data_15142 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of dynein light chain 2A ; _BMRB_accession_number 15142 _BMRB_flat_file_name bmr15142.str _Entry_type original _Submission_date 2007-02-24 _Accession_date 2007-02-24 _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 Kouno T. . . 2 Nabeshima Y. . . 3 Mizuguchi M. . . 4 Kawano K. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 533 "13C chemical shifts" 305 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-15 original author . stop_ _Original_release_date 2009-10-15 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of dynein light chain 2A' _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 Kouno T. . . 2 Nabeshima Y. . . 3 Mizuguchi M. . . 4 Kawano K. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'DL2A homodimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'chain A' $Dynein_light_chain_2A_cytoplasmic 'chain B' $Dynein_light_chain_2A_cytoplasmic stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Dynein_light_chain_2A_cytoplasmic _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Dynein_light_chain_2A,_cytoplasmic _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GPLGSMAEVEETLKRLQSQK GVQGIIVVNTEGIPIKSTMD NPTTTQYASLMHSFILKARS TVRDIDPQNDLTFLRIRSKK NEIMVAPDKDYFLIVIQNPT E ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 MET 7 ALA 8 GLU 9 VAL 10 GLU 11 GLU 12 THR 13 LEU 14 LYS 15 ARG 16 LEU 17 GLN 18 SER 19 GLN 20 LYS 21 GLY 22 VAL 23 GLN 24 GLY 25 ILE 26 ILE 27 VAL 28 VAL 29 ASN 30 THR 31 GLU 32 GLY 33 ILE 34 PRO 35 ILE 36 LYS 37 SER 38 THR 39 MET 40 ASP 41 ASN 42 PRO 43 THR 44 THR 45 THR 46 GLN 47 TYR 48 ALA 49 SER 50 LEU 51 MET 52 HIS 53 SER 54 PHE 55 ILE 56 LEU 57 LYS 58 ALA 59 ARG 60 SER 61 THR 62 VAL 63 ARG 64 ASP 65 ILE 66 ASP 67 PRO 68 GLN 69 ASN 70 ASP 71 LEU 72 THR 73 PHE 74 LEU 75 ARG 76 ILE 77 ARG 78 SER 79 LYS 80 LYS 81 ASN 82 GLU 83 ILE 84 MET 85 VAL 86 ALA 87 PRO 88 ASP 89 LYS 90 ASP 91 TYR 92 PHE 93 LEU 94 ILE 95 VAL 96 ILE 97 GLN 98 ASN 99 PRO 100 THR 101 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 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 1Z09 "Solution Structure Of Km23" 95.05 96 100.00 100.00 2.37e-62 PDB 2B95 "Solution Nmr Structure Of Protein Dynein Light Chain 2a, Cytoplasmic; Northeast Structural Genomics Consortium Target Hr2106" 97.03 106 97.96 97.96 1.02e-62 PDB 2E8J "Solution Structure Of Dynein Light Chain 2a" 100.00 101 100.00 100.00 1.41e-66 PDB 2HZ5 "Crystal Structure Of Human Dynein Light Chain Dnlc2a" 97.03 106 100.00 100.00 3.09e-64 DBJ BAG57523 "unnamed protein product [Homo sapiens]" 83.17 121 98.81 98.81 1.80e-51 GB AAF29126 "HSPC162 [Homo sapiens]" 95.05 96 100.00 100.00 2.37e-62 GB AAF86646 "bithoraxoid-like protein [Homo sapiens]" 95.05 96 100.00 100.00 2.37e-62 GB AAH02481 "Dynein, light chain, roadblock-type 1 [Homo sapiens]" 95.05 96 100.00 100.00 2.37e-62 GB AAK18712 "dynein-associated protein HKM23 [Homo sapiens]" 95.05 96 100.00 100.00 2.37e-62 GB AAK95342 "BITH [Homo sapiens]" 95.05 96 100.00 100.00 2.37e-62 REF NP_001177109 "dynein light chain roadblock-type 1 [Sus scrofa]" 95.05 96 97.92 100.00 3.99e-61 REF NP_001268656 "dynein light chain roadblock-type 1 isoform b [Homo sapiens]" 62.38 63 100.00 100.00 1.26e-37 REF NP_001268657 "dynein light chain roadblock-type 1 isoform b [Homo sapiens]" 62.38 63 100.00 100.00 1.26e-37 REF NP_001268658 "dynein light chain roadblock-type 1 isoform c [Homo sapiens]" 69.31 103 98.57 98.57 6.65e-42 REF NP_054902 "dynein light chain roadblock-type 1 isoform a [Homo sapiens]" 95.05 96 100.00 100.00 2.37e-62 SP Q9NP97 "RecName: Full=Dynein light chain roadblock-type 1; AltName: Full=Bithoraxoid-like protein; Short=BLP; AltName: Full=Dynein ligh" 95.05 96 100.00 100.00 2.37e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Dynein_light_chain_2A_cytoplasmic human . . . 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 $Dynein_light_chain_2A_cytoplasmic 'recombinant technology' . Escherichia coli BL21(DE3) pGEX-6P stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.6mM DL2A U-15, 13C; 20mM phosphate buffer NA; 20mM NaCl; 0.1mM EDTA; 95% H2O, 5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Dynein_light_chain_2A_cytoplasmic 0.6 mM '[U-100% 13C; U-100% 15N]' 'phosphate buffer' 20 mM 'natural abundance' NaCl 0.1 mM 'natural abundance' EDTA 20 mM 'natural abundance' H2O 95 % . D2O 5 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.6mM DL2A U-15, 13C; 20mM phosphate buffer NA; 20mM NaCl; 0.1mM EDTA; 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Dynein_light_chain_2A_cytoplasmic 0.6 mM '[U-100% 13C; U-100% 15N]' 'phosphate buffer' 20 mM 'natural abundance' NaCl 0.1 mM 'natural abundance' EDTA 20 mM 'natural abundance' D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.2 loop_ _Vendor _Address _Electronic_address Delaglio . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version 4.3.2 loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.1f loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_2 save_ save_2D_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 40 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HCCH-COSY' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'chain A' _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 6 MET H H 8.77 0.09 1 2 1 6 MET HA H 4.47 0.09 1 3 1 6 MET HB2 H 2.10 0.09 2 4 1 6 MET HB3 H 2.10 0.09 2 5 1 6 MET HG2 H 2.58 0.09 1 6 1 6 MET HG3 H 2.67 0.09 1 7 1 6 MET CA C 56.35 0.91 1 8 1 6 MET CB C 31.37 0.91 1 9 1 6 MET CG C 32.53 0.91 1 10 1 6 MET N N 122.19 0.65 1 11 2 7 ALA H H 8.22 0.09 1 12 2 7 ALA HA H 4.16 0.09 1 13 2 7 ALA HB H 1.45 0.09 1 14 2 7 ALA CA C 55.16 0.91 1 15 2 7 ALA CB C 18.29 0.91 1 16 2 7 ALA N N 122.75 0.65 1 17 3 8 GLU H H 8.06 0.09 1 18 3 8 GLU HA H 4.20 0.09 1 19 3 8 GLU HB2 H 2.19 0.09 2 20 3 8 GLU HB3 H 2.19 0.09 2 21 3 8 GLU HG2 H 2.33 0.09 2 22 3 8 GLU HG3 H 2.33 0.09 2 23 3 8 GLU CA C 58.91 0.91 1 24 3 8 GLU CB C 29.47 0.91 1 25 3 8 GLU CG C 36.88 0.91 1 26 3 8 GLU N N 118.36 0.65 1 27 4 9 VAL H H 7.93 0.09 1 28 4 9 VAL HA H 3.66 0.09 1 29 4 9 VAL HB H 2.23 0.09 1 30 4 9 VAL HG1 H 0.76 0.09 1 31 4 9 VAL HG2 H 0.72 0.09 1 32 4 9 VAL CA C 66.12 0.91 1 33 4 9 VAL CB C 31.54 0.91 1 34 4 9 VAL CG1 C 23.02 0.91 1 35 4 9 VAL CG2 C 22.05 0.91 1 36 4 9 VAL N N 121.49 0.65 1 37 5 10 GLU H H 8.29 0.09 1 38 5 10 GLU HA H 3.91 0.09 1 39 5 10 GLU HB2 H 2.04 0.09 1 40 5 10 GLU HB3 H 2.11 0.09 1 41 5 10 GLU HG2 H 2.21 0.09 1 42 5 10 GLU HG3 H 2.39 0.09 1 43 5 10 GLU CA C 60.04 0.91 1 44 5 10 GLU CB C 29.22 0.91 1 45 5 10 GLU CG C 36.80 0.91 1 46 5 10 GLU N N 119.16 0.65 1 47 6 11 GLU H H 7.92 0.09 1 48 6 11 GLU HA H 4.08 0.09 1 49 6 11 GLU HB2 H 2.15 0.09 2 50 6 11 GLU HB3 H 2.15 0.09 2 51 6 11 GLU HG2 H 2.37 0.09 2 52 6 11 GLU HG3 H 2.37 0.09 2 53 6 11 GLU CA C 59.23 0.91 1 54 6 11 GLU CB C 29.22 0.91 1 55 6 11 GLU CG C 35.79 0.91 1 56 6 11 GLU N N 119.62 0.65 1 57 7 12 THR H H 8.22 0.09 1 58 7 12 THR HA H 3.89 0.09 1 59 7 12 THR HB H 4.37 0.09 1 60 7 12 THR HG2 H 1.19 0.09 1 61 7 12 THR CA C 66.97 0.91 1 62 7 12 THR CB C 68.29 0.91 1 63 7 12 THR CG2 C 21.90 0.91 1 64 7 12 THR N N 119.44 0.65 1 65 8 13 LEU H H 8.38 0.09 1 66 8 13 LEU HA H 3.81 0.09 1 67 8 13 LEU HB2 H 1.69 0.09 1 68 8 13 LEU HB3 H 1.62 0.09 1 69 8 13 LEU HD1 H 0.72 0.09 1 70 8 13 LEU HD2 H 0.69 0.09 1 71 8 13 LEU HG H 1.67 0.09 1 72 8 13 LEU CA C 59.32 0.91 1 73 8 13 LEU CB C 41.27 0.91 1 74 8 13 LEU CD1 C 25.27 0.91 1 75 8 13 LEU CD2 C 24.15 0.91 1 76 8 13 LEU CG C 27.90 0.91 1 77 8 13 LEU N N 121.88 0.65 1 78 9 14 LYS H H 7.78 0.09 1 79 9 14 LYS HA H 3.86 0.09 1 80 9 14 LYS HB2 H 1.92 0.09 2 81 9 14 LYS HB3 H 1.92 0.09 2 82 9 14 LYS HD2 H 1.70 0.09 2 83 9 14 LYS HD3 H 1.70 0.09 2 84 9 14 LYS HE2 H 2.94 0.09 2 85 9 14 LYS HE3 H 2.94 0.09 2 86 9 14 LYS HG2 H 1.41 0.09 1 87 9 14 LYS HG3 H 1.60 0.09 1 88 9 14 LYS CA C 59.60 0.91 1 89 9 14 LYS CB C 32.41 0.91 1 90 9 14 LYS CD C 29.48 0.91 1 91 9 14 LYS CE C 42.12 0.91 1 92 9 14 LYS CG C 25.22 0.91 1 93 9 14 LYS N N 118.19 0.65 1 94 10 15 ARG H H 7.86 0.09 1 95 10 15 ARG HA H 4.12 0.09 1 96 10 15 ARG HB2 H 1.99 0.09 2 97 10 15 ARG HB3 H 1.99 0.09 2 98 10 15 ARG HD2 H 3.26 0.09 2 99 10 15 ARG HD3 H 3.26 0.09 2 100 10 15 ARG HG2 H 1.58 0.09 1 101 10 15 ARG HG3 H 1.78 0.09 1 102 10 15 ARG CA C 59.21 0.91 1 103 10 15 ARG CB C 30.11 0.91 1 104 10 15 ARG CD C 43.13 0.91 1 105 10 15 ARG CG C 27.31 0.91 1 106 10 15 ARG N N 119.33 0.65 1 107 11 16 LEU H H 8.27 0.09 1 108 11 16 LEU HA H 4.13 0.09 1 109 11 16 LEU HB2 H 1.35 0.09 1 110 11 16 LEU HB3 H 1.92 0.09 1 111 11 16 LEU HD1 H 0.87 0.09 1 112 11 16 LEU HG H 1.88 0.09 1 113 11 16 LEU CA C 57.54 0.91 1 114 11 16 LEU CB C 43.07 0.91 1 115 11 16 LEU CD1 C 26.88 0.91 1 116 11 16 LEU CG C 27.17 0.91 1 117 11 16 LEU N N 120.10 0.65 1 118 12 17 GLN H H 8.25 0.09 1 119 12 17 GLN HA H 4.00 0.09 1 120 12 17 GLN HB2 H 2.12 0.09 1 121 12 17 GLN HB3 H 2.20 0.09 1 122 12 17 GLN HG2 H 2.41 0.09 1 123 12 17 GLN HG3 H 2.49 0.09 1 124 12 17 GLN CA C 58.22 0.91 1 125 12 17 GLN CB C 28.68 0.91 1 126 12 17 GLN CG C 34.68 0.91 1 127 12 17 GLN N N 116.06 0.65 1 128 13 18 SER H H 7.41 0.09 1 129 13 18 SER HA H 4.50 0.09 1 130 13 18 SER HB2 H 3.98 0.09 1 131 13 18 SER HB3 H 4.05 0.09 1 132 13 18 SER CA C 58.60 0.91 1 133 13 18 SER CB C 64.03 0.91 1 134 13 18 SER N N 111.63 0.65 1 135 14 19 GLN H H 7.54 0.09 1 136 14 19 GLN HA H 4.30 0.09 1 137 14 19 GLN HB2 H 2.19 0.09 2 138 14 19 GLN HB3 H 2.19 0.09 2 139 14 19 GLN HG2 H 2.53 0.09 1 140 14 19 GLN HG3 H 2.42 0.09 1 141 14 19 GLN CA C 55.72 0.91 1 142 14 19 GLN CB C 29.10 0.91 1 143 14 19 GLN CG C 34.12 0.91 1 144 14 19 GLN N N 122.71 0.65 1 145 15 20 LYS H H 8.63 0.09 1 146 15 20 LYS HA H 4.15 0.09 1 147 15 20 LYS HB2 H 1.83 0.09 2 148 15 20 LYS HB3 H 1.83 0.09 2 149 15 20 LYS HD2 H 1.72 0.09 1 150 15 20 LYS HD3 H 1.78 0.09 1 151 15 20 LYS HE2 H 3.02 0.09 2 152 15 20 LYS HE3 H 3.02 0.09 2 153 15 20 LYS HG2 H 1.45 0.09 1 154 15 20 LYS HG3 H 1.54 0.09 1 155 15 20 LYS CA C 57.77 0.91 1 156 15 20 LYS CB C 32.35 0.91 1 157 15 20 LYS CD C 29.16 0.91 1 158 15 20 LYS CG C 24.53 0.91 1 159 15 20 LYS N N 125.42 0.65 1 160 16 21 GLY H H 8.89 0.09 1 161 16 21 GLY HA2 H 4.29 0.09 1 162 16 21 GLY HA3 H 3.81 0.09 1 163 16 21 GLY CA C 45.74 0.91 1 164 16 21 GLY N N 112.01 0.65 1 165 17 22 VAL H H 7.59 0.09 1 166 17 22 VAL HA H 3.87 0.09 1 167 17 22 VAL HB H 2.21 0.09 1 168 17 22 VAL HG1 H 0.95 0.09 1 169 17 22 VAL HG2 H 0.85 0.09 1 170 17 22 VAL CA C 64.93 0.91 1 171 17 22 VAL CB C 31.86 0.91 1 172 17 22 VAL CG1 C 22.99 0.91 1 173 17 22 VAL CG2 C 21.92 0.91 1 174 17 22 VAL N N 121.03 0.65 1 175 18 23 GLN H H 9.61 0.09 1 176 18 23 GLN HA H 4.43 0.09 1 177 18 23 GLN HB2 H 2.08 0.09 1 178 18 23 GLN HB3 H 1.64 0.09 1 179 18 23 GLN HG2 H 2.38 0.09 2 180 18 23 GLN HG3 H 2.38 0.09 2 181 18 23 GLN CA C 56.24 0.91 1 182 18 23 GLN CB C 29.82 0.91 1 183 18 23 GLN CG C 33.60 0.91 1 184 18 23 GLN N N 128.31 0.65 1 185 19 24 GLY H H 7.82 0.09 1 186 19 24 GLY HA2 H 4.06 0.09 2 187 19 24 GLY HA3 H 4.06 0.09 2 188 19 24 GLY CA C 45.80 0.91 1 189 19 24 GLY N N 106.23 0.65 1 190 20 25 ILE H H 8.15 0.09 1 191 20 25 ILE HA H 5.14 0.09 1 192 20 25 ILE HB H 1.58 0.09 1 193 20 25 ILE HD1 H 0.87 0.09 1 194 20 25 ILE HG12 H 1.07 0.09 1 195 20 25 ILE HG13 H 1.52 0.09 1 196 20 25 ILE HG2 H 0.83 0.09 1 197 20 25 ILE CA C 60.55 0.91 1 198 20 25 ILE CB C 42.51 0.91 1 199 20 25 ILE CD1 C 16.92 0.91 1 200 20 25 ILE CG1 C 28.23 0.91 1 201 20 25 ILE CG2 C 19.83 0.91 1 202 20 25 ILE N N 119.88 0.65 1 203 21 26 ILE H H 9.28 0.09 1 204 21 26 ILE HA H 4.71 0.09 1 205 21 26 ILE HB H 1.62 0.09 1 206 21 26 ILE HD1 H 0.90 0.09 1 207 21 26 ILE HG12 H 1.28 0.09 1 208 21 26 ILE HG13 H 1.48 0.09 1 209 21 26 ILE HG2 H 0.97 0.09 1 210 21 26 ILE CA C 60.43 0.91 1 211 21 26 ILE CB C 43.09 0.91 1 212 21 26 ILE CD1 C 16.32 0.91 1 213 21 26 ILE CG1 C 26.50 0.91 1 214 21 26 ILE CG2 C 18.78 0.91 1 215 21 26 ILE N N 124.68 0.65 1 216 22 27 VAL H H 8.99 0.09 1 217 22 27 VAL HA H 4.95 0.09 1 218 22 27 VAL HB H 1.85 0.09 1 219 22 27 VAL HG1 H 0.70 0.09 1 220 22 27 VAL HG2 H 0.76 0.09 1 221 22 27 VAL CA C 61.28 0.91 1 222 22 27 VAL CB C 33.13 0.91 1 223 22 27 VAL CG1 C 21.90 0.91 1 224 22 27 VAL CG2 C 21.38 0.91 1 225 22 27 VAL N N 126.39 0.65 1 226 23 28 VAL H H 8.93 0.09 1 227 23 28 VAL HA H 5.03 0.09 1 228 23 28 VAL HB H 1.37 0.09 1 229 23 28 VAL HG1 H 0.85 0.09 1 230 23 28 VAL HG2 H 0.88 0.09 1 231 23 28 VAL CA C 59.06 0.91 1 232 23 28 VAL CB C 34.26 0.91 1 233 23 28 VAL CG1 C 22.46 0.91 1 234 23 28 VAL CG2 C 21.34 0.91 1 235 23 28 VAL N N 124.32 0.65 1 236 24 29 ASN H H 8.46 0.09 1 237 24 29 ASN HA H 5.16 0.09 1 238 24 29 ASN HB2 H 2.88 0.09 1 239 24 29 ASN HB3 H 3.94 0.09 1 240 24 29 ASN CA C 51.61 0.91 1 241 24 29 ASN CB C 38.45 0.91 1 242 24 29 ASN N N 121.54 0.65 1 243 25 30 THR H H 7.80 0.09 1 244 25 30 THR HA H 4.09 0.09 1 245 25 30 THR HB H 4.44 0.09 1 246 25 30 THR HG2 H 1.28 0.09 1 247 25 30 THR CA C 65.32 0.91 1 248 25 30 THR CB C 68.68 0.91 1 249 25 30 THR CG2 C 21.74 0.91 1 250 25 30 THR N N 108.66 0.65 1 251 26 31 GLU H H 7.59 0.09 1 252 26 31 GLU HA H 4.45 0.09 1 253 26 31 GLU HB2 H 1.97 0.09 1 254 26 31 GLU HB3 H 2.25 0.09 1 255 26 31 GLU HG2 H 2.25 0.09 2 256 26 31 GLU HG3 H 2.25 0.09 2 257 26 31 GLU CA C 56.18 0.91 1 258 26 31 GLU CB C 29.90 0.91 1 259 26 31 GLU CG C 37.09 0.91 1 260 26 31 GLU N N 119.03 0.65 1 261 27 32 GLY H H 7.92 0.09 1 262 27 32 GLY HA2 H 2.89 0.09 1 263 27 32 GLY HA3 H 3.45 0.09 1 264 27 32 GLY CA C 44.97 0.91 1 265 27 32 GLY N N 108.06 0.65 1 266 28 33 ILE H H 7.69 0.09 1 267 28 33 ILE HA H 4.32 0.09 1 268 28 33 ILE HB H 1.84 0.09 1 269 28 33 ILE HD1 H 0.77 0.09 1 270 28 33 ILE HG12 H 1.24 0.09 1 271 28 33 ILE HG13 H 1.38 0.09 1 272 28 33 ILE HG2 H 0.84 0.09 1 273 28 33 ILE CA C 57.17 0.91 1 274 28 33 ILE CB C 38.17 0.91 1 275 28 33 ILE CD1 C 11.04 0.91 1 276 28 33 ILE CG1 C 27.35 0.91 1 277 28 33 ILE CG2 C 16.19 0.91 1 278 28 33 ILE N N 122.51 0.65 1 279 29 34 PRO HA H 4.77 0.09 1 280 29 34 PRO HB2 H 1.91 0.09 1 281 29 34 PRO HB3 H 1.69 0.09 1 282 29 34 PRO HD2 H 3.76 0.09 1 283 29 34 PRO HD3 H 3.99 0.09 1 284 29 34 PRO HG2 H 2.26 0.09 2 285 29 34 PRO HG3 H 2.26 0.09 2 286 29 34 PRO CA C 62.52 0.91 1 287 29 34 PRO CB C 31.15 0.91 1 288 29 34 PRO CD C 50.41 0.91 1 289 29 34 PRO CG C 28.05 0.91 1 290 30 35 ILE H H 9.06 0.09 1 291 30 35 ILE HA H 4.26 0.09 1 292 30 35 ILE HB H 1.76 0.09 1 293 30 35 ILE HD1 H 0.77 0.09 1 294 30 35 ILE HG12 H 1.19 0.09 1 295 30 35 ILE HG13 H 1.30 0.09 1 296 30 35 ILE HG2 H 0.96 0.09 1 297 30 35 ILE CA C 61.37 0.91 1 298 30 35 ILE CB C 39.21 0.91 1 299 30 35 ILE CD1 C 12.87 0.91 1 300 30 35 ILE CG1 C 26.84 0.91 1 301 30 35 ILE CG2 C 18.09 0.91 1 302 30 35 ILE N N 123.78 0.65 1 303 31 36 LYS H H 7.51 0.09 1 304 31 36 LYS HA H 4.55 0.09 1 305 31 36 LYS HB2 H 1.56 0.09 2 306 31 36 LYS HB3 H 1.56 0.09 2 307 31 36 LYS HD2 H 1.68 0.09 1 308 31 36 LYS HD3 H 1.74 0.09 1 309 31 36 LYS HE2 H 2.86 0.09 2 310 31 36 LYS HE3 H 2.86 0.09 2 311 31 36 LYS HG2 H 1.29 0.09 2 312 31 36 LYS HG3 H 1.29 0.09 2 313 31 36 LYS CA C 55.15 0.91 1 314 31 36 LYS CB C 36.57 0.91 1 315 31 36 LYS CD C 28.46 0.91 1 316 31 36 LYS CG C 25.25 0.91 1 317 31 36 LYS N N 118.27 0.65 1 318 32 37 SER H H 8.61 0.09 1 319 32 37 SER HA H 5.49 0.09 1 320 32 37 SER HB2 H 3.88 0.09 1 321 32 37 SER HB3 H 3.65 0.09 1 322 32 37 SER CA C 55.85 0.91 1 323 32 37 SER CB C 64.99 0.91 1 324 32 37 SER N N 115.64 0.65 1 325 33 38 THR H H 8.70 0.09 1 326 33 38 THR HA H 4.68 0.09 1 327 33 38 THR HB H 4.69 0.09 1 328 33 38 THR HG2 H 1.24 0.09 1 329 33 38 THR CA C 61.79 0.91 1 330 33 38 THR CB C 68.69 0.91 1 331 33 38 THR CG2 C 21.60 0.91 1 332 33 38 THR N N 115.94 0.65 1 333 34 39 MET H H 8.65 0.09 1 334 34 39 MET HA H 4.80 0.09 1 335 34 39 MET HB2 H 1.80 0.09 1 336 34 39 MET HB3 H 2.24 0.09 1 337 34 39 MET HG2 H 2.35 0.09 2 338 34 39 MET HG3 H 2.35 0.09 2 339 34 39 MET CA C 54.33 0.91 1 340 34 39 MET CB C 35.56 0.91 1 341 34 39 MET CG C 32.81 0.91 1 342 34 39 MET N N 121.93 0.65 1 343 35 40 ASP H H 8.60 0.09 1 344 35 40 ASP HA H 4.52 0.09 1 345 35 40 ASP HB2 H 3.19 0.09 1 346 35 40 ASP HB3 H 2.85 0.09 1 347 35 40 ASP CA C 53.62 0.91 1 348 35 40 ASP CB C 40.82 0.91 1 349 35 40 ASP N N 118.92 0.65 1 350 37 42 PRO HA H 4.35 0.09 1 351 37 42 PRO HB2 H 1.96 0.09 1 352 37 42 PRO HB3 H 2.35 0.09 1 353 37 42 PRO HD2 H 4.00 0.09 1 354 37 42 PRO HD3 H 3.75 0.09 1 355 37 42 PRO HG2 H 2.25 0.09 1 356 37 42 PRO HG3 H 2.05 0.09 1 357 37 42 PRO CA C 66.49 0.91 1 358 37 42 PRO CB C 30.79 0.91 1 359 37 42 PRO CD C 50.07 0.91 1 360 37 42 PRO CG C 28.02 0.91 1 361 38 43 THR H H 8.10 0.09 1 362 38 43 THR HA H 4.02 0.09 1 363 38 43 THR HB H 4.09 0.09 1 364 38 43 THR HG2 H 1.40 0.09 1 365 38 43 THR CA C 67.09 0.91 1 366 38 43 THR CB C 67.99 0.91 1 367 38 43 THR CG2 C 21.85 0.91 1 368 38 43 THR N N 116.14 0.65 1 369 39 44 THR H H 8.42 0.09 1 370 39 44 THR HA H 3.82 0.09 1 371 39 44 THR HB H 4.52 0.09 1 372 39 44 THR HG2 H 1.27 0.09 1 373 39 44 THR CA C 67.95 0.91 1 374 39 44 THR CB C 68.58 0.91 1 375 39 44 THR CG2 C 21.36 0.91 1 376 39 44 THR N N 119.12 0.65 1 377 40 45 THR H H 8.44 0.09 1 378 40 45 THR HA H 3.87 0.09 1 379 40 45 THR HB H 4.25 0.09 1 380 40 45 THR HG2 H 1.28 0.09 1 381 40 45 THR CA C 66.86 0.91 1 382 40 45 THR CB C 68.88 0.91 1 383 40 45 THR N N 116.58 0.65 1 384 41 46 GLN H H 7.77 0.09 1 385 41 46 GLN HA H 4.16 0.09 1 386 41 46 GLN HB2 H 2.15 0.09 2 387 41 46 GLN HB3 H 2.15 0.09 2 388 41 46 GLN HG2 H 2.07 0.09 1 389 41 46 GLN HG3 H 2.36 0.09 1 390 41 46 GLN CA C 59.35 0.91 1 391 41 46 GLN CB C 28.94 0.91 1 392 41 46 GLN CG C 33.65 0.91 1 393 41 46 GLN N N 122.14 0.65 1 394 42 47 TYR H H 8.40 0.09 1 395 42 47 TYR HA H 4.06 0.09 1 396 42 47 TYR HB2 H 3.01 0.09 1 397 42 47 TYR HB3 H 2.62 0.09 1 398 42 47 TYR CA C 63.12 0.91 1 399 42 47 TYR CB C 39.49 0.91 1 400 42 47 TYR N N 116.19 0.65 1 401 43 48 ALA H H 8.96 0.09 1 402 43 48 ALA HA H 3.93 0.09 1 403 43 48 ALA HB H 1.52 0.09 1 404 43 48 ALA CA C 56.64 0.91 1 405 43 48 ALA CB C 18.57 0.91 1 406 43 48 ALA N N 120.06 0.65 1 407 44 49 SER H H 7.92 0.09 1 408 44 49 SER HA H 4.41 0.09 1 409 44 49 SER HB2 H 4.07 0.09 2 410 44 49 SER HB3 H 4.07 0.09 2 411 44 49 SER CA C 61.28 0.91 1 412 44 49 SER CB C 62.90 0.91 1 413 44 49 SER N N 110.90 0.65 1 414 45 50 LEU H H 7.95 0.09 1 415 45 50 LEU HA H 4.28 0.09 1 416 45 50 LEU HB2 H 1.81 0.09 1 417 45 50 LEU HB3 H 1.49 0.09 1 418 45 50 LEU HD1 H 0.92 0.09 1 419 45 50 LEU HD2 H 0.80 0.09 1 420 45 50 LEU HG H 1.79 0.09 1 421 45 50 LEU CA C 57.66 0.91 1 422 45 50 LEU CB C 42.67 0.91 1 423 45 50 LEU CD1 C 23.75 0.91 1 424 45 50 LEU CD2 C 25.77 0.91 1 425 45 50 LEU CG C 27.20 0.91 1 426 45 50 LEU N N 121.50 0.65 1 427 46 51 MET H H 8.87 0.09 1 428 46 51 MET HA H 4.73 0.09 1 429 46 51 MET HB2 H 1.84 0.09 1 430 46 51 MET HB3 H 2.50 0.09 1 431 46 51 MET HG2 H 2.73 0.09 1 432 46 51 MET HG3 H 2.90 0.09 1 433 46 51 MET CA C 55.99 0.91 1 434 46 51 MET CB C 30.90 0.91 1 435 46 51 MET CG C 33.76 0.91 1 436 46 51 MET N N 115.14 0.65 1 437 47 52 HIS H H 8.56 0.09 1 438 47 52 HIS HA H 4.20 0.09 1 439 47 52 HIS HB2 H 3.37 0.09 2 440 47 52 HIS HB3 H 3.37 0.09 2 441 47 52 HIS CA C 61.09 0.91 1 442 47 52 HIS CB C 31.64 0.91 1 443 47 52 HIS N N 121.02 0.65 1 444 48 53 SER H H 7.59 0.09 1 445 48 53 SER HA H 3.99 0.09 1 446 48 53 SER HB2 H 4.08 0.09 2 447 48 53 SER HB3 H 4.08 0.09 2 448 48 53 SER CA C 61.27 0.91 1 449 48 53 SER CB C 62.78 0.91 1 450 48 53 SER N N 110.35 0.65 1 451 49 54 PHE H H 7.81 0.09 1 452 49 54 PHE HA H 4.22 0.09 1 453 49 54 PHE HB2 H 3.41 0.09 1 454 49 54 PHE HB3 H 3.08 0.09 1 455 49 54 PHE CA C 60.79 0.91 1 456 49 54 PHE CB C 39.48 0.91 1 457 49 54 PHE N N 121.31 0.65 1 458 50 55 ILE H H 8.83 0.09 1 459 50 55 ILE HA H 3.30 0.09 1 460 50 55 ILE HB H 1.63 0.09 1 461 50 55 ILE HD1 H 0.37 0.09 1 462 50 55 ILE HG12 H 0.68 0.09 1 463 50 55 ILE HG13 H 1.51 0.09 1 464 50 55 ILE HG2 H 0.29 0.09 1 465 50 55 ILE CA C 65.13 0.91 1 466 50 55 ILE CB C 37.19 0.91 1 467 50 55 ILE CD1 C 13.60 0.91 1 468 50 55 ILE CG1 C 29.94 0.91 1 469 50 55 ILE CG2 C 16.89 0.91 1 470 50 55 ILE N N 120.81 0.65 1 471 51 56 LEU H H 7.65 0.09 1 472 51 56 LEU HA H 3.87 0.09 1 473 51 56 LEU HB2 H 1.43 0.09 1 474 51 56 LEU HB3 H 1.67 0.09 1 475 51 56 LEU HD1 H 0.77 0.09 1 476 51 56 LEU HD2 H 0.61 0.09 1 477 51 56 LEU HG H 1.44 0.09 1 478 51 56 LEU CA C 58.36 0.91 1 479 51 56 LEU CB C 41.09 0.91 1 480 51 56 LEU CD1 C 22.57 0.91 1 481 51 56 LEU CD2 C 24.70 0.91 1 482 51 56 LEU CG C 26.91 0.91 1 483 51 56 LEU N N 119.89 0.65 1 484 52 57 LYS H H 7.58 0.09 1 485 52 57 LYS HA H 4.25 0.09 1 486 52 57 LYS HB2 H 1.98 0.09 2 487 52 57 LYS HB3 H 1.98 0.09 2 488 52 57 LYS HG2 H 1.44 0.09 2 489 52 57 LYS HG3 H 1.44 0.09 2 490 52 57 LYS CA C 57.60 0.91 1 491 52 57 LYS CB C 31.83 0.91 1 492 52 57 LYS CG C 25.21 0.91 1 493 52 57 LYS N N 119.76 0.65 1 494 53 58 ALA H H 8.87 0.09 1 495 53 58 ALA HA H 3.56 0.09 1 496 53 58 ALA HB H 1.23 0.09 1 497 53 58 ALA CA C 55.34 0.91 1 498 53 58 ALA CB C 19.11 0.91 1 499 53 58 ALA N N 125.02 0.65 1 500 54 59 ARG H H 8.58 0.09 1 501 54 59 ARG HA H 3.78 0.09 1 502 54 59 ARG HB2 H 1.83 0.09 1 503 54 59 ARG HB3 H 1.97 0.09 1 504 54 59 ARG HD2 H 3.16 0.09 1 505 54 59 ARG HD3 H 3.22 0.09 1 506 54 59 ARG HG2 H 1.66 0.09 1 507 54 59 ARG HG3 H 1.83 0.09 1 508 54 59 ARG CA C 60.42 0.91 1 509 54 59 ARG CB C 30.39 0.91 1 510 54 59 ARG CD C 43.98 0.91 1 511 54 59 ARG CG C 27.72 0.91 1 512 54 59 ARG N N 117.44 0.65 1 513 55 60 SER H H 8.00 0.09 1 514 55 60 SER HA H 4.11 0.09 1 515 55 60 SER HB2 H 3.92 0.09 1 516 55 60 SER HB3 H 3.98 0.09 1 517 55 60 SER CA C 61.70 0.91 1 518 55 60 SER CB C 62.46 0.91 1 519 55 60 SER N N 113.76 0.65 1 520 56 61 THR H H 7.97 0.09 1 521 56 61 THR HA H 3.88 0.09 1 522 56 61 THR HB H 4.00 0.09 1 523 56 61 THR HG2 H 0.91 0.09 1 524 56 61 THR CA C 67.85 0.91 1 525 56 61 THR CB C 68.67 0.91 1 526 56 61 THR CG2 C 20.62 0.91 1 527 56 61 THR N N 119.19 0.65 1 528 57 62 VAL H H 7.65 0.09 1 529 57 62 VAL HA H 3.45 0.09 1 530 57 62 VAL HB H 2.13 0.09 1 531 57 62 VAL HG1 H 0.91 0.09 1 532 57 62 VAL HG2 H 0.77 0.09 1 533 57 62 VAL CA C 66.76 0.91 1 534 57 62 VAL CB C 31.65 0.91 1 535 57 62 VAL CG1 C 22.09 0.91 1 536 57 62 VAL CG2 C 20.92 0.91 1 537 57 62 VAL N N 117.30 0.65 1 538 58 63 ARG H H 7.66 0.09 1 539 58 63 ARG HA H 4.31 0.09 1 540 58 63 ARG HB2 H 1.83 0.09 2 541 58 63 ARG HB3 H 1.83 0.09 2 542 58 63 ARG HD2 H 3.16 0.09 1 543 58 63 ARG HD3 H 3.22 0.09 1 544 58 63 ARG HG2 H 1.80 0.09 2 545 58 63 ARG HG3 H 1.80 0.09 2 546 58 63 ARG CA C 57.99 0.91 1 547 58 63 ARG CB C 30.30 0.91 1 548 58 63 ARG CG C 27.86 0.91 1 549 58 63 ARG N N 118.91 0.65 1 550 59 64 ASP H H 8.15 0.09 1 551 59 64 ASP HA H 4.37 0.09 1 552 59 64 ASP HB2 H 2.52 0.09 1 553 59 64 ASP HB3 H 2.82 0.09 1 554 59 64 ASP CA C 56.40 0.91 1 555 59 64 ASP CB C 40.76 0.91 1 556 59 64 ASP N N 120.20 0.65 1 557 60 65 ILE H H 7.16 0.09 1 558 60 65 ILE HA H 3.58 0.09 1 559 60 65 ILE HB H 1.58 0.09 1 560 60 65 ILE HD1 H 0.27 0.09 1 561 60 65 ILE HG12 H 1.60 0.09 1 562 60 65 ILE HG13 H 0.46 0.09 1 563 60 65 ILE HG2 H 0.69 0.09 1 564 60 65 ILE CA C 63.97 0.91 1 565 60 65 ILE CB C 38.70 0.91 1 566 60 65 ILE CD1 C 13.04 0.91 1 567 60 65 ILE CG1 C 29.22 0.91 1 568 60 65 ILE CG2 C 17.31 0.91 1 569 60 65 ILE N N 119.03 0.65 1 570 61 66 ASP H H 7.43 0.09 1 571 61 66 ASP HA H 4.91 0.09 1 572 61 66 ASP HB2 H 2.79 0.09 1 573 61 66 ASP HB3 H 2.62 0.09 1 574 61 66 ASP CA C 50.95 0.91 1 575 61 66 ASP CB C 42.94 0.91 1 576 61 66 ASP N N 116.63 0.65 1 577 62 67 PRO HA H 4.65 0.09 1 578 62 67 PRO HB2 H 2.04 0.09 1 579 62 67 PRO HB3 H 2.43 0.09 1 580 62 67 PRO HD2 H 3.94 0.09 1 581 62 67 PRO HD3 H 3.66 0.09 1 582 62 67 PRO HG2 H 2.05 0.09 1 583 62 67 PRO HG3 H 2.14 0.09 1 584 62 67 PRO CA C 64.32 0.91 1 585 62 67 PRO CB C 32.22 0.91 1 586 62 67 PRO CD C 50.85 0.91 1 587 62 67 PRO CG C 26.87 0.91 1 588 63 68 GLN H H 8.17 0.09 1 589 63 68 GLN HA H 4.43 0.09 1 590 63 68 GLN HB2 H 1.93 0.09 1 591 63 68 GLN HB3 H 2.30 0.09 1 592 63 68 GLN HG2 H 2.33 0.09 1 593 63 68 GLN HG3 H 2.40 0.09 1 594 63 68 GLN CA C 55.38 0.91 1 595 63 68 GLN CB C 28.66 0.91 1 596 63 68 GLN CG C 34.49 0.91 1 597 63 68 GLN N N 115.86 0.65 1 598 64 69 ASN H H 8.23 0.09 1 599 64 69 ASN HA H 4.91 0.09 1 600 64 69 ASN HB2 H 2.99 0.09 1 601 64 69 ASN HB3 H 2.67 0.09 1 602 64 69 ASN CA C 50.15 0.91 1 603 64 69 ASN CB C 40.85 0.91 1 604 64 69 ASN N N 120.72 0.65 1 605 65 70 ASP H H 7.83 0.09 1 606 65 70 ASP HA H 4.80 0.09 1 607 65 70 ASP HB2 H 2.47 0.09 1 608 65 70 ASP HB3 H 2.58 0.09 1 609 65 70 ASP CA C 53.16 0.91 1 610 65 70 ASP CB C 44.35 0.91 1 611 65 70 ASP N N 115.50 0.65 1 612 66 71 LEU H H 8.94 0.09 1 613 66 71 LEU HA H 4.15 0.09 1 614 66 71 LEU HB2 H 1.31 0.09 1 615 66 71 LEU HB3 H 1.76 0.09 1 616 66 71 LEU HD1 H 0.90 0.09 1 617 66 71 LEU HD2 H 0.75 0.09 1 618 66 71 LEU HG H 1.50 0.09 1 619 66 71 LEU CA C 55.69 0.91 1 620 66 71 LEU CB C 44.85 0.91 1 621 66 71 LEU CD1 C 25.65 0.91 1 622 66 71 LEU CD2 C 26.31 0.91 1 623 66 71 LEU CG C 27.09 0.91 1 624 66 71 LEU N N 123.29 0.65 1 625 67 72 THR H H 9.56 0.09 1 626 67 72 THR HA H 4.59 0.09 1 627 67 72 THR HB H 4.03 0.09 1 628 67 72 THR HG2 H 1.16 0.09 1 629 67 72 THR CA C 63.00 0.91 1 630 67 72 THR CB C 69.48 0.91 1 631 67 72 THR CG2 C 22.49 0.91 1 632 67 72 THR N N 119.65 0.65 1 633 68 73 PHE H H 8.02 0.09 1 634 68 73 PHE HA H 5.04 0.09 1 635 68 73 PHE HB2 H 3.13 0.09 1 636 68 73 PHE HB3 H 3.41 0.09 1 637 68 73 PHE CA C 59.16 0.91 1 638 68 73 PHE CB C 42.35 0.91 1 639 68 73 PHE N N 117.99 0.65 1 640 69 74 LEU H H 8.65 0.09 1 641 69 74 LEU HA H 5.38 0.09 1 642 69 74 LEU HB2 H 1.63 0.09 1 643 69 74 LEU HB3 H 1.69 0.09 1 644 69 74 LEU HD1 H 0.91 0.09 1 645 69 74 LEU HD2 H 0.88 0.09 1 646 69 74 LEU HG H 1.72 0.09 1 647 69 74 LEU CA C 54.26 0.91 1 648 69 74 LEU CB C 46.95 0.91 1 649 69 74 LEU CD1 C 25.84 0.91 1 650 69 74 LEU CD2 C 26.96 0.91 1 651 69 74 LEU N N 123.26 0.65 1 652 70 75 ARG H H 9.32 0.09 1 653 70 75 ARG HA H 5.56 0.09 1 654 70 75 ARG HB2 H 2.04 0.09 1 655 70 75 ARG HB3 H 1.89 0.09 1 656 70 75 ARG HD2 H 3.22 0.09 1 657 70 75 ARG HD3 H 3.40 0.09 1 658 70 75 ARG HG2 H 1.61 0.09 1 659 70 75 ARG HG3 H 1.80 0.09 1 660 70 75 ARG CA C 55.22 0.91 1 661 70 75 ARG CB C 34.90 0.91 1 662 70 75 ARG CD C 43.82 0.91 1 663 70 75 ARG CG C 28.19 0.91 1 664 70 75 ARG N N 122.78 0.65 1 665 71 76 ILE H H 9.63 0.09 1 666 71 76 ILE HA H 4.65 0.09 1 667 71 76 ILE HB H 1.93 0.09 1 668 71 76 ILE HD1 H 0.68 0.09 1 669 71 76 ILE HG12 H 0.93 0.09 1 670 71 76 ILE HG13 H 1.58 0.09 1 671 71 76 ILE HG2 H 0.79 0.09 1 672 71 76 ILE CA C 60.42 0.91 1 673 71 76 ILE CB C 40.68 0.91 1 674 71 76 ILE CD1 C 14.71 0.91 1 675 71 76 ILE CG1 C 27.61 0.91 1 676 71 76 ILE CG2 C 17.68 0.91 1 677 71 76 ILE N N 125.04 0.65 1 678 72 77 ARG H H 9.30 0.09 1 679 72 77 ARG HA H 4.90 0.09 1 680 72 77 ARG HB2 H 1.54 0.09 2 681 72 77 ARG HB3 H 1.54 0.09 2 682 72 77 ARG HD2 H 3.18 0.09 2 683 72 77 ARG HD3 H 3.18 0.09 2 684 72 77 ARG HG2 H 1.62 0.09 1 685 72 77 ARG HG3 H 1.78 0.09 1 686 72 77 ARG CA C 55.86 0.91 1 687 72 77 ARG CB C 31.98 0.91 1 688 72 77 ARG CD C 43.24 0.91 1 689 72 77 ARG CG C 28.03 0.91 1 690 72 77 ARG N N 129.66 0.65 1 691 73 78 SER H H 9.25 0.09 1 692 73 78 SER HA H 5.48 0.09 1 693 73 78 SER HB2 H 3.69 0.09 1 694 73 78 SER HB3 H 4.42 0.09 1 695 73 78 SER CA C 57.01 0.91 1 696 73 78 SER CB C 66.87 0.91 1 697 73 78 SER N N 124.94 0.65 1 698 74 79 LYS H H 8.26 0.09 1 699 74 79 LYS HA H 4.15 0.09 1 700 74 79 LYS HB2 H 2.05 0.09 1 701 74 79 LYS HB3 H 2.18 0.09 1 702 74 79 LYS HD2 H 1.77 0.09 2 703 74 79 LYS HD3 H 1.77 0.09 2 704 74 79 LYS HE2 H 2.99 0.09 2 705 74 79 LYS HE3 H 2.99 0.09 2 706 74 79 LYS HG2 H 1.48 0.09 1 707 74 79 LYS HG3 H 1.65 0.09 1 708 74 79 LYS CA C 59.48 0.91 1 709 74 79 LYS CB C 32.51 0.91 1 710 74 79 LYS CD C 28.97 0.91 1 711 74 79 LYS CE C 41.93 0.91 1 712 74 79 LYS CG C 25.29 0.91 1 713 74 79 LYS N N 118.56 0.65 1 714 75 80 LYS H H 7.94 0.09 1 715 75 80 LYS HA H 4.38 0.09 1 716 75 80 LYS HB2 H 1.46 0.09 1 717 75 80 LYS HB3 H 1.92 0.09 1 718 75 80 LYS HD2 H 1.53 0.09 2 719 75 80 LYS HD3 H 1.53 0.09 2 720 75 80 LYS HE2 H 2.72 0.09 1 721 75 80 LYS HE3 H 2.88 0.09 1 722 75 80 LYS HG2 H 1.25 0.09 1 723 75 80 LYS HG3 H 1.37 0.09 1 724 75 80 LYS CA C 56.87 0.91 1 725 75 80 LYS CB C 35.37 0.91 1 726 75 80 LYS CD C 29.14 0.91 1 727 75 80 LYS CE C 41.69 0.91 1 728 75 80 LYS CG C 25.50 0.91 1 729 75 80 LYS N N 113.13 0.65 1 730 76 81 ASN H H 7.76 0.09 1 731 76 81 ASN HA H 4.70 0.09 1 732 76 81 ASN HB2 H 3.19 0.09 1 733 76 81 ASN HB3 H 2.72 0.09 1 734 76 81 ASN CA C 52.76 0.91 1 735 76 81 ASN CB C 39.75 0.91 1 736 76 81 ASN N N 113.22 0.65 1 737 77 82 GLU H H 9.09 0.09 1 738 77 82 GLU HA H 5.28 0.09 1 739 77 82 GLU HB2 H 1.92 0.09 1 740 77 82 GLU HB3 H 2.00 0.09 1 741 77 82 GLU HG2 H 2.13 0.09 2 742 77 82 GLU HG3 H 2.13 0.09 2 743 77 82 GLU CA C 55.37 0.91 1 744 77 82 GLU CB C 33.82 0.91 1 745 77 82 GLU CG C 37.43 0.91 1 746 77 82 GLU N N 118.66 0.65 1 747 78 83 ILE H H 9.10 0.09 1 748 78 83 ILE HA H 5.06 0.09 1 749 78 83 ILE HB H 1.70 0.09 1 750 78 83 ILE HD1 H 0.88 0.09 1 751 78 83 ILE HG12 H 0.92 0.09 1 752 78 83 ILE HG13 H 1.64 0.09 1 753 78 83 ILE HG2 H 0.82 0.09 1 754 78 83 ILE CA C 60.00 0.91 1 755 78 83 ILE CB C 41.16 0.91 1 756 78 83 ILE CD1 C 14.15 0.91 1 757 78 83 ILE CG2 C 18.30 0.91 1 758 78 83 ILE N N 124.97 0.65 1 759 79 84 MET H H 9.46 0.09 1 760 79 84 MET HA H 5.35 0.09 1 761 79 84 MET HB2 H 2.05 0.09 1 762 79 84 MET HB3 H 2.14 0.09 1 763 79 84 MET HG2 H 2.48 0.09 1 764 79 84 MET HG3 H 2.52 0.09 1 765 79 84 MET CA C 53.97 0.91 1 766 79 84 MET CB C 35.26 0.91 1 767 79 84 MET CG C 32.49 0.91 1 768 79 84 MET N N 127.64 0.65 1 769 80 85 VAL H H 8.98 0.09 1 770 80 85 VAL HA H 5.38 0.09 1 771 80 85 VAL HB H 2.00 0.09 1 772 80 85 VAL HG1 H 0.93 0.09 1 773 80 85 VAL HG2 H 0.85 0.09 1 774 80 85 VAL CA C 60.26 0.91 1 775 80 85 VAL CB C 34.43 0.91 1 776 80 85 VAL CG1 C 21.50 0.91 1 777 80 85 VAL CG2 C 21.50 0.91 1 778 80 85 VAL N N 123.11 0.65 1 779 81 86 ALA H H 8.97 0.09 1 780 81 86 ALA HA H 5.29 0.09 1 781 81 86 ALA HB H 1.58 0.09 1 782 81 86 ALA CA C 48.43 0.91 1 783 81 86 ALA CB C 21.60 0.91 1 784 81 86 ALA N N 129.12 0.65 1 785 82 87 PRO HA H 4.67 0.09 1 786 82 87 PRO HB2 H 2.03 0.09 2 787 82 87 PRO HB3 H 2.03 0.09 2 788 82 87 PRO HD2 H 3.60 0.09 1 789 82 87 PRO HD3 H 4.08 0.09 1 790 82 87 PRO HG2 H 2.11 0.09 1 791 82 87 PRO HG3 H 1.69 0.09 1 792 82 87 PRO CA C 62.38 0.91 1 793 82 87 PRO CB C 32.73 0.91 1 794 82 87 PRO CD C 50.95 0.91 1 795 82 87 PRO CG C 26.98 0.91 1 796 83 88 ASP H H 8.24 0.09 1 797 83 88 ASP HA H 4.63 0.09 1 798 83 88 ASP HB2 H 2.33 0.09 1 799 83 88 ASP HB3 H 2.44 0.09 1 800 83 88 ASP CA C 53.72 0.91 1 801 83 88 ASP CB C 43.94 0.91 1 802 83 88 ASP N N 124.69 0.65 1 803 84 89 LYS H H 9.08 0.09 1 804 84 89 LYS HA H 3.84 0.09 1 805 84 89 LYS HB2 H 1.77 0.09 1 806 84 89 LYS HB3 H 1.87 0.09 1 807 84 89 LYS HD2 H 1.68 0.09 2 808 84 89 LYS HD3 H 1.68 0.09 2 809 84 89 LYS HE2 H 3.01 0.09 2 810 84 89 LYS HE3 H 3.01 0.09 2 811 84 89 LYS HG2 H 1.38 0.09 1 812 84 89 LYS HG3 H 1.46 0.09 1 813 84 89 LYS CA C 58.98 0.91 1 814 84 89 LYS CB C 30.99 0.91 1 815 84 89 LYS CD C 29.06 0.91 1 816 84 89 LYS CG C 24.38 0.91 1 817 84 89 LYS N N 122.25 0.65 1 818 85 90 ASP H H 8.37 0.09 1 819 85 90 ASP HA H 4.66 0.09 1 820 85 90 ASP HB2 H 2.44 0.09 1 821 85 90 ASP HB3 H 2.61 0.09 1 822 85 90 ASP CA C 54.47 0.91 1 823 85 90 ASP CB C 41.23 0.91 1 824 85 90 ASP N N 118.23 0.65 1 825 86 91 TYR H H 7.44 0.09 1 826 86 91 TYR HA H 5.12 0.09 1 827 86 91 TYR HB2 H 2.81 0.09 1 828 86 91 TYR HB3 H 3.02 0.09 1 829 86 91 TYR CA C 55.41 0.91 1 830 86 91 TYR CB C 40.95 0.91 1 831 86 91 TYR N N 115.19 0.65 1 832 87 92 PHE H H 9.34 0.09 1 833 87 92 PHE HA H 5.11 0.09 1 834 87 92 PHE HB2 H 2.78 0.09 1 835 87 92 PHE HB3 H 2.84 0.09 1 836 87 92 PHE CA C 56.52 0.91 1 837 87 92 PHE CB C 41.61 0.91 1 838 87 92 PHE N N 115.36 0.65 1 839 88 93 LEU H H 8.61 0.09 1 840 88 93 LEU HA H 4.96 0.09 1 841 88 93 LEU HB2 H 1.71 0.09 1 842 88 93 LEU HB3 H 1.85 0.09 1 843 88 93 LEU HD1 H 0.87 0.09 1 844 88 93 LEU HG H 1.64 0.09 1 845 88 93 LEU CA C 54.25 0.91 1 846 88 93 LEU CB C 44.78 0.91 1 847 88 93 LEU CD1 C 25.25 0.91 1 848 88 93 LEU CG C 27.79 0.91 1 849 88 93 LEU N N 124.34 0.65 1 850 89 94 ILE H H 9.35 0.09 1 851 89 94 ILE HA H 4.96 0.09 1 852 89 94 ILE HB H 2.04 0.09 1 853 89 94 ILE HD1 H 0.87 0.09 1 854 89 94 ILE HG12 H 0.92 0.09 1 855 89 94 ILE HG13 H 1.77 0.09 1 856 89 94 ILE HG2 H 0.72 0.09 1 857 89 94 ILE CA C 60.48 0.91 1 858 89 94 ILE CB C 39.52 0.91 1 859 89 94 ILE CD1 C 15.15 0.91 1 860 89 94 ILE CG2 C 17.01 0.91 1 861 89 94 ILE N N 125.22 0.65 1 862 90 95 VAL H H 9.28 0.09 1 863 90 95 VAL HA H 4.68 0.09 1 864 90 95 VAL HB H 2.04 0.09 1 865 90 95 VAL HG1 H 0.97 0.09 1 866 90 95 VAL CA C 61.34 0.91 1 867 90 95 VAL CB C 34.84 0.91 1 868 90 95 VAL CG1 C 22.23 0.91 1 869 90 95 VAL N N 126.70 0.65 1 870 91 96 ILE H H 8.78 0.09 1 871 91 96 ILE HA H 4.75 0.09 1 872 91 96 ILE HB H 1.48 0.09 1 873 91 96 ILE HD1 H 0.18 0.09 1 874 91 96 ILE HG12 H 0.75 0.09 1 875 91 96 ILE HG13 H 1.11 0.09 1 876 91 96 ILE HG2 H 0.74 0.09 1 877 91 96 ILE CA C 61.05 0.91 1 878 91 96 ILE CB C 39.10 0.91 1 879 91 96 ILE CD1 C 14.55 0.91 1 880 91 96 ILE CG1 C 29.01 0.91 1 881 91 96 ILE CG2 C 18.84 0.91 1 882 91 96 ILE N N 127.75 0.65 1 883 92 97 GLN H H 9.57 0.09 1 884 92 97 GLN HA H 5.32 0.09 1 885 92 97 GLN HB2 H 2.10 0.09 1 886 92 97 GLN HB3 H 2.03 0.09 1 887 92 97 GLN HG2 H 2.36 0.09 1 888 92 97 GLN HG3 H 2.24 0.09 1 889 92 97 GLN CA C 53.82 0.91 1 890 92 97 GLN CB C 33.42 0.91 1 891 92 97 GLN CG C 32.79 0.91 1 892 92 97 GLN N N 125.77 0.65 1 893 93 98 ASN H H 8.83 0.09 1 894 93 98 ASN HA H 4.92 0.09 1 895 93 98 ASN HB2 H 2.76 0.09 1 896 93 98 ASN HB3 H 2.97 0.09 1 897 93 98 ASN CA C 51.60 0.91 1 898 93 98 ASN CB C 37.36 0.91 1 899 93 98 ASN N N 120.85 0.65 1 900 94 99 PRO HA H 4.52 0.09 1 901 94 99 PRO HB2 H 2.00 0.09 1 902 94 99 PRO HB3 H 2.13 0.09 1 903 94 99 PRO HD2 H 3.66 0.09 1 904 94 99 PRO HD3 H 3.78 0.09 1 905 94 99 PRO HG2 H 1.78 0.09 1 906 94 99 PRO HG3 H 2.06 0.09 1 907 94 99 PRO CA C 63.42 0.91 1 908 94 99 PRO CB C 31.98 0.91 1 909 94 99 PRO CD C 50.34 0.91 1 910 94 99 PRO CG C 27.59 0.91 1 911 95 100 THR H H 8.38 0.09 1 912 95 100 THR HA H 4.31 0.09 1 913 95 100 THR HB H 4.25 0.09 1 914 95 100 THR HG2 H 1.22 0.09 1 915 95 100 THR CA C 62.13 0.91 1 916 95 100 THR CB C 70.21 0.91 1 917 95 100 THR CG2 C 21.51 0.91 1 918 95 100 THR N N 115.69 0.65 1 919 96 101 GLU H H 7.94 0.09 1 920 96 101 GLU HA H 4.11 0.09 1 921 96 101 GLU HB2 H 1.87 0.09 1 922 96 101 GLU HB3 H 2.05 0.09 1 923 96 101 GLU HG2 H 2.17 0.09 2 924 96 101 GLU HG3 H 2.17 0.09 2 925 96 101 GLU CA C 58.00 0.91 1 926 96 101 GLU CB C 31.23 0.91 1 927 96 101 GLU CG C 36.58 0.91 1 928 96 101 GLU N N 127.27 0.65 1 stop_ save_