data_15076 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Dynein Light Chain LC8 at pH 5.5 ; _BMRB_accession_number 15076 _BMRB_flat_file_name bmr15076.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" 87 "13C chemical shifts" 87 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-10-17 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15077 'B-DNA Dodecamer' 15078 'LC8 / IC 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 dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'LC8, chain 1' $LC8 'LC8, chain 2' $LC8 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 15077 LC8 100.00 89 100.00 100.00 1.51e-59 BMRB 15078 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_ #################### # 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]' '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_ ####################### # 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' 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, chain 1' _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 H H 9.26 0.02 1 2 2 2 SER CA C 58.41 0.05 1 3 2 2 SER N N 123.15 0.05 1 4 3 3 ASP H H 8.49 0.02 1 5 3 3 ASP CA C 54.33 0.05 1 6 3 3 ASP N N 122.93 0.05 1 7 4 4 ARG H H 8.28 0.02 1 8 4 4 ARG CA C 55.62 0.05 1 9 4 4 ARG N N 121.02 0.05 1 10 5 5 LYS H H 8.24 0.02 1 11 5 5 LYS CA C 56.05 0.05 1 12 5 5 LYS N N 122.04 0.05 1 13 6 6 ALA H H 8.52 0.02 1 14 6 6 ALA CA C 51.65 0.05 1 15 6 6 ALA N N 126.42 0.05 1 16 7 7 VAL H H 8.93 0.02 1 17 7 7 VAL CA C 61.91 0.05 1 18 7 7 VAL N N 123.26 0.05 1 19 8 8 ILE H H 9.17 0.02 1 20 8 8 ILE CA C 61.66 0.05 1 21 8 8 ILE N N 128.96 0.05 1 22 9 9 LYS H H 8.39 0.02 1 23 9 9 LYS CA C 56.31 0.05 1 24 9 9 LYS N N 129.12 0.05 1 25 10 10 ASN H H 8.17 0.02 1 26 10 10 ASN CA C 53.63 0.05 1 27 10 10 ASN N N 114.96 0.05 1 28 11 11 ALA H H 8.82 0.02 1 29 11 11 ALA CA C 51.99 0.05 1 30 11 11 ALA N N 124.76 0.05 1 31 12 12 ASP H H 8.84 0.02 1 32 12 12 ASP CA C 53.02 0.05 1 33 12 12 ASP N N 122.48 0.05 1 34 13 13 MET H H 7.96 0.02 1 35 13 13 MET CA C 55.79 0.05 1 36 13 13 MET N N 120.18 0.05 1 37 14 14 SER H H 9.31 0.02 1 38 14 14 SER CA C 58.39 0.05 1 39 14 14 SER N N 123.06 0.05 1 40 15 15 GLU H H 9.29 0.02 1 41 15 15 GLU CA C 60.77 0.05 1 42 15 15 GLU N N 123.40 0.05 1 43 16 16 GLU H H 9.14 0.02 1 44 16 16 GLU CA C 60.10 0.05 1 45 16 16 GLU N N 118.98 0.05 1 46 17 17 MET H H 7.57 0.02 1 47 17 17 MET CA C 59.59 0.05 1 48 17 17 MET N N 121.07 0.05 1 49 18 18 GLN H H 8.41 0.02 1 50 18 18 GLN CA C 59.59 0.05 1 51 18 18 GLN N N 119.10 0.05 1 52 19 19 GLN H H 7.75 0.02 1 53 19 19 GLN CA C 58.33 0.05 1 54 19 19 GLN N N 116.76 0.05 1 55 20 20 ASP H H 7.66 0.02 1 56 20 20 ASP CA C 57.10 0.05 1 57 20 20 ASP N N 119.19 0.05 1 58 21 21 ALA H H 8.63 0.02 1 59 21 21 ALA CA C 56.09 0.05 1 60 21 21 ALA N N 124.11 0.05 1 61 22 22 VAL H H 7.71 0.02 1 62 22 22 VAL CA C 66.94 0.05 1 63 22 22 VAL N N 117.95 0.05 1 64 23 23 ASP H H 8.81 0.02 1 65 23 23 ASP CA C 58.33 0.05 1 66 23 23 ASP N N 123.99 0.05 1 67 24 24 CYS H H 9.01 0.02 1 68 24 24 CYS CA C 63.39 0.05 1 69 24 24 CYS N N 120.67 0.05 1 70 25 25 ALA H H 8.55 0.02 1 71 25 25 ALA CA C 55.24 0.05 1 72 25 25 ALA N N 120.63 0.05 1 73 26 26 THR H H 8.44 0.02 1 74 26 26 THR CA C 67.87 0.05 1 75 26 26 THR N N 115.18 0.05 1 76 27 27 GLN H H 7.82 0.02 1 77 27 27 GLN CA C 58.79 0.05 1 78 27 27 GLN N N 120.19 0.05 1 79 28 28 ALA H H 8.44 0.02 1 80 28 28 ALA CA C 55.20 0.05 1 81 28 28 ALA N N 122.39 0.05 1 82 29 29 LEU H H 8.12 0.02 1 83 29 29 LEU CA C 57.26 0.05 1 84 29 29 LEU N N 116.10 0.05 1 85 30 30 GLU H H 7.33 0.02 1 86 30 30 GLU CA C 57.48 0.05 1 87 30 30 GLU N N 116.35 0.05 1 88 31 31 LYS H H 7.26 0.02 1 89 31 31 LYS CA C 57.90 0.05 1 90 31 31 LYS N N 117.70 0.05 1 91 32 32 TYR H H 8.15 0.02 1 92 32 32 TYR CA C 57.14 0.05 1 93 32 32 TYR N N 117.00 0.05 1 94 33 33 ASN H H 8.38 0.02 1 95 33 33 ASN CA C 52.88 0.05 1 96 33 33 ASN N N 114.03 0.05 1 97 34 34 ILE H H 7.88 0.02 1 98 34 34 ILE CA C 60.44 0.05 1 99 34 34 ILE N N 121.71 0.05 1 100 35 35 GLU H H 10.12 0.02 1 101 35 35 GLU CA C 62.67 0.05 1 102 35 35 GLU N N 129.55 0.05 1 103 36 36 LYS H H 8.79 0.02 1 104 36 36 LYS CA C 59.89 0.05 1 105 36 36 LYS N N 116.87 0.05 1 106 37 37 ASP H H 6.89 0.02 1 107 37 37 ASP CA C 56.59 0.05 1 108 37 37 ASP N N 120.14 0.05 1 109 38 38 ILE H H 7.62 0.02 1 110 38 38 ILE CA C 65.63 0.05 1 111 38 38 ILE N N 122.83 0.05 1 112 39 39 ALA H H 8.13 0.02 1 113 39 39 ALA CA C 54.61 0.05 1 114 39 39 ALA N N 119.28 0.05 1 115 40 40 ALA H H 7.84 0.02 1 116 40 40 ALA CA C 54.99 0.05 1 117 40 40 ALA N N 119.00 0.05 1 118 41 41 TYR H H 7.38 0.02 1 119 41 41 TYR CA C 61.91 0.05 1 120 41 41 TYR N N 117.47 0.05 1 121 42 42 ILE H H 7.59 0.02 1 122 42 42 ILE CA C 65.17 0.05 1 123 42 42 ILE N N 117.57 0.05 1 124 43 43 LYS H H 8.18 0.02 1 125 43 43 LYS CA C 61.11 0.05 1 126 43 43 LYS N N 118.55 0.05 1 127 44 44 LYS H H 8.36 0.02 1 128 44 44 LYS CA C 60.06 0.05 1 129 44 44 LYS N N 117.23 0.05 1 130 45 45 GLU H H 7.88 0.02 1 131 45 45 GLU CA C 58.79 0.05 1 132 45 45 GLU N N 120.10 0.05 1 133 46 46 PHE H H 8.42 0.02 1 134 46 46 PHE CA C 63.73 0.05 1 135 46 46 PHE N N 123.16 0.05 1 136 47 47 ASP H H 8.54 0.02 1 137 47 47 ASP CA C 57.31 0.05 1 138 47 47 ASP N N 120.09 0.05 1 139 48 48 LYS H H 7.25 0.02 1 140 48 48 LYS CA C 59.09 0.05 1 141 48 48 LYS N N 117.67 0.05 1 142 49 49 LYS H H 7.93 0.02 1 143 49 49 LYS CA C 58.87 0.05 1 144 49 49 LYS N N 117.57 0.05 1 145 50 50 TYR H H 8.39 0.02 1 146 50 50 TYR CA C 58.20 0.05 1 147 50 50 TYR N N 115.08 0.05 1 148 51 51 ASN H H 6.97 0.02 1 149 51 51 ASN CA C 55.33 0.05 1 150 51 51 ASN N N 113.25 0.05 1 151 52 52 PRO CA C 60.61 0.05 1 152 53 53 THR H H 8.01 0.02 1 153 53 53 THR CA C 64.95 0.05 1 154 53 53 THR N N 121.45 0.05 1 155 54 54 TRP H H 9.53 0.02 1 156 54 54 TRP CA C 55.85 0.05 1 157 54 54 TRP N N 128.10 0.05 1 158 55 55 HIS H H 8.51 0.02 1 159 55 55 HIS CA C 55.03 0.05 1 160 55 55 HIS N N 118.68 0.05 1 161 56 56 CYS H H 8.25 0.02 1 162 56 56 CYS CA C 56.60 0.05 1 163 56 56 CYS N N 120.70 0.05 1 164 57 57 ILE H H 9.31 0.02 1 165 57 57 ILE CA C 59.89 0.05 1 166 57 57 ILE N N 132.38 0.05 1 167 58 58 VAL H H 8.31 0.02 1 168 58 58 VAL CA C 59.59 0.05 1 169 58 58 VAL N N 124.59 0.05 1 170 59 59 GLY H H 9.63 0.02 1 171 59 59 GLY CA C 46.55 0.05 1 172 59 59 GLY N N 112.40 0.05 1 173 60 60 ARG H H 8.74 0.02 1 174 60 60 ARG CA C 57.14 0.05 1 175 60 60 ARG N N 118.69 0.05 1 176 61 61 ASN H H 8.98 0.02 1 177 61 61 ASN CA C 54.99 0.05 1 178 61 61 ASN N N 116.87 0.05 1 179 62 62 PHE H H 8.02 0.02 1 180 62 62 PHE CA C 57.61 0.05 1 181 62 62 PHE N N 119.54 0.05 1 182 63 63 GLY H H 9.53 0.02 1 183 63 63 GLY CA C 43.51 0.05 1 184 63 63 GLY N N 108.05 0.05 1 185 64 64 SER H H 8.27 0.02 1 186 64 64 SER CA C 57.31 0.05 1 187 64 64 SER N N 112.09 0.05 1 188 65 65 TYR H H 9.01 0.02 1 189 65 65 TYR CA C 54.97 0.05 1 190 65 65 TYR N N 116.70 0.05 1 191 66 66 VAL H H 8.01 0.02 1 192 66 66 VAL CA C 58.00 0.05 1 193 66 66 VAL N N 119.58 0.05 1 194 67 67 THR H H 9.01 0.02 1 195 67 67 THR CA C 63.52 0.05 1 196 67 67 THR N N 120.61 0.05 1 197 68 68 HIS H H 8.53 0.02 1 198 68 68 HIS CA C 55.20 0.05 1 199 68 68 HIS N N 120.61 0.05 1 200 69 69 GLU H H 8.22 0.02 1 201 69 69 GLU CA C 56.09 0.05 1 202 69 69 GLU N N 122.39 0.05 1 203 70 70 THR H H 8.99 0.02 1 204 70 70 THR CA C 64.62 0.05 1 205 70 70 THR N N 126.26 0.05 1 206 71 71 ARG H H 9.23 0.02 1 207 71 71 ARG CA C 58.72 0.05 1 208 71 71 ARG N N 122.90 0.05 1 209 72 72 HIS H H 8.41 0.02 1 210 72 72 HIS CA C 55.29 0.05 1 211 72 72 HIS N N 122.34 0.05 1 212 73 73 PHE H H 8.14 0.02 1 213 73 73 PHE CA C 58.33 0.05 1 214 73 73 PHE N N 121.45 0.05 1 215 74 74 ILE H H 8.74 0.02 1 216 74 74 ILE CA C 62.00 0.05 1 217 74 74 ILE N N 128.89 0.05 1 218 75 75 TYR H H 8.34 0.02 1 219 75 75 TYR CA C 54.61 0.05 1 220 75 75 TYR N N 127.12 0.05 1 221 76 76 PHE H H 9.31 0.02 1 222 76 76 PHE CA C 54.82 0.05 1 223 76 76 PHE N N 124.96 0.05 1 224 77 77 TYR H H 9.20 0.02 1 225 77 77 TYR CA C 55.88 0.05 1 226 77 77 TYR N N 118.32 0.05 1 227 78 78 LEU H H 8.79 0.02 1 228 78 78 LEU CA C 53.93 0.05 1 229 78 78 LEU N N 122.27 0.05 1 230 79 79 GLY H H 8.94 0.02 1 231 79 79 GLY CA C 46.76 0.05 1 232 79 79 GLY N N 114.55 0.05 1 233 80 80 GLN H H 9.00 0.02 1 234 80 80 GLN CA C 56.13 0.05 1 235 80 80 GLN N N 124.60 0.05 1 236 81 81 VAL H H 7.71 0.02 1 237 81 81 VAL CA C 62.59 0.05 1 238 81 81 VAL N N 118.44 0.05 1 239 82 82 ALA H H 8.38 0.02 1 240 82 82 ALA CA C 50.43 0.05 1 241 82 82 ALA N N 128.70 0.05 1 242 83 83 ILE H H 8.86 0.02 1 243 83 83 ILE CA C 60.65 0.05 1 244 83 83 ILE N N 120.13 0.05 1 245 84 84 LEU H H 9.29 0.02 1 246 84 84 LEU CA C 53.26 0.05 1 247 84 84 LEU N N 128.16 0.05 1 248 85 85 LEU H H 8.83 0.02 1 249 85 85 LEU CA C 53.98 0.05 1 250 85 85 LEU N N 130.13 0.05 1 251 86 86 PHE H H 8.83 0.02 1 252 86 86 PHE CA C 56.38 0.05 1 253 86 86 PHE N N 120.97 0.05 1 254 87 87 LYS H H 7.65 0.02 1 255 87 87 LYS CA C 54.40 0.05 1 256 87 87 LYS N N 119.51 0.05 1 257 88 88 SER H H 8.52 0.02 1 258 88 88 SER CA C 55.33 0.05 1 259 88 88 SER N N 118.59 0.05 1 260 89 89 GLY H H 8.52 0.02 1 261 89 89 GLY N N 123.78 0.05 1 stop_ save_