLU H H 8.35 . 1 581 60 60 GLU HA H 4.10 . 1 582 60 60 GLU HB2 H 1.88 . 2 583 60 60 GLU HB3 H 2.04 . 2 584 60 60 GLU HG2 H 2.22 . 1 585 60 60 GLU HG3 H 2.22 . 1 586 60 60 GLU C C 176.8 . 1 587 60 60 GLU CA C 56.5 . 1 588 60 60 GLU CB C 29.6 . 1 589 60 60 GLU CG C 36.4 . 1 590 60 60 GLU N N 121.7 . 1 591 61 61 LYS H H 8.47 . 1 592 61 61 LYS HA H 3.83 . 1 593 61 61 LYS HB2 H 1.71 . 1 594 61 61 LYS HB3 H 1.71 . 1 595 61 61 LYS HG2 H 1.33 . 1 596 61 61 LYS HG3 H 1.33 . 1 597 61 61 LYS HD2 H 1.50 . 1 598 61 61 LYS HD3 H 1.50 . 1 599 61 61 LYS HE2 H 2.83 . 1 600 61 61 LYS HE3 H 2.83 . 1 601 61 61 LYS C C 177.6 . 1 602 61 61 LYS CA C 59.2 . 1 603 61 61 LYS CB C 32.2 . 1 604 61 61 LYS CG C 24.6 . 1 605 61 61 LYS CD C 28.8 . 1 606 61 61 LYS CE C 42.1 . 1 607 61 61 LYS N N 123.5 . 1 608 62 62 ASP H H 8.53 . 1 609 62 62 ASP HA H 4.33 . 1 610 62 62 ASP HB2 H 2.49 . 2 611 62 62 ASP HB3 H 2.56 . 2 612 62 62 ASP C C 177.9 . 1 613 62 62 ASP CA C 55.8 . 1 614 62 62 ASP CB C 39.8 . 1 615 62 62 ASP N N 116.3 . 1 616 63 63 LEU H H 7.76 . 1 617 63 63 LEU HA H 4.50 . 1 618 63 63 LEU HB2 H 1.69 . 2 619 63 63 LEU HB3 H 1.74 . 2 620 63 63 LEU HG H 1.65 . 1 621 63 63 LEU HD1 H 1.00 . 2 622 63 63 LEU HD2 H 0.94 . 2 623 63 63 LEU C C 176.2 . 1 624 63 63 LEU CA C 55.0 . 1 625 63 63 LEU CB C 43.6 . 1 626 63 63 LEU CG C 27.3 . 1 627 63 63 LEU CD1 C 25.2 . 1 628 63 63 LEU CD2 C 23.9 . 1 629 63 63 LEU N N 118.8 . 1 630 64 64 VAL H H 7.42 . 1 631 64 64 VAL HA H 3.27 . 1 632 64 64 VAL HB H 1.82 . 1 633 64 64 VAL HG1 H 0.70 . 2 634 64 64 VAL HG2 H 0.75 . 2 635 64 64 VAL C C 176.9 . 1 636 64 64 VAL CA C 66.4 . 1 637 64 64 VAL CB C 32.2 . 1 638 64 64 VAL CG1 C 21.1 . 1 639 64 64 VAL CG2 C 23.3 . 1 640 64 64 VAL N N 119.2 . 1 641 65 65 GLU H H 8.45 . 1 642 65 65 GLU HA H 3.97 . 1 643 65 65 GLU HB2 H 1.86 . 1 644 65 65 GLU HB3 H 1.86 . 1 645 65 65 GLU HG2 H 1.98 . 2 646 65 65 GLU HG3 H 2.17 . 2 647 65 65 GLU C C 176.6 . 1 648 65 65 GLU CA C 61.1 . 1 649 65 65 GLU CB C 26.0 . 1 650 65 65 GLU CG C 36.2 . 1 651 65 65 GLU N N 119.6 . 1 652 66 66 PRO HA H 3.61 . 1 653 66 66 PRO HB2 H 1.80 . 2 654 66 66 PRO HB3 H 1.43 . 2 655 66 66 PRO HG2 H 2.20 . 2 656 66 66 PRO HG3 H 1.91 . 2 657 66 66 PRO HD2 H 3.42 . 2 658 66 66 PRO HD3 H 3.35 . 2 659 66 66 PRO CA C 65.9 . 1 660 66 66 PRO CB C 30.2 . 1 661 66 66 PRO CG C 27.9 . 1 662 66 66 PRO CD C 49.9 . 1 663 67 67 LEU H H 7.19 . 1 664 67 67 LEU HA H 3.84 . 1 665 67 67 LEU HB2 H 1.83 . 2 666 67 67 LEU HB3 H 1.09 . 2 667 67 67 LEU HG H 0.81 . 1 668 67 67 LEU HD1 H -0.13 . 2 669 67 67 LEU HD2 H 0.01 . 2 670 67 67 LEU C C 177.7 . 1 671 67 67 LEU CA C 58.4 . 1 672 67 67 LEU CB C 41.2 . 1 673 67 67 LEU CG C 26.8 . 1 674 67 67 LEU CD1 C 24.7 . 1 675 67 67 LEU CD2 C 22.7 . 1 676 67 67 LEU N N 119.0 . 1 677 68 68 CYS H H 8.10 . 1 678 68 68 CYS HA H 3.53 . 1 679 68 68 CYS HB2 H 2.82 . 2 680 68 68 CYS HB3 H 2.45 . 2 681 68 68 CYS C C 177.9 . 1 682 68 68 CYS CA C 64.6 . 1 683 68 68 CYS CB C 26.1 . 1 684 68 68 CYS N N 116.7 . 1 685 69 69 ARG H H 7.90 . 1 686 69 69 ARG HA H 3.77 . 1 687 69 69 ARG HB2 H 1.58 . 2 688 69 69 ARG HB3 H 1.43 . 2 689 69 69 ARG HG2 H 1.19 . 2 690 69 69 ARG HG3 H 1.43 . 2 691 69 69 ARG HD2 H 2.84 . 2 692 69 69 ARG HD3 H 2.75 . 2 693 69 69 ARG C C 176.3 . 1 694 69 69 ARG CA C 59.5 . 1 695 69 69 ARG CB C 29.9 . 1 696 69 69 ARG CG C 26.8 . 1 697 69 69 ARG CD C 43.5 . 1 698 69 69 ARG N N 120.1 . 1 699 70 70 ARG H H 7.08 . 1 700 70 70 ARG HA H 3.84 . 1 701 70 70 ARG HB2 H 1.52 . 2 702 70 70 ARG HB3 H 1.65 . 2 703 70 70 ARG HG2 H 1.42 . 2 704 70 70 ARG HG3 H 1.60 . 2 705 70 70 ARG HD2 H 2.35 . 2 706 70 70 ARG HD3 H 1.86 . 2 707 70 70 ARG HE H 6.86 . 1 708 70 70 ARG C C 178.4 . 1 709 70 70 ARG CA C 59.9 . 1 710 70 70 ARG CB C 29.4 . 1 711 70 70 ARG CG C 29.8 . 1 712 70 70 ARG CD C 42.6 . 1 713 70 70 ARG N N 120.1 . 1 714 70 70 ARG NE N 84.7 . 1 715 71 71 LEU H H 7.95 . 1 716 71 71 LEU HA H 3.84 . 1 717 71 71 LEU HB2 H 0.97 . 2 718 71 71 LEU HB3 H 1.58 . 2 719 71 71 LEU HG H 1.64 . 1 720 71 71 LEU HD1 H 0.49 . 2 721 71 71 LEU HD2 H 0.20 . 2 722 71 71 LEU C C 178.5 . 1 723 71 71 LEU CA C 57.9 . 1 724 71 71 LEU CB C 40.8 . 1 725 71 71 LEU CG C 25.6 . 1 726 71 71 LEU CD1 C 22.3 . 1 727 71 71 LEU CD2 C 26.1 . 1 728 71 71 LEU N N 117.3 . 1 729 72 72 ASN H H 8.32 . 1 730 72 72 ASN HA H 4.20 . 1 731 72 72 ASN HB2 H 2.64 . 2 732 72 72 ASN HB3 H 2.57 . 2 733 72 72 ASN HD21 H 7.33 . 2 734 72 72 ASN HD22 H 6.71 . 2 735 72 72 ASN C C 178.1 . 1 736 72 72 ASN CA C 56.8 . 1 737 72 72 ASN CB C 38.5 . 1 738 72 72 ASN N N 118.3 . 1 739 72 72 ASN ND2 N 113.9 . 1 740 73 73 THR H H 7.82 . 1 741 73 73 THR HA H 3.63 . 1 742 73 73 THR HB H 4.06 . 1 743 73 73 THR HG2 H 0.83 . 1 744 73 73 THR C C 178.0 . 1 745 73 73 THR CA C 66.9 . 1 746 73 73 THR CB C 68.4 . 1 747 73 73 THR CG2 C 21.7 . 1 748 73 73 THR N N 119.3 . 1 749 74 74 LEU H H 7.67 . 1 750 74 74 LEU HA H 3.44 . 1 751 74 74 LEU HB2 H 1.54 . 2 752 74 74 LEU HB3 H 0.47 . 2 753 74 74 LEU HG H 1.26 . 1 754 74 74 LEU HD1 H 0.07 . 2 755 74 74 LEU HD2 H -0.41 . 2 756 74 74 LEU C C 175.6 . 1 757 74 74 LEU CA C 57.7 . 1 758 74 74 LEU CB C 40.9 . 1 759 74 74 LEU CG C 25.9 . 1 760 74 74 LEU CD1 C 26.0 . 1 761 74 74 LEU CD2 C 20.4 . 1 762 74 74 LEU N N 121.6 . 1 763 75 75 ASN H H 8.69 . 1 764 75 75 ASN HA H 4.49 . 1 765 75 75 ASN HB2 H 2.73 . 2 766 75 75 ASN HB3 H 3.06 . 2 767 75 75 ASN HD21 H 7.51 . 2 768 75 75 ASN HD22 H 6.94 . 2 769 75 75 ASN C C 178.5 . 1 770 75 75 ASN CA C 56.2 . 1 771 75 75 ASN CB C 36.9 . 1 772 75 75 ASN CG C 174.5 . 1 773 75 75 ASN N N 120.5 . 1 774 75 75 ASN ND2 N 105.1 . 1 775 76 76 LYS H H 7.79 . 1 776 76 76 LYS HA H 3.89 . 1 777 76 76 LYS HB2 H 1.92 . 2 778 76 76 LYS HB3 H 1.79 . 2 779 76 76 LYS HG2 H 1.41 . 2 780 76 76 LYS HG3 H 1.19 . 2 781 76 76 LYS HD2 H 1.48 . 1 782 76 76 LYS HD3 H 1.48 . 1 783 76 76 LYS HE2 H 2.74 . 1 784 76 76 LYS HE3 H 2.74 . 1 785 76 76 LYS C C 178.5 . 1 786 76 76 LYS CA C 59.5 . 1 787 76 76 LYS CB C 31.3 . 1 788 76 76 LYS CG C 24.8 . 1 789 76 76 LYS CD C 29.0 . 1 790 76 76 LYS CE C 41.9 . 1 791 76 76 LYS N N 121.8 . 1 792 77 77 CYS H H 8.24 . 1 793 77 77 CYS HA H 3.93 . 1 794 77 77 CYS HB2 H 2.88 . 1 795 77 77 CYS HB3 H 2.88 . 1 796 77 77 CYS C C 179.6 . 1 797 77 77 CYS CA C 63.6 . 1 798 77 77 CYS CB C 26.8 . 1 799 77 77 CYS N N 118.7 . 1 800 78 78 ALA H H 8.32 . 1 801 78 78 ALA HA H 4.14 . 1 802 78 78 ALA HB H 1.32 . 1 803 78 78 ALA C C 176.6 . 1 804 78 78 ALA CA C 53.6 . 1 805 78 78 ALA CB C 19.3 . 1 806 78 78 ALA N N 120.5 . 1 807 79 79 SER H H 7.53 . 1 808 79 79 SER HA H 4.25 . 1 809 79 79 SER HB2 H 3.80 . 1 810 79 79 SER HB3 H 3.80 . 1 811 79 79 SER C C 178.1 . 1 812 79 79 SER CA C 59.2 . 1 813 79 79 SER CB C 63.9 . 1 814 79 79 SER N N 112.4 . 1 815 80 80 MET H H 7.50 . 1 816 80 80 MET HA H 4.29 . 1 817 80 80 MET HB2 H 1.85 . 2 818 80 80 MET HB3 H 2.00 . 2 819 80 80 MET HG2 H 2.39 . 2 820 80 80 MET HG3 H 2.51 . 2 821 80 80 MET C C 173.9 . 1 822 80 80 MET CA C 55.6 . 1 823 80 80 MET CB C 32.7 . 1 824 80 80 MET CG C 31.9 . 1 825 80 80 MET N N 121.4 . 1 826 81 81 LYS H H 7.49 . 1 827 81 81 LYS HA H 3.94 . 1 828 81 81 LYS HB2 H 1.63 . 2 829 81 81 LYS HB3 H 1.53 . 2 830 81 81 LYS HG2 H 1.21 . 1 831 81 81 LYS HG3 H 1.21 . 1 832 81 81 LYS HD2 H 1.45 . 1 833 81 81 LYS HD3 H 1.45 . 1 834 81 81 LYS HE2 H 2.77 . 1 835 81 81 LYS HE3 H 2.77 . 1 836 81 81 LYS C C 174.7 . 1 837 81 81 LYS CA C 57.8 . 1 838 81 81 LYS CB C 33.5 . 1 839 81 81 LYS CG C 24.6 . 1 840 81 81 LYS CD C 29.0 . 1 841 81 81 LYS CE C 42.1 . 1 842 81 81 LYS N N 126.9 . 1 stop_ save_