data_15077 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Dynein Light Chain LC8 at pH 5.5, complex with Swa peptide ; _BMRB_accession_number 15077 _BMRB_flat_file_name bmr15077.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" 156 "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 15076 'LC8 dimer' 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 / Swa complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LC8 $LC8 swa $swa 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 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_ save_swa _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common swa _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 17 _Mol_residue_sequence MYHIRSATSAKATQTDF loop_ _Residue_seq_code _Residue_label 1 MET 2 TYR 3 HIS 4 ILE 5 ARG 6 SER 7 ALA 8 THR 9 SER 10 ALA 11 LYS 12 ALA 13 THR 14 GLN 15 THR 16 ASP 17 PHE 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 PDB 3E2B "Crystal Structure Of Dynein Light Chain Lc8 In Complex With A Peptide Derived From Swallow" 94.12 16 100.00 100.00 4.54e-01 EMBL CAA39500 "swallow [Drosophila melanogaster]" 100.00 548 100.00 100.00 2.49e+00 GB AAF46160 "swallow [Drosophila melanogaster]" 100.00 548 100.00 100.00 2.49e+00 GB AAL39632 "LD21771p [Drosophila melanogaster]" 100.00 548 100.00 100.00 2.49e+00 GB ACL86011 "swa-PA, partial [synthetic construct]" 100.00 548 100.00 100.00 2.49e+00 GB ACL90828 "swa-PA [synthetic construct]" 100.00 548 100.00 100.00 2.49e+00 REF NP_511060 "swallow [Drosophila melanogaster]" 100.00 548 100.00 100.00 2.49e+00 SP P40688 "RecName: Full=Protein swallow [Drosophila melanogaster]" 100.00 548 100.00 100.00 2.49e+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 $swa '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 $swa '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]' $swa . 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 H H 8.83 0.02 1 2 2 2 SER CA C 58.25 0.05 1 3 2 2 SER CB C 64.14 0.05 1 4 2 2 SER N N 119.08 0.05 1 5 3 3 ASP H H 8.51 0.02 1 6 3 3 ASP CA C 54.42 0.05 1 7 3 3 ASP CB C 40.82 0.05 1 8 3 3 ASP N N 122.94 0.05 1 9 4 4 ARG H H 8.31 0.02 1 10 4 4 ARG CA C 55.68 0.05 1 11 4 4 ARG CB C 31.08 0.05 1 12 4 4 ARG N N 121.05 0.05 1 13 5 5 LYS H H 8.27 0.02 1 14 5 5 LYS CA C 56.10 0.05 1 15 5 5 LYS CB C 33.47 0.05 1 16 5 5 LYS N N 122.07 0.05 1 17 6 6 ALA H H 8.63 0.02 1 18 6 6 ALA CA C 51.59 0.05 1 19 6 6 ALA CB C 21.06 0.05 1 20 6 6 ALA N N 127.00 0.05 1 21 7 7 VAL H H 9.02 0.02 1 22 7 7 VAL CA C 61.89 0.05 1 23 7 7 VAL CB C 34.43 0.05 1 24 7 7 VAL N N 123.32 0.05 1 25 8 8 ILE H H 9.21 0.02 1 26 8 8 ILE CA C 61.62 0.05 1 27 8 8 ILE CB C 36.85 0.05 1 28 8 8 ILE N N 128.91 0.05 1 29 9 9 LYS H H 8.24 0.02 1 30 9 9 LYS CA C 56.13 0.05 1 31 9 9 LYS CB C 32.97 0.05 1 32 9 9 LYS N N 129.25 0.05 1 33 10 10 ASN H H 8.30 0.02 1 34 10 10 ASN CA C 53.75 0.05 1 35 10 10 ASN CB C 41.30 0.05 1 36 10 10 ASN N N 115.82 0.05 1 37 11 11 ALA H H 8.84 0.02 1 38 11 11 ALA CA C 51.85 0.05 1 39 11 11 ALA CB C 22.40 0.05 1 40 11 11 ALA N N 125.93 0.05 1 41 12 12 ASP H H 8.92 0.02 1 42 12 12 ASP CA C 53.43 0.05 1 43 12 12 ASP CB C 41.82 0.05 1 44 12 12 ASP N N 122.29 0.05 1 45 13 13 MET H H 8.04 0.02 1 46 13 13 MET CA C 55.79 0.05 1 47 13 13 MET CB C 37.82 0.05 1 48 13 13 MET N N 120.56 0.05 1 49 14 14 SER H H 9.29 0.02 1 50 14 14 SER CA C 58.33 0.05 1 51 14 14 SER CB C 64.29 0.05 1 52 14 14 SER N N 122.68 0.05 1 53 15 15 GLU H H 9.32 0.02 1 54 15 15 GLU CA C 60.68 0.05 1 55 15 15 GLU CB C 28.54 0.05 1 56 15 15 GLU N N 123.43 0.05 1 57 16 16 GLU H H 9.20 0.02 1 58 16 16 GLU CA C 60.01 0.05 1 59 16 16 GLU CB C 28.54 0.05 1 60 16 16 GLU N N 118.64 0.05 1 61 17 17 MET H H 7.59 0.02 1 62 17 17 MET CA C 59.73 0.05 1 63 17 17 MET CB C 33.46 0.05 1 64 17 17 MET N N 121.11 0.05 1 65 18 18 GLN H H 8.40 0.02 1 66 18 18 GLN CA C 59.73 0.05 1 67 18 18 GLN CB C 29.90 0.05 1 68 18 18 GLN N N 119.27 0.05 1 69 19 19 GLN H H 7.79 0.02 1 70 19 19 GLN CA C 58.33 0.05 1 71 19 19 GLN CB C 28.22 0.05 1 72 19 19 GLN N N 116.91 0.05 1 73 20 20 ASP H H 7.71 0.02 1 74 20 20 ASP CA C 57.05 0.05 1 75 20 20 ASP CB C 40.65 0.05 1 76 20 20 ASP N N 119.31 0.05 1 77 21 21 ALA H H 8.63 0.02 1 78 21 21 ALA CA C 56.04 0.05 1 79 21 21 ALA CB C 17.67 0.05 1 80 21 21 ALA N N 123.94 0.05 1 81 22 22 VAL H H 7.75 0.02 1 82 22 22 VAL CA C 66.97 0.05 1 83 22 22 VAL CB C 31.97 0.05 1 84 22 22 VAL N N 117.93 0.05 1 85 23 23 ASP H H 8.91 0.02 1 86 23 23 ASP CA C 58.04 0.05 1 87 23 23 ASP CB C 39.88 0.05 1 88 23 23 ASP N N 123.98 0.05 1 89 24 24 CYS H H 9.05 0.02 1 90 24 24 CYS CA C 63.37 0.05 1 91 24 24 CYS CB C 27.44 0.05 1 92 24 24 CYS N N 120.83 0.05 1 93 25 25 ALA H H 8.55 0.02 1 94 25 25 ALA CA C 55.16 0.05 1 95 25 25 ALA CB C 19.72 0.05 1 96 25 25 ALA N N 120.84 0.05 1 97 26 26 THR H H 8.49 0.02 1 98 26 26 THR CA C 67.95 0.05 1 99 26 26 THR CB C 68.52 0.05 1 100 26 26 THR N N 115.18 0.05 1 101 27 27 GLN H H 7.88 0.02 1 102 27 27 GLN CA C 58.60 0.05 1 103 27 27 GLN CB C 28.54 0.05 1 104 27 27 GLN N N 120.41 0.05 1 105 28 28 ALA H H 8.41 0.02 1 106 28 28 ALA CA C 55.30 0.05 1 107 28 28 ALA CB C 21.34 0.05 1 108 28 28 ALA N N 122.34 0.05 1 109 29 29 LEU H H 8.21 0.02 1 110 29 29 LEU CA C 57.21 0.05 1 111 29 29 LEU CB C 42.45 0.05 1 112 29 29 LEU N N 116.59 0.05 1 113 30 30 GLU H H 7.31 0.02 1 114 30 30 GLU CA C 57.31 0.05 1 115 30 30 GLU CB C 29.01 0.05 1 116 30 30 GLU N N 116.24 0.05 1 117 31 31 LYS H H 7.17 0.02 1 118 31 31 LYS CA C 57.62 0.05 1 119 31 31 LYS CB C 35.55 0.05 1 120 31 31 LYS N N 117.55 0.05 1 121 32 32 TYR H H 8.18 0.02 1 122 32 32 TYR CA C 57.16 0.05 1 123 32 32 TYR CB C 42.22 0.05 1 124 32 32 TYR N N 117.03 0.05 1 125 33 33 ASN H H 8.37 0.02 1 126 33 33 ASN CA C 52.90 0.05 1 127 33 33 ASN CB C 40.61 0.05 1 128 33 33 ASN N N 114.22 0.05 1 129 34 34 ILE H H 8.07 0.02 1 130 34 34 ILE CA C 59.83 0.05 1 131 34 34 ILE N N 122.27 0.05 1 132 35 35 GLU H H 9.39 0.02 1 133 35 35 GLU CA C 61.24 0.05 1 134 35 35 GLU N N 129.61 0.05 1 135 36 36 LYS H H 8.84 0.02 1 136 36 36 LYS CA C 59.42 0.05 1 137 36 36 LYS N N 115.32 0.05 1 138 37 37 ASP H H 7.14 0.02 1 139 37 37 ASP CA C 56.36 0.05 1 140 37 37 ASP CB C 40.07 0.05 1 141 37 37 ASP N N 123.08 0.05 1 142 38 38 ILE H H 7.47 0.02 1 143 38 38 ILE CA C 65.60 0.05 1 144 38 38 ILE N N 123.30 0.05 1 145 39 39 ALA H H 8.27 0.02 1 146 39 39 ALA CA C 54.72 0.05 1 147 39 39 ALA CB C 17.67 0.05 1 148 39 39 ALA N N 119.38 0.05 1 149 40 40 ALA H H 7.72 0.02 1 150 40 40 ALA CA C 54.76 0.05 1 151 40 40 ALA CB C 18.30 0.05 1 152 40 40 ALA N N 118.59 0.05 1 153 41 41 TYR H H 7.34 0.02 1 154 41 41 TYR CA C 61.95 0.05 1 155 41 41 TYR CB C 38.87 0.05 1 156 41 41 TYR N N 117.34 0.05 1 157 42 42 ILE H H 7.65 0.02 1 158 42 42 ILE CA C 65.34 0.05 1 159 42 42 ILE CB C 40.67 0.05 1 160 42 42 ILE N N 117.29 0.05 1 161 43 43 LYS H H 8.26 0.02 1 162 43 43 LYS CA C 61.28 0.05 1 163 43 43 LYS N N 118.63 0.05 1 164 44 44 LYS H H 8.39 0.02 1 165 44 44 LYS CA C 60.45 0.05 1 166 44 44 LYS CB C 32.32 0.05 1 167 44 44 LYS N N 117.48 0.05 1 168 45 45 GLU H H 7.85 0.02 1 169 45 45 GLU CA C 58.69 0.05 1 170 45 45 GLU CB C 29.20 0.05 1 171 45 45 GLU N N 119.87 0.05 1 172 46 46 PHE H H 8.45 0.02 1 173 46 46 PHE CA C 63.71 0.05 1 174 46 46 PHE CB C 36.13 0.05 1 175 46 46 PHE N N 123.15 0.05 1 176 47 47 ASP H H 8.54 0.02 1 177 47 47 ASP CA C 57.26 0.05 1 178 47 47 ASP CB C 40.25 0.05 1 179 47 47 ASP N N 119.77 0.05 1 180 48 48 LYS H H 7.22 0.02 1 181 48 48 LYS CA C 59.14 0.05 1 182 48 48 LYS CB C 32.63 0.05 1 183 48 48 LYS N N 117.30 0.05 1 184 49 49 LYS H H 7.96 0.02 1 185 49 49 LYS CA C 58.94 0.05 1 186 49 49 LYS CB C 33.74 0.05 1 187 49 49 LYS N N 117.68 0.05 1 188 50 50 TYR H H 8.41 0.02 1 189 50 50 TYR CA C 57.92 0.05 1 190 50 50 TYR CB C 39.64 0.05 1 191 50 50 TYR N N 115.56 0.05 1 192 51 51 ASN H H 6.91 0.02 1 193 51 51 ASN CA C 55.31 0.05 1 194 51 51 ASN N N 112.68 0.05 1 195 52 52 PRO CA C 68.03 0.05 1 196 52 52 PRO CB C 32.34 0.05 1 197 53 53 THR H H 7.86 0.02 1 198 53 53 THR CA C 65.10 0.05 1 199 53 53 THR CB C 69.33 0.05 1 200 53 53 THR N N 119.87 0.05 1 201 54 54 TRP H H 9.47 0.02 1 202 54 54 TRP CA C 55.64 0.05 1 203 54 54 TRP CB C 29.38 0.05 1 204 54 54 TRP N N 127.38 0.05 1 205 55 55 HIS H H 8.45 0.02 1 206 55 55 HIS CA C 54.77 0.05 1 207 55 55 HIS CB C 34.52 0.05 1 208 55 55 HIS N N 118.95 0.05 1 209 56 56 CYS H H 8.42 0.02 1 210 56 56 CYS CA C 56.64 0.05 1 211 56 56 CYS CB C 30.74 0.05 1 212 56 56 CYS N N 120.68 0.05 1 213 57 57 ILE H H 9.38 0.02 1 214 57 57 ILE CA C 60.17 0.05 1 215 57 57 ILE N N 131.82 0.05 1 216 58 58 VAL H H 8.76 0.02 1 217 58 58 VAL CA C 59.39 0.05 1 218 58 58 VAL CB C 37.80 0.05 1 219 58 58 VAL N N 125.57 0.05 1 220 59 59 GLY H H 9.81 0.02 1 221 59 59 GLY CA C 46.87 0.05 1 222 59 59 GLY N N 112.55 0.05 1 223 60 60 ARG H H 8.35 0.02 1 224 60 60 ARG CA C 56.58 0.05 1 225 60 60 ARG CB C 31.90 0.05 1 226 60 60 ARG N N 116.10 0.05 1 227 61 61 ASN H H 9.32 0.02 1 228 61 61 ASN CA C 55.04 0.05 1 229 61 61 ASN CB C 41.30 0.05 1 230 61 61 ASN N N 117.33 0.05 1 231 62 62 PHE H H 8.58 0.02 1 232 62 62 PHE CA C 58.48 0.05 1 233 62 62 PHE N N 122.53 0.05 1 234 63 63 GLY H H 9.65 0.02 1 235 63 63 GLY CA C 43.44 0.05 1 236 63 63 GLY N N 111.08 0.05 1 237 64 64 SER H H 9.31 0.02 1 238 64 64 SER CA C 57.45 0.05 1 239 64 64 SER CB C 63.98 0.05 1 240 64 64 SER N N 116.29 0.05 1 241 65 65 TYR H H 8.58 0.02 1 242 65 65 TYR CA C 59.50 0.05 1 243 65 65 TYR CB C 38.78 0.05 1 244 65 65 TYR N N 120.73 0.05 1 245 66 66 VAL H H 8.22 0.02 1 246 66 66 VAL CA C 57.60 0.05 1 247 66 66 VAL CB C 32.03 0.05 1 248 66 66 VAL N N 118.72 0.05 1 249 67 67 THR H H 8.74 0.02 1 250 67 67 THR CA C 61.91 0.05 1 251 67 67 THR CB C 69.28 0.05 1 252 67 67 THR N N 118.38 0.05 1 253 68 68 HIS H H 8.84 0.02 1 254 68 68 HIS CA C 52.12 0.05 1 255 68 68 HIS N N 117.89 0.05 1 256 69 69 GLU H H 8.62 0.02 1 257 69 69 GLU CA C 56.36 0.05 1 258 69 69 GLU CB C 30.00 0.05 1 259 69 69 GLU N N 120.38 0.05 1 260 70 70 THR H H 9.06 0.02 1 261 70 70 THR CA C 64.53 0.05 1 262 70 70 THR N N 126.81 0.05 1 263 71 71 ARG H H 9.83 0.02 1 264 71 71 ARG CA C 58.55 0.05 1 265 71 71 ARG CB C 31.06 0.05 1 266 71 71 ARG N N 122.86 0.05 1 267 72 72 HIS H H 8.00 0.02 1 268 72 72 HIS CA C 55.12 0.05 1 269 72 72 HIS CB C 31.00 0.05 1 270 72 72 HIS N N 115.24 0.05 1 271 73 73 PHE H H 8.17 0.02 1 272 73 73 PHE CA C 58.33 0.05 1 273 73 73 PHE CB C 41.29 0.05 1 274 73 73 PHE N N 121.75 0.05 1 275 74 74 ILE H H 8.76 0.02 1 276 74 74 ILE CA C 62.04 0.05 1 277 74 74 ILE N N 128.81 0.05 1 278 75 75 TYR H H 8.30 0.02 1 279 75 75 TYR CA C 54.97 0.05 1 280 75 75 TYR CB C 41.77 0.05 1 281 75 75 TYR N N 126.23 0.05 1 282 76 76 PHE H H 9.31 0.02 1 283 76 76 PHE CA C 55.26 0.05 1 284 76 76 PHE CB C 43.37 0.05 1 285 76 76 PHE N N 125.03 0.05 1 286 77 77 TYR H H 9.21 0.02 1 287 77 77 TYR CA C 55.12 0.05 1 288 77 77 TYR CB C 41.29 0.05 1 289 77 77 TYR N N 119.00 0.05 1 290 78 78 LEU H H 8.66 0.02 1 291 78 78 LEU CA C 54.10 0.05 1 292 78 78 LEU CB C 43.99 0.05 1 293 78 78 LEU N N 122.38 0.05 1 294 79 79 GLY H H 8.86 0.02 1 295 79 79 GLY CA C 47.03 0.05 1 296 79 79 GLY N N 114.01 0.05 1 297 80 80 GLN H H 8.84 0.02 1 298 80 80 GLN CA C 56.13 0.05 1 299 80 80 GLN CB C 29.17 0.05 1 300 80 80 GLN N N 124.00 0.05 1 301 81 81 VAL H H 7.58 0.02 1 302 81 81 VAL CA C 61.20 0.05 1 303 81 81 VAL CB C 33.78 0.05 1 304 81 81 VAL N N 115.03 0.05 1 305 82 82 ALA H H 8.46 0.02 1 306 82 82 ALA CA C 50.52 0.05 1 307 82 82 ALA CB C 21.37 0.05 1 308 82 82 ALA N N 126.95 0.05 1 309 83 83 ILE H H 9.00 0.02 1 310 83 83 ILE CA C 61.10 0.05 1 311 83 83 ILE N N 120.29 0.05 1 312 84 84 LEU H H 9.47 0.02 1 313 84 84 LEU CA C 53.22 0.05 1 314 84 84 LEU N N 128.85 0.05 1 315 85 85 LEU H H 8.85 0.02 1 316 85 85 LEU CA C 53.95 0.05 1 317 85 85 LEU CB C 46.72 0.05 1 318 85 85 LEU N N 129.79 0.05 1 319 86 86 PHE H H 8.68 0.02 1 320 86 86 PHE CA C 56.21 0.05 1 321 86 86 PHE N N 120.86 0.05 1 322 87 87 LYS H H 7.51 0.02 1 323 87 87 LYS CA C 53.80 0.05 1 324 87 87 LYS N N 122.88 0.05 1 325 88 88 SER H H 8.32 0.02 1 326 88 88 SER CA C 60.01 0.05 1 327 88 88 SER N N 118.31 0.05 1 328 89 89 GLY H H 8.92 0.02 1 329 89 89 GLY CA C 46.06 0.05 1 330 89 89 GLY N N 126.70 0.05 1 stop_ save_