data_15953 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; H55K mutant of LC8 at pH 6.7 from Drosophila Melanogaster ; _BMRB_accession_number 15953 _BMRB_flat_file_name bmr15953.str _Entry_type original _Submission_date 2008-09-15 _Accession_date 2008-09-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'H55K mutant of LC8 at pH 6.7 from Drosophila Melanogaster' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hall Justin D. . 2 Hall Andrea R. . 3 Pursifull Nathan . . 4 Barbar Elisar J. . 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" 172 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-03 update BMRB 'complete entry citation' 2008-10-27 update author 'update entry citation' 2008-09-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Differences in Dynamic Structure of LC8 Monomer, Dimer and Dimer-Peptide Complexes.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18942858 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hall Justin D. . 2 Hall Andrea R. . 3 Pursifull Nathan . . 4 Barbar Elisar J. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 47 _Journal_issue 46 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11940 _Page_last 11952 _Year 2008 _Details . loop_ _Keyword Bim Dynein IC LC8 Swa stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'H55K mutant of LC8' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'monomer, chain 1' $H55K_mutant_of_LC8 'monomer, chain 2' $H55K_mutant_of_LC8 stop_ _System_molecular_weight 10372 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_H55K_mutant_of_LC8 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common H55K_mutant_of_LC8 _Molecular_mass 10372 _Mol_thiol_state 'all free' loop_ _Biological_function 'Facilitates partner dimerization' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MSDRKAVIKNADMSEEMQQD AVDCATQALEKYNIEKDIAA YIKKEFDKKYNPTWKCIVGR 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 LYS 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 98.88 98.88 2.59e-58 BMRB 15077 LC8 100.00 89 98.88 98.88 2.59e-58 BMRB 15078 LC8 100.00 89 98.88 98.88 2.59e-58 BMRB 16847 LC8 100.00 89 98.88 98.88 2.59e-58 BMRB 17692 DLC8 100.00 89 98.88 98.88 2.59e-58 PDB 1RHW "The Solution Structure Of The Ph-Induced Monomer Of Dynein Light Chain Lc8 From Drosophila" 100.00 89 98.88 98.88 2.59e-58 PDB 2P2T "Crystal Structure Of Dynein Light Chain Lc8 Bound To Residues 123-138 Of Intermediate Chain Ic74" 100.00 89 98.88 98.88 2.59e-58 PDB 2PG1 "Structural Analysis Of A Cytoplasmic Dynein Light Chain- Intermediate Chain Complex" 100.00 91 98.88 98.88 2.55e-58 PDB 3BRI "Crystal Structure Of Apo-Lc8" 100.00 89 98.88 98.88 2.59e-58 PDB 3BRL "Crystal Structure Of Lc8 S88e SWA" 100.00 89 97.75 97.75 1.40e-57 PDB 3DVH "Lc8 Point Mutant K36p" 100.00 91 97.75 97.75 1.36e-57 PDB 3DVP "Pak1 Peptide Bound Lc8" 100.00 91 97.75 97.75 1.36e-57 PDB 3DVT "Biochemical And Structural Characterization Of The Pak1- Lc8 Interaction" 100.00 91 98.88 98.88 2.55e-58 PDB 3E2B "Crystal Structure Of Dynein Light Chain Lc8 In Complex With A Peptide Derived From Swallow" 100.00 89 98.88 98.88 2.59e-58 PDB 3FM7 "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" 100.00 89 98.88 98.88 2.59e-58 PDB 3GLW "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" 100.00 89 98.88 98.88 2.59e-58 PDB 4QH7 "Lc8 - Ana2 (159-168) Complex" 100.00 94 98.88 98.88 2.78e-58 PDB 4QH8 "Lc8 - Ana2 (237-246) Complex" 100.00 94 98.88 98.88 2.78e-58 GB AAB04148 "cytoplasmic dynein light chain 1 [Drosophila melanogaster]" 100.00 89 98.88 98.88 2.59e-58 GB AAD00072 "8kd dynein light chain [Drosophila melanogaster]" 100.00 89 98.88 98.88 2.59e-58 GB AAD00073 "8kd dynein light chain [Drosophila melanogaster]" 100.00 89 97.75 98.88 7.30e-58 GB AAD00074 "8kd dynein light chain [Drosophila melanogaster]" 100.00 89 98.88 98.88 2.59e-58 GB AAF45975 "cut up, isoform A [Drosophila melanogaster]" 100.00 89 98.88 98.88 2.59e-58 REF NP_001177683 "dynein light chain A [Nasonia vitripennis]" 100.00 89 98.88 98.88 2.59e-58 REF NP_001245530 "cut up, isoform E [Drosophila melanogaster]" 100.00 89 98.88 98.88 2.59e-58 REF NP_001245836 "cytoplasmic dynein light chain 2, isoform C [Drosophila melanogaster]" 100.00 89 97.75 98.88 7.30e-58 REF NP_477408 "cytoplasmic dynein light chain 2, isoform A [Drosophila melanogaster]" 100.00 89 97.75 98.88 7.30e-58 REF NP_525075 "cut up, isoform A [Drosophila melanogaster]" 100.00 89 98.88 98.88 2.59e-58 SP O96860 "RecName: Full=Dynein light chain 2, cytoplasmic; AltName: Full=8 kDa dynein light chain" 100.00 89 97.75 98.88 7.30e-58 SP Q24117 "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; AltName: Full=Cut up protein" 100.00 89 98.88 98.88 2.59e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $H55K_mutant_of_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 $H55K_mutant_of_LC8 'recombinant technology' . Escherichia coli BL21E pET15da stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; H55K concentration was ~1mM in 50mM NaPo4, NaCl. Sample contained 5mM NaN3, DSS, Maleic Acid, and Roche Protease Inhibitor Cocktail. Sample in 10% D2O and 3% glycerol. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $H55K_mutant_of_LC8 1 mM '[U-13C; U-100% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' DSS 5 mM 'natural abundance' D2O 10 % 'natural abundance' glycerol 3 % 'natural abundance' 'Maleic Acid' 5 mM 'natural abundance' 'Roche Protease Inhibitor' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Burrow_Owl _Saveframe_category software _Name Burrow_Owl _Version beta loop_ _Vendor _Address _Electronic_address 'In house' ; 2011 ALS Building Oregon State University Corvallis OR. 97330 ; http://mac.softpedia.com/get/Math-Scientific/Burrow-owl.shtml stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'In house software written by Dr. Greg Benison' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Magnex _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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' 100 . mM pH 6.7 . pH pressure 1 . atm temperature 303.15 . 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 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HNCA' 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 'monomer, 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 8.65 0.05 . 2 2 2 SER CA C 58.3372075698676 . . 3 2 2 SER CB C 63.7902766638383 . . 4 2 2 SER N N 120.991974894372 0.3 . 5 3 3 ASP H H 8.50701868204068 0.05 . 6 3 3 ASP CA C 54.4233754443152 . . 7 3 3 ASP CB C 41.1367324420915 . . 8 3 3 ASP N N 122.918028078833 0.3 . 9 4 4 ARG H H 8.31141167129186 0.05 . 10 4 4 ARG CA C 55.6512443464493 . . 11 4 4 ARG CB C 30.8887005322537 . . 12 4 4 ARG N N 121.271113037047 0.3 . 13 5 5 LYS H H 8.28745854790343 0.05 . 14 5 5 LYS CA C 56.1116951847496 . . 15 5 5 LYS CB C 33.0461809343248 . . 16 5 5 LYS N N 122.160562649378 0.3 . 17 6 6 ALA H H 8.58010649553678 0.05 . 18 6 6 ALA CA C 51.6606704145135 . . 19 6 6 ALA CB C 21.1800387229336 . . 20 6 6 ALA N N 126.583939120266 0.3 . 21 7 7 VAL H H 8.93819653083943 0.05 . 22 7 7 VAL CA C 61.9440724698866 . . 23 7 7 VAL CB C 34.1249211353603 . . 24 7 7 VAL N N 123.128779060137 0.3 . 25 8 8 ILE H H 9.14092424038841 0.05 . 26 8 8 ILE CA C 61.7905888571198 . . 27 8 8 ILE CB C 37.0015616714552 . . 28 8 8 ILE N N 128.870707896813 0.3 . 29 9 9 LYS H H 8.78373732356401 0.05 . 30 9 9 LYS CA C 56.4186624102831 . . 31 9 9 LYS CB C 32.3270208003011 . . 32 9 9 LYS N N 129.0154624053 0.3 . 33 10 10 ASN H H 8.03798896343738 0.05 . 34 10 10 ASN CA C 53.1955065421811 . . 35 10 10 ASN CB C 42.395262676633 . . 36 10 10 ASN N N 113.912742019758 0.3 . 37 11 11 ALA H H 8.54573334985972 0.05 . 38 11 11 ALA CA C 52.4280884783473 . . 39 11 11 ALA CB C 21.8991988569573 . . 40 11 11 ALA N N 122.814737626453 0.3 . 41 12 12 ASP H H 7.87646798402994 0.05 . 42 12 12 ASP CA C 53.8094409932481 . . 43 12 12 ASP CB C 41.6761025426093 . . 44 12 12 ASP N N 120.077408784939 0.3 . 45 13 13 MET H H 7.71875590386461 0.05 . 46 13 13 MET CA C 55.9582115719828 . . 47 13 13 MET CB C 36.6419816044433 . . 48 13 13 MET N N 120.020082526478 0.3 . 49 14 14 SER H H 8.94176904152513 0.05 . 50 14 14 SER CA C 58.2604657634843 . . 51 14 14 SER CB C 64.3296467643561 . . 52 14 14 SER N N 121.456000115131 0.3 . 53 15 15 GLU H H 9.21332699379876 0.05 . 54 15 15 GLU CA C 60.7162035677525 . . 55 15 15 GLU CB C 29.0908001971944 . . 56 15 15 GLU N N 122.93577304882 0.3 . 57 16 16 GLU H H 9.00577243402242 0.05 . 58 16 16 GLU CA C 59.9487855039187 . . 59 16 16 GLU CB C 29.0908001971944 . . 60 16 16 GLU N N 118.955024065411 0.3 . 61 17 17 MET H H 7.53840996490595 0.05 . 62 17 17 MET CA C 60.0 . . 63 17 17 MET CB C 33.0461809343248 . . 64 17 17 MET N N 120.619700913018 0.3 . 65 18 18 GLN H H 8.37828190446604 0.05 . 66 18 18 GLN CA C 59.7953018911519 . . 67 18 18 GLN CB C 28.3716400631707 . . 68 18 18 GLN N N 118.68964079985 0.3 . 69 19 19 GLN H H 7.85288640734451 0.05 . 70 19 19 GLN CA C 58.2167856251546 . . 71 19 19 GLN CB C 28.0120599961588 . . 72 19 19 GLN N N 116.852675264262 0.3 . 73 20 20 ASP H H 7.8346195825916 0.05 . 74 20 20 ASP CA C 57.1860804741169 . . 75 20 20 ASP CB C 40.0 . . 76 20 20 ASP N N 119.484628923924 0.3 . 77 21 21 ALA H H 8.59066331446973 0.05 . 78 21 21 ALA CA C 56.1116951847496 . . 79 21 21 ALA CB C 18.3033981868387 . . 80 21 21 ALA N N 124.093809116721 0.3 . 81 22 22 VAL H H 7.64942752013516 0.05 . 82 22 22 VAL CA C 66.855548078423 . . 83 22 22 VAL CB C 31.2482805992655 . . 84 22 22 VAL N N 117.652233489022 0.3 . 85 23 23 ASP H H 8.86579377742907 0.05 . 86 23 23 ASP CA C 58.1069821507175 . . 87 23 23 ASP CB C 40.2377822745619 . . 88 23 23 ASP N N 123.949054608234 0.3 . 89 24 24 CYS H H 9.05886778652335 0.05 . 90 24 24 CYS CA C 63.4789085975542 . . 91 24 24 CYS CB C 27.652479929147 . . 92 24 24 CYS N N 119.727048110678 0.3 . 93 25 25 ALA H H 8.59549016469709 0.05 . 94 25 25 ALA CA C 55.190793508149 . . 95 25 25 ALA CB C 19.7417184548862 . . 96 25 25 ALA N N 121.657108223846 0.3 . 97 26 26 THR H H 8.5013252379639 0.05 . 98 26 26 THR CA C 67.7764497550236 . . 99 26 26 THR CB C 68.2850275014865 . . 100 26 26 THR N N 115.412253730163 0.3 . 101 27 27 GLN H H 7.84706350555745 0.05 . 102 27 27 GLN CA C 58.5674329890178 . . 103 27 27 GLN CB C 28.3716400631707 . . 104 27 27 GLN N N 120.15550923798 0.3 . 105 28 28 ALA H H 8.46999205878581 0.05 . 106 28 28 ALA CA C 55.190793508149 . . 107 28 28 ALA CB C 20.101298521898 . . 108 28 28 ALA N N 122.284377760626 0.3 . 109 29 29 LEU H H 8.14176624332555 0.05 . 110 29 29 LEU CA C 57.0325968613502 . . 111 29 29 LEU CB C 41.6761025426093 . . 112 29 29 LEU N N 115.96343089 0.3 . 113 30 30 GLU H H 7.32625113368824 0.05 . 114 30 30 GLU CA C 57.0325968613502 . . 115 30 30 GLU CB C 29.8099603312181 . . 116 30 30 GLU N N 116.78929730465 0.3 . 117 31 31 LYS H H 7.20413627116012 0.05 . 118 31 31 LYS CA C 57.6465313124172 . . 119 31 31 LYS CB C 35.5632414034078 . . 120 31 31 LYS N N 117.363179039589 0.3 . 121 32 32 TYR H H 8.27209119946419 0.05 . 122 32 32 TYR CA C 57.0325968613502 . . 123 32 32 TYR CB C 42.395262676633 . . 124 32 32 TYR N N 117.242095714974 0.3 . 125 33 33 ASN H H 8.46275178344478 0.05 . 126 33 33 ASN CA C 52.7350557038808 . . 127 33 33 ASN CB C 40.2377822745619 . . 128 33 33 ASN N N 114.009245025417 0.3 . 129 34 34 ILE H H 7.86180893013886 0.05 . 130 34 34 ILE CA C 60.0 . . 131 34 34 ILE CB C 38.4398819395026 . . 132 34 34 ILE N N 121.198718946969 0.3 . 133 35 35 GLU H H 9.88908602562872 0.05 . 134 35 35 GLU CA C 62.2510396954201 . . 135 35 35 GLU CB C 28.3716400631707 . . 136 35 35 GLU N N 129.690983444909 0.3 . 137 36 36 LYS H H 8.5279142615141 0.05 . 138 36 36 LYS CA C 59.4883346656184 . . 139 36 36 LYS CB C 31.9674407332892 . . 140 36 36 LYS N N 116.301191409804 0.3 . 141 37 37 ASP H H 7.08951289376177 0.05 . 142 37 37 ASP CA C 56.5721460230499 . . 143 37 37 ASP CB C 39.87820220755 . . 144 37 37 ASP N N 120.619700913018 0.3 . 145 38 38 ILE H H 7.74596452468229 0.05 . 146 38 38 ILE CA C 65.7811627890556 . . 147 38 38 ILE CB C 38.4398819395026 . . 148 38 38 ILE N N 122.815144291747 0.3 . 149 39 39 ALA H H 8.1706248165249 0.05 . 150 39 39 ALA CA C 55.0373098953822 . . 151 39 39 ALA CB C 18.3033981868387 . . 152 39 39 ALA N N 119.10518283023 0.3 . 153 40 40 ALA H H 7.60598586808895 0.05 . 154 40 40 ALA CA C 54.8838262826155 . . 155 40 40 ALA CB C 18.3033981868387 . . 156 40 40 ALA N N 117.652233489022 0.3 . 157 41 41 TYR H H 7.68321547172665 0.05 . 158 41 41 TYR CA C 61.9440724698866 . . 159 41 41 TYR CB C 38.4398819395026 . . 160 41 41 TYR N N 119.2686588338 0.3 . 161 42 42 ILE H H 7.69286917218137 0.05 . 162 42 42 ILE CA C 65.6276791762889 . . 163 42 42 ILE CB C 38.0803018724907 . . 164 42 42 ILE N N 118.617263545606 0.3 . 165 43 43 LYS H H 8.17555419491705 0.05 . 166 43 43 LYS CA C 60.5627199549857 . . 167 43 43 LYS CB C 33.4057610013366 . . 168 43 43 LYS N N 117.579856234778 0.3 . 169 44 44 LYS H H 8.084728807838 0.05 . 170 44 44 LYS CA C 59.4883346656184 . . 171 44 44 LYS CB C 31.9674407332892 . . 172 44 44 LYS N N 117.913342528035 0.3 . 173 45 45 GLU H H 7.75609897894972 0.05 . 174 45 45 GLU CA C 58.7209166017846 . . 175 45 45 GLU CB C 30.1695403982299 . . 176 45 45 GLU N N 118.733617149444 0.3 . 177 46 46 PHE H H 8.38793560492075 0.05 . 178 46 46 PHE CA C 63.4789085975542 . . 179 46 46 PHE CB C 36.2824015374315 . . 180 46 46 PHE N N 123.611294088429 0.3 . 181 47 47 ASP H H 9.00094558379507 0.05 . 182 47 47 ASP CA C 57.4930476996505 . . 183 47 47 ASP CB C 39.87820220755 . . 184 47 47 ASP N N 120.257814641799 0.3 . 185 48 48 LYS H H 7.39360445808525 0.05 . 186 48 48 LYS CA C 59.0278838273181 . . 187 48 48 LYS CB C 33.0461809343248 . . 188 48 48 LYS N N 117.266221466388 0.3 . 189 49 49 LYS H H 7.77492562604643 0.05 . 190 49 49 LYS CA C 59.1813674400848 . . 191 49 49 LYS CB C 33.7653410683485 . . 192 49 49 LYS N N 117.507478980534 0.3 . 193 50 50 TYR H H 8.46485536003135 0.05 . 194 50 50 TYR CA C 57.9534985379507 . . 195 50 50 TYR CB C 39.1590420735263 . . 196 50 50 TYR N N 115.448313414211 0.3 . 197 51 51 ASN H H 6.94434915125794 0.05 . 198 51 51 ASN CA C 55.190793508149 . . 199 51 51 ASN CB C 40.0 . . 200 51 51 ASN N N 112.624995185006 0.3 . 201 52 52 PRO CA C 60.5627199549857 . . 202 52 52 PRO CB C 31.9674407332892 . . 203 52 52 PRO N N 119.644599641986 0.3 . 204 53 53 THR H H 7.95338098197481 0.05 . 205 53 53 THR CA C 64.8602611124551 . . 206 53 53 THR CB C 70.4425079035576 . . 207 53 53 THR N N 119.596284180994 0.3 . 208 54 54 TRP H H 10.0604392086999 0.05 . 209 54 54 TRP CA C 56.5721460230499 . . 210 54 54 TRP CB C 29.4503802642062 . . 211 54 54 TRP N N 129.160216913788 0.3 . 212 55 55 LYS H H 9.21332699379876 0.05 . 213 55 55 LYS CA C 54.8838262826155 . . 214 55 55 LYS CB C 34.844081269384 . . 215 55 55 LYS N N 121.584730969602 0.3 . 216 56 56 CYS H H 8.38793560492075 0.05 . 217 56 56 CYS CA C 56.1116951847496 . . 218 56 56 CYS CB C 29.4503802642062 . . 219 56 56 CYS N N 122.477383771943 0.3 . 220 57 57 ILE H H 9.37261305130154 0.05 . 221 57 57 ILE CA C 56.1116951847496 . . 222 57 57 ILE CB C 40.5973623415737 . . 223 57 57 ILE N N 130.607761998664 0.3 . 224 58 58 VAL H H 8.58212844528249 0.05 . 225 58 58 VAL CA C 60.3324945358356 . . 226 58 58 VAL CB C 34.6642912358781 . . 227 58 58 VAL N N 126.870570412571 0.3 . 228 59 59 GLY H H 9.1312705399337 0.05 . 229 59 59 GLY CA C 46.2120021612934 . . 230 59 59 GLY N N 113.8162390141 0.3 . 231 60 60 ARG H H 8.554589963905 0.05 . 232 60 60 ARG CA C 55.4210189272992 . . 233 60 60 ARG CB C 28.5514300966766 . . 234 60 60 ARG N N 122.134222668791 0.3 . 235 61 61 ASN H H 7.84539142158943 0.05 . 236 61 61 ASN CA C 53.579215574098 . . 237 61 61 ASN CB C 38.9792520400204 . . 238 61 61 ASN N N 116.811828171903 0.3 . 239 62 62 PHE H H 8.08867089082463 0.05 . 240 62 62 PHE CA C 57.3395640868837 . . 241 62 62 PHE CB C 38.7994620065144 . . 242 62 62 PHE N N 121.10221594131 0.3 . 243 63 63 GLY H H 8.42896383185328 0.05 . 244 63 63 GLY CA C 46.5957111932103 . . 245 63 63 GLY N N 108.701579714204 0.3 . 246 64 64 SER H H 8.25552395393505 0.05 . 247 64 64 SER CA C 58.7209166017846 . . 248 64 64 SER CB C 63.2509065633205 . . 249 64 64 SER N N 114.920720291178 0.3 . 250 65 65 TYR H H 7.81836727809265 0.05 . 251 65 65 TYR CA C 58.5674329890178 . . 252 65 65 TYR CB C 39.1590420735263 . . 253 65 65 TYR N N 121.15046744414 0.3 . 254 66 66 VAL H H 7.38877760785789 0.05 . 255 66 66 VAL CA C 61.9440724698866 . . 256 66 66 VAL CB C 32.3270208003011 . . 257 66 66 VAL N N 120.378443398872 0.3 . 258 67 67 THR H H 8.1031514415067 0.05 . 259 67 67 THR CA C 60.3742660272257 . . 260 67 67 THR CB C 69.7233477695339 . . 261 67 67 THR N N 116.880209443755 0.3 . 262 68 68 HIS H H 7.9473105074983 0.05 . 263 68 68 HIS CA C 60.7162035677525 . . 264 68 68 HIS CB C 29.0908001971944 . . 265 68 68 HIS N N 115.602454766841 0.3 . 266 69 69 GLU H H 8.09135378419943 0.05 . 267 69 69 GLU CA C 56.4186624102831 . . 268 69 69 GLU CB C 29.4503802642062 . . 269 69 69 GLU N N 118.507645424559 0.3 . 270 70 70 THR H H 7.68530108417218 0.05 . 271 70 70 THR CA C 63.1719413720207 . . 272 70 70 THR CB C 68.6446075684983 . . 273 70 70 THR N N 116.978504086039 0.3 . 274 71 71 ARG H H 8.4603383583311 0.05 . 275 71 71 ARG CA C 55.190793508149 . . 276 71 71 ARG CB C 28.0120599961588 . . 277 71 71 ARG N N 124.14206061955 0.3 . 278 72 72 HIS H H 8.50596909420448 0.05 . 279 72 72 HIS CA C 59.4883346656184 . . 280 72 72 HIS CB C 33.4057610013366 . . 281 72 72 HIS N N 115.736818175813 0.3 . 282 73 73 PHE H H 8.08424163088361 0.05 . 283 73 73 PHE CA C 56.4186624102831 . . 284 73 73 PHE CB C 44.1931630116923 . . 285 73 73 PHE N N 118.439339081599 0.3 . 286 74 74 ILE H H 9.3799789770178 0.05 . 287 74 74 ILE CA C 61.4836216315863 . . 288 74 74 ILE CB C 40.5973623415737 . . 289 74 74 ILE N N 119.850717237606 0.3 . 290 75 75 TYR H H 8.9526770815215 0.05 . 291 75 75 TYR CA C 54.2698918315484 . . 292 75 75 TYR CB C 40.2377822745619 . . 293 75 75 TYR N N 128.195186857204 0.3 . 294 76 76 PHE H H 9.64291666403352 0.05 . 295 76 76 PHE CA C 54.8838262826155 . . 296 76 76 PHE CB C 42.7548427436448 . . 297 76 76 PHE N N 124.986461919061 0.3 . 298 77 77 TYR H H 9.1650584915252 0.05 . 299 77 77 TYR CA C 55.4977607336825 . . 300 77 77 TYR CB C 41.6761025426093 . . 301 77 77 TYR N N 118.038245511656 0.3 . 302 78 78 LEU H H 8.64858551719802 0.05 . 303 78 78 LEU CA C 53.8094409932481 . . 304 78 78 LEU CB C 43.1144228106567 . . 305 78 78 LEU N N 122.380880766284 0.3 . 306 79 79 GLY H H 8.93336968061207 0.05 . 307 79 79 GLY CA C 47.0561620315106 . . 308 79 79 GLY N N 114.974275082001 0.3 . 309 80 80 GLN H H 9.07334833720542 0.05 . 310 80 80 GLN CA C 55.9582115719828 . . 311 80 80 GLN CB C 29.0908001971944 . . 312 80 80 GLN N N 124.962336167647 0.3 . 313 81 81 VAL H H 7.94869223423128 0.05 . 314 81 81 VAL CA C 62.8649741464871 . . 315 81 81 VAL CB C 32.3270208003011 . . 316 81 81 VAL N N 121.005712935652 0.3 . 317 82 82 ALA H H 8.22864954741797 0.05 . 318 82 82 ALA CA C 50.5862851251461 . . 319 82 82 ALA CB C 20.101298521898 . . 320 82 82 ALA N N 129.594480439251 0.3 . 321 83 83 ILE H H 8.93819653083943 0.05 . 322 83 83 ILE CA C 61.023170793286 . . 323 83 83 ILE CB C 39.5186221405381 . . 324 83 83 ILE N N 121.777736980919 0.3 . 325 84 84 LEU H H 8.74994937197251 0.05 . 326 84 84 LEU CA C 53.4257319613312 . . 327 84 84 LEU CB C 44.3729530451982 . . 328 84 84 LEU N N 127.567917320424 0.3 . 329 85 85 LEU H H 8.87544747788379 0.05 . 330 85 85 LEU CA C 53.4257319613312 . . 331 85 85 LEU CB C 46.5304334472693 . . 332 85 85 LEU N N 130.22174997603 0.3 . 333 86 86 PHE H H 9.30021029789119 0.05 . 334 86 86 PHE CA C 56.188436991133 . . 335 86 86 PHE CB C 41.8558925761152 . . 336 86 86 PHE N N 121.584730969602 0.3 . 337 87 87 LYS H H 8.09832459127934 0.05 . 338 87 87 LYS CA C 55.4210189272992 . . 339 87 87 LYS CB C 33.2259709678307 . . 340 87 87 LYS N N 123.345910822868 0.3 . 341 88 88 SER H H 8.75517289608716 0.05 . 342 88 88 SER CA C 58.6441747954012 . . 343 88 88 SER CB C 64.1498567308502 . . 344 88 88 SER N N 124.37476917673 0.3 . 345 89 89 GLY H H 7.96166657314667 0.05 . 346 89 89 GLY CA C 46.3654857740601 . . 347 89 89 GLY N N 117.552390613654 0.3 . stop_ save_