data_15078 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Dynein Light Chain LC8 at pH 5.5, complex with IC peptide ; _BMRB_accession_number 15078 _BMRB_flat_file_name bmr15078.str _Entry_type original _Submission_date 2006-12-14 _Accession_date 2006-12-14 _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 Benison Gregory C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 85 "13C chemical shifts" 154 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-10-17 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15076 'LC8 dimer' 15077 'LC8 / Swa complex' stop_ _Original_release_date 2007-10-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and dynamics of LC8 complexes with KXTQT-motif peptides: swallow and dynein intermediate chain compete for a common site' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17570393 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Benison Gregory C. . 2 Karplus P. Andrew . 3 Barbar Elisar J. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 371 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 457 _Page_last 468 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'LC8 / IC complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LC8 $LC8 ic $IC stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LC8 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LC8 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MSDRKAVIKNADMSEEMQQD AVDCATQALEKYNIEKDIAA YIKKEFDKKYNPTWHCIVGR NFGSYVTHETRHFIYFYLGQ VAILLFKSG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ASP 4 ARG 5 LYS 6 ALA 7 VAL 8 ILE 9 LYS 10 ASN 11 ALA 12 ASP 13 MET 14 SER 15 GLU 16 GLU 17 MET 18 GLN 19 GLN 20 ASP 21 ALA 22 VAL 23 ASP 24 CYS 25 ALA 26 THR 27 GLN 28 ALA 29 LEU 30 GLU 31 LYS 32 TYR 33 ASN 34 ILE 35 GLU 36 LYS 37 ASP 38 ILE 39 ALA 40 ALA 41 TYR 42 ILE 43 LYS 44 LYS 45 GLU 46 PHE 47 ASP 48 LYS 49 LYS 50 TYR 51 ASN 52 PRO 53 THR 54 TRP 55 HIS 56 CYS 57 ILE 58 VAL 59 GLY 60 ARG 61 ASN 62 PHE 63 GLY 64 SER 65 TYR 66 VAL 67 THR 68 HIS 69 GLU 70 THR 71 ARG 72 HIS 73 PHE 74 ILE 75 TYR 76 PHE 77 TYR 78 LEU 79 GLY 80 GLN 81 VAL 82 ALA 83 ILE 84 LEU 85 LEU 86 PHE 87 LYS 88 SER 89 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 BMRB 15076 LC8 100.00 89 100.00 100.00 1.51e-59 BMRB 15077 LC8 100.00 89 100.00 100.00 1.51e-59 BMRB 15953 H55K_mutant_of_LC8 100.00 89 98.88 98.88 2.59e-58 BMRB 16847 LC8 100.00 89 100.00 100.00 1.51e-59 BMRB 17692 DLC8 100.00 89 100.00 100.00 1.51e-59 PDB 1RHW "The Solution Structure Of The Ph-Induced Monomer Of Dynein Light Chain Lc8 From Drosophila" 100.00 89 100.00 100.00 1.51e-59 PDB 2P2T "Crystal Structure Of Dynein Light Chain Lc8 Bound To Residues 123-138 Of Intermediate Chain Ic74" 100.00 89 100.00 100.00 1.51e-59 PDB 2PG1 "Structural Analysis Of A Cytoplasmic Dynein Light Chain- Intermediate Chain Complex" 100.00 91 100.00 100.00 1.69e-59 PDB 3BRI "Crystal Structure Of Apo-Lc8" 100.00 89 100.00 100.00 1.51e-59 PDB 3BRL "Crystal Structure Of Lc8 S88e SWA" 100.00 89 98.88 98.88 8.71e-59 PDB 3DVH "Lc8 Point Mutant K36p" 100.00 91 98.88 98.88 9.97e-59 PDB 3DVP "Pak1 Peptide Bound Lc8" 100.00 91 98.88 98.88 9.97e-59 PDB 3DVT "Biochemical And Structural Characterization Of The Pak1- Lc8 Interaction" 100.00 91 100.00 100.00 1.69e-59 PDB 3E2B "Crystal Structure Of Dynein Light Chain Lc8 In Complex With A Peptide Derived From Swallow" 100.00 89 100.00 100.00 1.51e-59 PDB 3FM7 "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" 100.00 89 100.00 100.00 1.51e-59 PDB 3GLW "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" 100.00 89 100.00 100.00 1.51e-59 PDB 4QH7 "Lc8 - Ana2 (159-168) Complex" 100.00 94 100.00 100.00 1.88e-59 PDB 4QH8 "Lc8 - Ana2 (237-246) Complex" 100.00 94 100.00 100.00 1.88e-59 EMBL CDQ62741 "unnamed protein product [Oncorhynchus mykiss]" 100.00 132 97.75 100.00 1.36e-57 EMBL CDQ75050 "unnamed protein product [Oncorhynchus mykiss]" 100.00 89 97.75 100.00 2.30e-58 GB AAB04148 "cytoplasmic dynein light chain 1 [Drosophila melanogaster]" 100.00 89 100.00 100.00 1.51e-59 GB AAD00072 "8kd dynein light chain [Drosophila melanogaster]" 100.00 89 100.00 100.00 1.51e-59 GB AAD00073 "8kd dynein light chain [Drosophila melanogaster]" 100.00 89 98.88 100.00 5.16e-59 GB AAD00074 "8kd dynein light chain [Drosophila melanogaster]" 100.00 89 100.00 100.00 1.51e-59 GB AAF45975 "cut up, isoform A [Drosophila melanogaster]" 100.00 89 100.00 100.00 1.51e-59 REF NP_001135068 "Dynein light chain 1, cytoplasmic [Salmo salar]" 100.00 89 97.75 100.00 2.30e-58 REF NP_001177683 "dynein light chain A [Nasonia vitripennis]" 100.00 89 100.00 100.00 1.51e-59 REF NP_001188181 "dynein light chain 1 cytoplasmic [Ictalurus punctatus]" 100.00 89 97.75 100.00 2.30e-58 REF NP_001245530 "cut up, isoform E [Drosophila melanogaster]" 100.00 89 100.00 100.00 1.51e-59 REF NP_001245836 "cytoplasmic dynein light chain 2, isoform C [Drosophila melanogaster]" 100.00 89 98.88 100.00 5.16e-59 SP O96860 "RecName: Full=Dynein light chain 2, cytoplasmic; AltName: Full=8 kDa dynein light chain" 100.00 89 98.88 100.00 5.16e-59 SP Q24117 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; AltName: Full=Cut up protein" 100.00 89 100.00 100.00 1.51e-59 TPG DAA34424 "TPA_exp: dynein light chain [Amblyomma variegatum]" 95.51 85 97.65 98.82 2.14e-54 stop_ save_ save_IC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IC _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 16 _Mol_residue_sequence KETLVYTKQTQTTSTG loop_ _Residue_seq_code _Residue_label 1 LYS 2 GLU 3 THR 4 LEU 5 VAL 6 TYR 7 THR 8 LYS 9 GLN 10 THR 11 GLN 12 THR 13 THR 14 SER 15 THR 16 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 BMRB 15441 IC74 100.00 75 100.00 100.00 1.63e+00 PDB 2P2T "Crystal Structure Of Dynein Light Chain Lc8 Bound To Residues 123-138 Of Intermediate Chain Ic74" 100.00 16 100.00 100.00 6.68e+00 GB AAC70942 "cytoplasmic dynein intermediate chain isoform DIC5a [Drosophila melanogaster]" 100.00 163 100.00 100.00 3.88e+00 GB AAC78307 "axonemal dynein intermediate chain [Drosophila melanogaster]" 100.00 109 100.00 100.00 2.94e+00 GB EDX18442 "GD15550 [Drosophila simulans]" 100.00 167 100.00 100.00 4.10e+00 REF XP_002107459 "GD15550 [Drosophila simulans]" 100.00 167 100.00 100.00 4.10e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LC8 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $LC8 'recombinant technology' . Escherichia coli . PET-15da 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 $LC8 1 mM '[U-100% 13C; U-100% 15N]' $IC 50 mM . 'potassium phosphate' 50 mM . 'sodium citrate' 50 mM . glycerol 3 % . DSS 1 mM . 'sodium chloride' 100 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 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' 0.3 . M pH 5.5 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $citation_1 $citation_1 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.00 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name LC8 _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 2 2 SER CA C 58.25 0.05 1 2 2 2 SER CB C 64.14 0.05 1 3 3 3 ASP H H 8.52 0.02 1 4 3 3 ASP CA C 54.42 0.05 1 5 3 3 ASP CB C 40.82 0.05 1 6 3 3 ASP N N 122.93 0.05 1 7 4 4 ARG H H 8.31 0.02 1 8 4 4 ARG CA C 55.68 0.05 1 9 4 4 ARG CB C 31.08 0.05 1 10 4 4 ARG N N 121.00 0.05 1 11 5 5 LYS H H 8.25 0.02 1 12 5 5 LYS CA C 56.10 0.05 1 13 5 5 LYS CB C 33.47 0.05 1 14 5 5 LYS N N 122.13 0.05 1 15 6 6 ALA H H 8.63 0.02 1 16 6 6 ALA CA C 51.59 0.05 1 17 6 6 ALA CB C 20.66 0.05 1 18 6 6 ALA N N 127.02 0.05 1 19 7 7 VAL H H 9.05 0.02 1 20 7 7 VAL CA C 61.89 0.05 1 21 7 7 VAL CB C 33.61 0.05 1 22 7 7 VAL N N 123.35 0.05 1 23 8 8 ILE H H 9.22 0.02 1 24 8 8 ILE CA C 61.62 0.05 1 25 8 8 ILE CB C 36.85 0.05 1 26 8 8 ILE N N 128.88 0.05 1 27 9 9 LYS H H 8.32 0.02 1 28 9 9 LYS CA C 56.13 0.05 1 29 9 9 LYS CB C 32.97 0.05 1 30 9 9 LYS N N 128.95 0.05 1 31 10 10 ASN H H 8.29 0.02 1 32 10 10 ASN CA C 53.75 0.05 1 33 10 10 ASN CB C 41.30 0.05 1 34 10 10 ASN N N 116.02 0.05 1 35 11 11 ALA H H 8.87 0.02 1 36 11 11 ALA CA C 51.85 0.05 1 37 11 11 ALA CB C 22.40 0.05 1 38 11 11 ALA N N 125.89 0.05 1 39 12 12 ASP H H 8.93 0.02 1 40 12 12 ASP CA C 53.43 0.05 1 41 12 12 ASP CB C 41.82 0.05 1 42 12 12 ASP N N 122.31 0.05 1 43 13 13 MET H H 8.01 0.02 1 44 13 13 MET CA C 55.79 0.05 1 45 13 13 MET CB C 37.82 0.05 1 46 13 13 MET N N 120.33 0.05 1 47 14 14 SER H H 9.33 0.02 1 48 14 14 SER CA C 58.33 0.05 1 49 14 14 SER CB C 64.29 0.05 1 50 14 14 SER N N 122.61 0.05 1 51 15 15 GLU H H 9.30 0.02 1 52 15 15 GLU CA C 60.68 0.05 1 53 15 15 GLU CB C 29.03 0.05 1 54 15 15 GLU N N 123.37 0.05 1 55 16 16 GLU H H 9.17 0.02 1 56 16 16 GLU CA C 60.01 0.05 1 57 16 16 GLU CB C 28.54 0.05 1 58 16 16 GLU N N 118.88 0.05 1 59 17 17 MET H H 7.62 0.02 1 60 17 17 MET CA C 59.49 0.05 1 61 17 17 MET CB C 32.82 0.05 1 62 17 17 MET N N 121.27 0.05 1 63 18 18 GLN H H 8.43 0.02 1 64 18 18 GLN CA C 59.73 0.05 1 65 18 18 GLN CB C 28.71 0.05 1 66 18 18 GLN N N 119.21 0.05 1 67 19 19 GLN H H 7.81 0.02 1 68 19 19 GLN CA C 58.33 0.05 1 69 19 19 GLN CB C 27.61 0.05 1 70 19 19 GLN N N 116.77 0.05 1 71 20 20 ASP H H 7.74 0.02 1 72 20 20 ASP CA C 57.05 0.05 1 73 20 20 ASP CB C 40.65 0.05 1 74 20 20 ASP N N 119.19 0.05 1 75 21 21 ALA H H 8.63 0.02 1 76 21 21 ALA CA C 56.04 0.05 1 77 21 21 ALA CB C 17.67 0.05 1 78 21 21 ALA N N 123.82 0.05 1 79 22 22 VAL H H 7.76 0.02 1 80 22 22 VAL CA C 66.97 0.05 1 81 22 22 VAL CB C 31.24 0.05 1 82 22 22 VAL N N 117.82 0.05 1 83 23 23 ASP H H 8.94 0.02 1 84 23 23 ASP CA C 57.88 0.05 1 85 23 23 ASP CB C 40.24 0.05 1 86 23 23 ASP N N 124.13 0.05 1 87 24 24 CYS H H 9.06 0.02 1 88 24 24 CYS CA C 63.55 0.05 1 89 24 24 CYS CB C 27.44 0.05 1 90 24 24 CYS N N 120.63 0.05 1 91 25 25 ALA H H 8.55 0.02 1 92 25 25 ALA CA C 55.16 0.05 1 93 25 25 ALA CB C 19.72 0.05 1 94 25 25 ALA N N 120.81 0.05 1 95 26 26 THR H H 8.51 0.02 1 96 26 26 THR CA C 67.95 0.05 1 97 26 26 THR CB C 68.52 0.05 1 98 26 26 THR N N 115.06 0.05 1 99 27 27 GLN H H 7.92 0.02 1 100 27 27 GLN CA C 58.60 0.05 1 101 27 27 GLN CB C 28.54 0.05 1 102 27 27 GLN N N 120.40 0.05 1 103 28 28 ALA H H 8.39 0.02 1 104 28 28 ALA CA C 55.30 0.05 1 105 28 28 ALA CB C 20.19 0.05 1 106 28 28 ALA N N 122.15 0.05 1 107 29 29 LEU H H 8.19 0.02 1 108 29 29 LEU CA C 57.13 0.05 1 109 29 29 LEU CB C 41.97 0.05 1 110 29 29 LEU N N 116.66 0.05 1 111 30 30 GLU H H 7.31 0.02 1 112 30 30 GLU CA C 57.76 0.05 1 113 30 30 GLU CB C 29.50 0.05 1 114 30 30 GLU N N 116.46 0.05 1 115 31 31 LYS H H 7.18 0.02 1 116 31 31 LYS CA C 57.62 0.05 1 117 31 31 LYS CB C 35.03 0.05 1 118 31 31 LYS N N 117.50 0.05 1 119 32 32 TYR H H 8.25 0.02 1 120 32 32 TYR CA C 57.00 0.05 1 121 32 32 TYR CB C 42.22 0.05 1 122 32 32 TYR N N 117.31 0.05 1 123 33 33 ASN H H 8.38 0.02 1 124 33 33 ASN CA C 52.90 0.05 1 125 33 33 ASN CB C 40.61 0.05 1 126 33 33 ASN N N 113.98 0.05 1 127 34 34 ILE H H 8.12 0.02 1 128 34 34 ILE CA C 60.04 0.05 1 129 34 34 ILE N N 121.89 0.05 1 130 35 35 GLU H H 9.62 0.02 1 131 35 35 GLU CA C 62.06 0.05 1 132 35 35 GLU N N 129.82 0.05 1 133 36 36 LYS H H 8.97 0.02 1 134 36 36 LYS CA C 59.42 0.05 1 135 36 36 LYS N N 115.12 0.05 1 136 37 37 ASP H H 7.23 0.02 1 137 37 37 ASP CA C 56.60 0.05 1 138 37 37 ASP N N 123.95 0.05 1 139 38 38 ILE H H 7.39 0.02 1 140 38 38 ILE CA C 65.60 0.05 1 141 38 38 ILE N N 123.62 0.05 1 142 39 39 ALA H H 8.29 0.02 1 143 39 39 ALA CA C 54.76 0.05 1 144 39 39 ALA N N 118.95 0.05 1 145 41 41 TYR H H 7.36 0.02 1 146 41 41 TYR CA C 62.06 0.05 1 147 41 41 TYR CB C 38.50 0.05 1 148 41 41 TYR N N 117.60 0.05 1 149 42 42 ILE H H 7.63 0.02 1 150 42 42 ILE CA C 65.16 0.05 1 151 42 42 ILE N N 116.84 0.05 1 152 43 43 LYS H H 8.13 0.02 1 153 43 43 LYS CA C 61.28 0.05 1 154 43 43 LYS CB C 35.34 0.05 1 155 43 43 LYS N N 118.54 0.05 1 156 44 44 LYS H H 8.46 0.02 1 157 44 44 LYS CA C 60.58 0.05 1 158 44 44 LYS CB C 32.34 0.05 1 159 44 44 LYS N N 117.30 0.05 1 160 45 45 GLU H H 7.70 0.02 1 161 45 45 GLU CA C 58.86 0.05 1 162 45 45 GLU CB C 29.20 0.05 1 163 45 45 GLU N N 119.05 0.05 1 164 46 46 PHE H H 8.38 0.02 1 165 46 46 PHE CA C 63.71 0.05 1 166 46 46 PHE CB C 36.13 0.05 1 167 46 46 PHE N N 123.01 0.05 1 168 47 47 ASP H H 8.68 0.02 1 169 47 47 ASP CA C 57.26 0.05 1 170 47 47 ASP CB C 40.25 0.05 1 171 47 47 ASP N N 119.95 0.05 1 172 48 48 LYS H H 7.24 0.02 1 173 48 48 LYS CA C 59.14 0.05 1 174 48 48 LYS CB C 32.63 0.05 1 175 48 48 LYS N N 117.27 0.05 1 176 49 49 LYS H H 7.99 0.02 1 177 49 49 LYS CA C 58.94 0.05 1 178 49 49 LYS CB C 33.74 0.05 1 179 49 49 LYS N N 117.52 0.05 1 180 50 50 TYR H H 8.41 0.02 1 181 50 50 TYR CA C 57.92 0.05 1 182 50 50 TYR CB C 39.64 0.05 1 183 50 50 TYR N N 115.39 0.05 1 184 51 51 ASN H H 6.92 0.02 1 185 51 51 ASN CA C 55.31 0.05 1 186 51 51 ASN N N 112.77 0.05 1 187 52 52 PRO CA C 68.03 0.05 1 188 52 52 PRO CB C 32.34 0.05 1 189 53 53 THR H H 7.91 0.02 1 190 53 53 THR CA C 65.10 0.05 1 191 53 53 THR CB C 69.33 0.05 1 192 53 53 THR N N 119.90 0.05 1 193 54 54 TRP H H 9.44 0.02 1 194 54 54 TRP CA C 55.64 0.05 1 195 54 54 TRP CB C 29.38 0.05 1 196 54 54 TRP N N 127.29 0.05 1 197 55 55 HIS H H 8.49 0.02 1 198 55 55 HIS CA C 54.77 0.05 1 199 55 55 HIS CB C 34.52 0.05 1 200 55 55 HIS N N 119.01 0.05 1 201 56 56 CYS H H 8.45 0.02 1 202 56 56 CYS CA C 56.64 0.05 1 203 56 56 CYS CB C 30.74 0.05 1 204 56 56 CYS N N 120.67 0.05 1 205 57 57 ILE H H 9.37 0.02 1 206 57 57 ILE CA C 60.17 0.05 1 207 57 57 ILE CB C 40.01 0.05 1 208 57 57 ILE N N 132.02 0.05 1 209 58 58 VAL H H 8.63 0.02 1 210 58 58 VAL CA C 59.39 0.05 1 211 58 58 VAL N N 125.27 0.05 1 212 59 59 GLY H H 9.80 0.02 1 213 59 59 GLY CA C 46.81 0.05 1 214 59 59 GLY N N 112.41 0.05 1 215 60 60 ARG H H 8.27 0.02 1 216 60 60 ARG CA C 56.46 0.05 1 217 60 60 ARG CB C 28.71 0.05 1 218 60 60 ARG N N 115.37 0.05 1 219 61 61 ASN H H 9.19 0.02 1 220 61 61 ASN CA C 54.17 0.05 1 221 61 61 ASN CB C 41.81 0.05 1 222 61 61 ASN N N 118.11 0.05 1 223 62 62 PHE H H 8.75 0.02 1 224 62 62 PHE CA C 58.42 0.05 1 225 62 62 PHE N N 122.06 0.05 1 226 63 63 GLY H H 9.62 0.02 1 227 63 63 GLY CA C 43.51 0.05 1 228 63 63 GLY N N 110.79 0.05 1 229 64 64 SER H H 9.23 0.02 1 230 64 64 SER CA C 57.91 0.05 1 231 64 64 SER CB C 68.96 0.05 1 232 64 64 SER N N 115.98 0.05 1 233 65 65 TYR H H 8.54 0.02 1 234 65 65 TYR CA C 58.39 0.05 1 235 65 65 TYR CB C 40.39 0.05 1 236 65 65 TYR N N 121.77 0.05 1 237 66 66 VAL H H 8.34 0.02 1 238 66 66 VAL CA C 58.23 0.05 1 239 66 66 VAL N N 117.52 0.05 1 240 67 67 THR H H 8.90 0.02 1 241 67 67 THR CA C 61.70 0.05 1 242 67 67 THR CB C 71.33 0.05 1 243 67 67 THR N N 119.93 0.05 1 244 68 68 HIS H H 9.17 0.02 1 245 68 68 HIS CA C 52.39 0.05 1 246 68 68 HIS CB C 35.66 0.05 1 247 68 68 HIS N N 118.47 0.05 1 248 69 69 GLU H H 8.56 0.02 1 249 69 69 GLU CA C 56.39 0.05 1 250 69 69 GLU CB C 30.00 0.05 1 251 69 69 GLU N N 119.67 0.05 1 252 70 70 THR H H 9.06 0.02 1 253 70 70 THR CA C 63.30 0.05 1 254 70 70 THR N N 125.33 0.05 1 255 71 71 ARG H H 9.74 0.02 1 256 71 71 ARG CA C 58.69 0.05 1 257 71 71 ARG CB C 26.59 0.05 1 258 71 71 ARG N N 125.28 0.05 1 259 72 72 HIS H H 8.08 0.02 1 260 72 72 HIS CA C 55.11 0.05 1 261 72 72 HIS CB C 30.94 0.05 1 262 72 72 HIS N N 115.20 0.05 1 263 73 73 PHE H H 8.23 0.02 1 264 73 73 PHE CA C 58.62 0.05 1 265 73 73 PHE CB C 41.29 0.05 1 266 73 73 PHE N N 121.60 0.05 1 267 74 74 ILE H H 8.75 0.02 1 268 74 74 ILE CA C 62.21 0.05 1 269 74 74 ILE N N 128.73 0.05 1 270 75 75 TYR H H 8.33 0.02 1 271 75 75 TYR CA C 54.97 0.05 1 272 75 75 TYR CB C 41.44 0.05 1 273 75 75 TYR N N 125.97 0.05 1 274 76 76 PHE H H 9.20 0.02 1 275 76 76 PHE CA C 54.71 0.05 1 276 76 76 PHE CB C 42.92 0.05 1 277 76 76 PHE N N 124.92 0.05 1 278 77 77 TYR H H 9.14 0.02 1 279 77 77 TYR CA C 56.33 0.05 1 280 77 77 TYR CB C 41.97 0.05 1 281 77 77 TYR N N 118.40 0.05 1 282 78 78 LEU H H 8.74 0.02 1 283 78 78 LEU CA C 54.10 0.05 1 284 78 78 LEU CB C 43.99 0.05 1 285 78 78 LEU N N 122.17 0.05 1 286 79 79 GLY H H 8.88 0.02 1 287 79 79 GLY CA C 47.03 0.05 1 288 79 79 GLY N N 114.31 0.05 1 289 80 80 GLN H H 8.98 0.02 1 290 80 80 GLN CA C 56.39 0.05 1 291 80 80 GLN CB C 29.17 0.05 1 292 80 80 GLN N N 124.08 0.05 1 293 81 81 VAL H H 7.68 0.02 1 294 81 81 VAL CA C 61.93 0.05 1 295 81 81 VAL CB C 33.78 0.05 1 296 81 81 VAL N N 116.58 0.05 1 297 82 82 ALA H H 8.32 0.02 1 298 82 82 ALA CA C 50.34 0.05 1 299 82 82 ALA CB C 20.51 0.05 1 300 82 82 ALA N N 128.00 0.05 1 301 83 83 ILE H H 8.84 0.02 1 302 83 83 ILE CA C 61.25 0.05 1 303 83 83 ILE N N 120.17 0.05 1 304 84 84 LEU H H 9.41 0.02 1 305 84 84 LEU CA C 53.18 0.05 1 306 84 84 LEU CB C 45.76 0.05 1 307 84 84 LEU N N 128.55 0.05 1 308 85 85 LEU H H 8.81 0.02 1 309 85 85 LEU CA C 53.95 0.05 1 310 85 85 LEU CB C 45.92 0.05 1 311 85 85 LEU N N 129.64 0.05 1 312 86 86 PHE H H 8.70 0.02 1 313 86 86 PHE CA C 56.21 0.05 1 314 86 86 PHE N N 120.79 0.05 1 315 87 87 LYS H H 7.58 0.02 1 316 87 87 LYS CA C 53.80 0.05 1 317 87 87 LYS N N 122.88 0.05 1 318 88 88 SER H H 8.23 0.02 1 319 88 88 SER CA C 60.01 0.05 1 320 88 88 SER CB C 64.23 0.05 1 321 88 88 SER N N 118.36 0.05 1 322 89 89 GLY H H 8.91 0.02 1 323 89 89 GLY CA C 46.06 0.05 1 324 89 89 GLY N N 125.78 0.05 1 stop_ save_