data_17692 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; backbone resonance assignment of the DMSO-d6 denatured DLC8 ; _BMRB_accession_number 17692 _BMRB_flat_file_name bmr17692.str _Entry_type original _Submission_date 2011-06-07 _Accession_date 2011-06-07 _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 Chakraborty Swagata . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 180 "13C chemical shifts" 260 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-17 update BMRB 'udpate entry citation' 2011-12-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Residual structure and dynamics in DMSO-d6 denatured Dynein Light Chain protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22079190 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chakraborty Swagata . . 2 Mohan 'P. M Krishna' . . 3 Hosur Ramakrishna V. . stop_ _Journal_abbreviation Biochimie _Journal_name_full Biochimie _Journal_volume 94 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 231 _Page_last 241 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Dynein Light Chain 8' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DLC8 $DLC8 stop_ _System_molecular_weight . _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DLC8 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DLC8 _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 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 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 $DLC8 '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 $DLC8 'recombinant technology' . Escherichia coli . PET14B 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $DLC8 . mM 1.2 1.5 '[U-100% 13C; U-100% 15N]' TRIS 20 mM . . 'natural abundance' 'sodium chloride' 200 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' DMSO 99.96 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_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_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _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' 0.2 . M pH 2.5 . pH pressure 1 . atm temperature 318 . 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 HNCACB' '3D HNCO' '3D 1H-15N TOCSY' '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 DLC8 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET H H 8.208 0.02 1 2 1 1 MET HA H 4.346 0.02 1 3 1 1 MET C C 171.372 0.3 1 4 1 1 MET CA C 52.14 0.3 1 5 1 1 MET CB C 31.726 0.3 1 6 1 1 MET N N 118.235 0.3 1 7 2 2 SER H H 8.018 0.02 1 8 2 2 SER HA H 4.333 0.02 1 9 2 2 SER C C 170.582 0.3 1 10 2 2 SER CA C 55.003 0.3 1 11 2 2 SER CB C 61.951 0.3 1 12 2 2 SER N N 113.742 0.3 1 13 3 3 ASP H H 8.378 0.02 1 14 3 3 ASP HA H 4.578 0.02 1 15 3 3 ASP C C 171.022 0.3 1 16 3 3 ASP CA C 49.875 0.3 1 17 3 3 ASP CB C 35.875 0.3 1 18 3 3 ASP N N 119.454 0.3 1 19 4 4 ARG H H 7.845 0.02 1 20 4 4 ARG HA H 4.213 0.02 1 21 4 4 ARG C C 171.591 0.3 1 22 4 4 ARG CA C 52.671 0.3 1 23 4 4 ARG CB C 28.693 0.3 1 24 4 4 ARG N N 117.098 0.3 1 25 5 5 LYS H H 7.959 0.02 1 26 5 5 LYS HA H 4.191 0.02 1 27 5 5 LYS C C 171.502 0.3 1 28 5 5 LYS CA C 52.673 0.3 1 29 5 5 LYS CB C 30.995 0.3 1 30 5 5 LYS N N 117.98 0.3 1 31 6 6 ALA H H 8.025 0.02 1 32 6 6 ALA HA H 4.265 0.02 1 33 6 6 ALA C C 172.64 0.3 1 34 6 6 ALA CA C 48.626 0.3 1 35 6 6 ALA CB C 17.711 0.3 1 36 6 6 ALA N N 121.122 0.3 1 37 7 7 VAL H H 7.742 0.02 1 38 7 7 VAL HA H 4.114 0.02 1 39 7 7 VAL C C 171.275 0.3 1 40 7 7 VAL CA C 58.075 0.3 1 41 7 7 VAL CB C 30.285 0.3 1 42 7 7 VAL N N 114.287 0.3 1 43 8 8 ILE H H 7.817 0.02 1 44 8 8 ILE HA H 4.122 0.02 1 45 8 8 ILE C C 171.372 0.3 1 46 8 8 ILE CA C 57.392 0.3 1 47 8 8 ILE CB C 36.045 0.3 1 48 8 8 ILE N N 119.106 0.3 1 49 9 9 LYS H H 7.992 0.02 1 50 9 9 LYS HA H 4.196 0.02 1 51 9 9 LYS C C 171.632 0.3 1 52 9 9 LYS CA C 52.713 0.3 1 53 9 9 LYS CB C 31.019 0.3 1 54 9 9 LYS N N 120.996 0.3 1 55 10 10 ASN H H 8.041 0.02 1 56 10 10 ASN HA H 4.514 0.02 1 57 10 10 ASN C C 171.322 0.3 1 58 10 10 ASN CA C 49.937 0.3 1 59 10 10 ASN CB C 37.029 0.3 1 60 10 10 ASN N N 117.3 0.3 1 61 11 11 ALA H H 8.078 0.02 1 62 11 11 ALA HA H 4.169 0.02 1 63 11 11 ALA C C 172.901 0.3 1 64 11 11 ALA CA C 49.144 0.3 1 65 11 11 ALA CB C 17.446 0.3 1 66 11 11 ALA N N 121.005 0.3 1 67 12 12 ASP H H 8.233 0.02 1 68 12 12 ASP HA H 4.513 0.02 1 69 12 12 ASP C C 170.999 0.3 1 70 12 12 ASP CA C 50.085 0.3 1 71 12 12 ASP CB C 35.669 0.3 1 72 12 12 ASP N N 115.368 0.3 1 73 13 13 MET H H 7.721 0.02 1 74 13 13 MET HA H 4.345 0.02 1 75 13 13 MET C C 171.58 0.3 1 76 13 13 MET CA C 52.348 0.3 1 77 13 13 MET CB C 31.488 0.3 1 78 13 13 MET N N 116.196 0.3 1 79 14 14 SER H H 7.948 0.02 1 80 14 14 SER HA H 4.287 0.02 1 81 14 14 SER C C 170.688 0.3 1 82 14 14 SER CA C 55.735 0.3 1 83 14 14 SER CB C 61.593 0.3 1 84 14 14 SER N N 113.948 0.3 1 85 15 15 GLU H H 8.022 0.02 1 86 15 15 GLU HA H 4.21 0.02 1 87 15 15 GLU C C 171.795 0.3 1 88 15 15 GLU CA C 52.465 0.3 1 89 15 15 GLU CB C 26.928 0.3 1 90 15 15 GLU N N 118.686 0.3 1 91 16 16 GLU H H 7.945 0.02 1 92 16 16 GLU HA H 4.161 0.02 1 93 16 16 GLU C C 171.73 0.3 1 94 16 16 GLU CA C 52.388 0.3 1 95 16 16 GLU CB C 26.524 0.3 1 96 16 16 GLU N N 117.342 0.3 1 97 17 17 MET H H 8.184 0.02 1 98 17 17 MET HA H 4.302 0.02 1 99 17 17 MET C C 171.576 0.3 1 100 17 17 MET CA C 52.388 0.3 1 101 17 17 MET CB C 31.532 0.3 1 102 17 17 MET N N 117.379 0.3 1 103 18 18 GLN H H 8.027 0.02 1 104 18 18 GLN HA H 4.181 0.02 1 105 18 18 GLN C C 171.632 0.3 1 106 18 18 GLN CA C 52.752 0.3 1 107 18 18 GLN CB C 27.53 0.3 1 108 18 18 GLN N N 118.26 0.3 1 109 19 19 GLN H H 7.999 0.02 1 110 19 19 GLN HA H 4.15 0.02 1 111 19 19 GLN C C 171.592 0.3 1 112 19 19 GLN CA C 52.638 0.3 1 113 19 19 GLN CB C 27.745 0.3 1 114 19 19 GLN N N 117.804 0.3 1 115 20 20 ASP H H 8.188 0.02 1 116 20 20 ASP HA H 4.549 0.02 1 117 20 20 ASP C C 170.684 0.3 1 118 20 20 ASP CA C 49.805 0.3 1 119 20 20 ASP CB C 36.044 0.3 1 120 20 20 ASP N N 117.472 0.3 1 121 21 21 ALA H H 7.823 0.02 1 122 21 21 ALA HA H 4.306 0.02 1 123 21 21 ALA C C 172.575 0.3 1 124 21 21 ALA CA C 48.656 0.3 1 125 21 21 ALA CB C 17.656 0.3 1 126 21 21 ALA N N 120.434 0.3 1 127 22 22 VAL H H 7.741 0.02 1 128 22 22 VAL HA H 4.114 0.02 1 129 22 22 VAL C C 171.38 0.3 1 130 22 22 VAL CA C 58.11 0.3 1 131 22 22 VAL CB C 30.43 0.3 1 132 22 22 VAL N N 113.741 0.3 1 133 23 23 ASP H H 8.268 0.02 1 134 23 23 ASP HA H 4.61 0.02 1 135 23 23 ASP C C 171.608 0.3 1 136 23 23 ASP CA C 49.866 0.3 1 137 23 23 ASP CB C 35.953 0.3 1 138 23 23 ASP N N 119.506 0.3 1 139 24 24 CYS H H 7.976 0.02 1 140 24 24 CYS HA H 4.386 0.02 1 141 24 24 CYS C C 169.526 0.3 1 142 24 24 CYS CA C 55.653 0.3 1 143 24 24 CYS CB C 25.792 0.3 1 144 24 24 CYS N N 115.944 0.3 1 145 25 25 ALA H H 8.231 0.02 1 146 25 25 ALA HA H 4.305 0.02 1 147 25 25 ALA C C 173.031 0.3 1 148 25 25 ALA CA C 49.674 0.3 1 149 25 25 ALA CB C 16.989 0.3 1 150 25 25 ALA N N 122.829 0.3 1 151 26 26 THR H H 7.883 0.02 1 152 26 26 THR HA H 4.324 0.02 1 153 26 26 THR C C 170.949 0.3 1 154 26 26 THR CA C 59.352 0.3 1 155 26 26 THR CB C 66.394 0.3 1 156 26 26 THR N N 111.293 0.3 1 157 27 27 GLN H H 7.961 0.02 1 158 27 27 GLN HA H 4.09 0.02 1 159 27 27 GLN C C 171.827 0.3 1 160 27 27 GLN CA C 52.968 0.3 1 161 27 27 GLN CB C 27.611 0.3 1 162 27 27 GLN N N 118.923 0.3 1 163 28 28 ALA H H 8.014 0.02 1 164 28 28 ALA HA H 4.264 0.02 1 165 28 28 ALA C C 173.042 0.3 1 166 28 28 ALA CA C 49.361 0.3 1 167 28 28 ALA CB C 17.249 0.3 1 168 28 28 ALA N N 120.987 0.3 1 169 29 29 LEU H H 7.887 0.02 1 170 29 29 LEU HA H 4.088 0.02 1 171 29 29 LEU C C 172.984 0.3 1 172 29 29 LEU CA C 51.911 0.3 1 173 29 29 LEU CB C 40.357 0.3 1 174 29 29 LEU N N 117.306 0.3 1 175 30 30 GLU H H 7.911 0.02 1 176 30 30 GLU HA H 4.158 0.02 1 177 30 30 GLU C C 171.836 0.3 1 178 30 30 GLU CA C 52.759 0.3 1 179 30 30 GLU CB C 26.734 0.3 1 180 30 30 GLU N N 116.934 0.3 1 181 31 31 LYS H H 7.791 0.02 1 182 31 31 LYS HA H 4.158 0.02 1 183 31 31 LYS C C 171.673 0.3 1 184 31 31 LYS CA C 52.643 0.3 1 185 31 31 LYS CB C 31 0.3 1 186 31 31 LYS N N 117.73 0.3 1 187 32 32 TYR H H 7.893 0.02 1 188 32 32 TYR HA H 4.343 0.02 1 189 32 32 TYR C C 171.538 0.3 1 190 32 32 TYR CA C 54.559 0.3 1 191 32 32 TYR CB C 36.37 0.3 1 192 32 32 TYR N N 116.847 0.3 1 193 33 33 ASN H H 8.193 0.02 1 194 33 33 ASN HA H 4.584 0.02 1 195 33 33 ASN C C 171.817 0.3 1 196 33 33 ASN CA C 50.645 0.3 1 197 33 33 ASN CB C 36.532 0.3 1 198 33 33 ASN N N 117.68 0.3 1 199 34 34 ILE H H 7.876 0.02 1 200 34 34 ILE HA H 4.122 0.02 1 201 34 34 ILE C C 172.031 0.3 1 202 34 34 ILE CA C 58.033 0.3 1 203 34 34 ILE CB C 36.532 0.3 1 204 34 34 ILE N N 116.764 0.3 1 205 35 35 GLU H H 8.089 0.02 1 206 35 35 GLU HA H 4.08 0.02 1 207 35 35 GLU C C 172.022 0.3 1 208 35 35 GLU CA C 53.374 0.3 1 209 35 35 GLU CB C 26.377 0.3 1 210 35 35 GLU N N 119.59 0.3 1 211 36 36 LYS H H 7.781 0.02 1 212 36 36 LYS HA H 4.144 0.02 1 213 36 36 LYS C C 171.493 0.3 1 214 36 36 LYS CA C 52.797 0.3 1 215 36 36 LYS CB C 28.46 0.3 1 216 36 36 LYS N N 117.28 0.3 1 217 37 37 ASP H H 8.182 0.02 1 218 37 37 ASP HA H 4.494 0.02 1 219 37 37 ASP C C 171.213 0.3 1 220 37 37 ASP CA C 50.162 0.3 1 221 37 37 ASP CB C 35.523 0.3 1 222 37 37 ASP N N 117.698 0.3 1 223 38 38 ILE H H 7.602 0.02 1 224 38 38 ILE HA H 4.099 0.02 1 225 38 38 ILE C C 171.427 0.3 1 226 38 38 ILE CA C 57.833 0.3 1 227 38 38 ILE CB C 36.695 0.3 1 228 38 38 ILE N N 115.722 0.3 1 229 39 39 ALA H H 8.046 0.02 1 230 39 39 ALA HA H 4.138 0.02 1 231 39 39 ALA C C 172.674 0.3 1 232 39 39 ALA CA C 49.144 0.3 1 233 39 39 ALA CB C 17.256 0.3 1 234 39 39 ALA N N 123.131 0.3 1 235 40 40 ALA H H 7.841 0.02 1 236 40 40 ALA HA H 4.203 0.02 1 237 40 40 ALA C C 172.836 0.3 1 238 40 40 ALA CA C 49.26 0.3 1 239 40 40 ALA CB C 17.635 0.3 1 240 40 40 ALA N N 118.888 0.3 1 241 41 41 TYR H H 7.867 0.02 1 242 41 41 TYR HA H 4.451 0.02 1 243 41 41 TYR C C 171.637 0.3 1 244 41 41 TYR CA C 54.975 0.3 1 245 41 41 TYR CB C 36.389 0.3 1 246 41 41 TYR N N 115.547 0.3 1 247 42 42 ILE H H 7.781 0.02 1 248 42 42 ILE HA H 4.148 0.02 1 249 42 42 ILE C C 170.86 0.3 1 250 42 42 ILE CA C 57.606 0.3 1 251 42 42 ILE CB C 37.002 0.3 1 252 42 42 ILE N N 116.342 0.3 1 253 43 43 LYS H H 8.034 0.02 1 254 43 43 LYS HA H 4.07 0.02 1 255 43 43 LYS C C 172.063 0.3 1 256 43 43 LYS CA C 53.057 0.3 1 257 43 43 LYS CB C 30.649 0.3 1 258 43 43 LYS N N 121.003 0.3 1 259 44 44 LYS H H 7.904 0.02 1 260 44 44 LYS HA H 4.141 0.02 1 261 44 44 LYS C C 171.957 0.3 1 262 44 44 LYS CA C 52.743 0.3 1 263 44 44 LYS CB C 30.876 0.3 1 264 44 44 LYS N N 118.039 0.3 1 265 45 45 GLU H H 7.929 0.02 1 266 45 45 GLU HA H 4.119 0.02 1 267 45 45 GLU C C 171.122 0.3 1 268 45 45 GLU CA C 52.603 0.3 1 269 45 45 GLU CB C 27.119 0.3 1 270 45 45 GLU N N 117.137 0.3 1 271 46 46 PHE H H 7.886 0.02 1 272 46 46 PHE HA H 4.49 0.02 1 273 46 46 PHE C C 171.483 0.3 1 274 46 46 PHE CA C 53.994 0.3 1 275 46 46 PHE CB C 37.597 0.3 1 276 46 46 PHE N N 115.968 0.3 1 277 47 47 ASP H H 8.43 0.02 1 278 47 47 ASP HA H 4.517 0.02 1 279 47 47 ASP C C 171.115 0.3 1 280 47 47 ASP CA C 49.836 0.3 1 281 47 47 ASP CB C 35.963 0.3 1 282 47 47 ASP N N 117.73 0.3 1 283 48 48 LYS H H 7.701 0.02 1 284 48 48 LYS HA H 4.155 0.02 1 285 48 48 LYS C C 171.762 0.3 1 286 48 48 LYS CA C 52.68 0.3 1 287 48 48 LYS CB C 30.934 0.3 1 288 48 48 LYS N N 117.067 0.3 1 289 49 49 LYS H H 7.952 0.02 1 290 49 49 LYS HA H 4.084 0.02 1 291 49 49 LYS C C 171.315 0.3 1 292 49 49 LYS CA C 52.93 0.3 1 293 49 49 LYS CB C 30.876 0.3 1 294 49 49 LYS N N 117.628 0.3 1 295 50 50 TYR H H 7.711 0.02 1 296 50 50 TYR HA H 4.403 0.02 1 297 50 50 TYR C C 170.869 0.3 1 298 50 50 TYR CA C 54.052 0.3 1 299 50 50 TYR CB C 36.695 0.3 1 300 50 50 TYR N N 116.064 0.3 1 301 51 51 ASN H H 8.273 0.02 1 302 51 51 ASN HA H 4.62 0.02 1 303 51 51 ASN C C 171.795 0.3 1 304 51 51 ASN CA C 47.786 0.3 1 305 51 51 ASN CB C 37.035 0.3 1 306 51 51 ASN N N 118.86 0.3 1 307 53 53 THR H H 7.81 0.02 1 308 53 53 THR HA H 4.122 0.02 1 309 53 53 THR C C 170.535 0.3 1 310 53 53 THR CA C 59.138 0.3 1 311 53 53 THR CB C 66.547 0.3 1 312 53 53 THR N N 110.8 0.3 1 313 54 54 TRP H H 7.821 0.02 1 314 54 54 TRP HA H 4.488 0.02 1 315 54 54 TRP C C 171.925 0.3 1 316 54 54 TRP CA C 53.911 0.3 1 317 54 54 TRP CB C 26.96 0.3 1 318 54 54 TRP N N 119.803 0.3 1 319 55 55 HIS H H 8.19 0.02 1 320 55 55 HIS HA H 4.605 0.02 1 321 55 55 HIS C C 170.242 0.3 1 322 55 55 HIS CA C 51.992 0.3 1 323 55 55 HIS CB C 26.96 0.3 1 324 55 55 HIS N N 115.654 0.3 1 325 56 56 CYS H H 8.199 0.02 1 326 56 56 CYS HA H 4.441 0.02 1 327 56 56 CYS C C 170.209 0.3 1 328 56 56 CYS CA C 55.64 0.3 1 329 56 56 CYS CB C 26.095 0.3 1 330 56 56 CYS N N 117.035 0.3 1 331 57 57 ILE H H 8.159 0.02 1 332 57 57 ILE HA H 4.194 0.02 1 333 57 57 ILE C C 171.185 0.3 1 334 57 57 ILE CA C 57.841 0.3 1 335 57 57 ILE CB C 36.288 0.3 1 336 57 57 ILE N N 118.962 0.3 1 337 58 58 VAL H H 7.796 0.02 1 338 58 58 VAL HA H 4.18 0.02 1 339 58 58 VAL C C 171.535 0.3 1 340 58 58 VAL CA C 58.135 0.3 1 341 58 58 VAL CB C 30.206 0.3 1 342 58 58 VAL N N 118.103 0.3 1 343 59 59 GLY H H 8.145 0.02 1 344 59 59 GLY HA2 H 3.837 0.02 2 345 59 59 GLY HA3 H 3.675 0.02 2 346 59 59 GLY C C 169.03 0.3 1 347 59 59 GLY CA C 41.984 0.3 1 348 59 59 GLY N N 108.542 0.3 1 349 60 60 ARG H H 7.979 0.02 1 350 60 60 ARG HA H 4.259 0.02 1 351 60 60 ARG C C 171.416 0.3 1 352 60 60 ARG CA C 52.177 0.3 1 353 60 60 ARG CB C 29.144 0.3 1 354 60 60 ARG N N 117.525 0.3 1 355 61 61 ASN H H 8.191 0.02 1 356 61 61 ASN HA H 4.613 0.02 1 357 61 61 ASN C C 171.135 0.3 1 358 61 61 ASN CA C 49.903 0.3 1 359 61 61 ASN CB C 37.183 0.3 1 360 61 61 ASN N N 117.887 0.3 1 361 62 62 PHE H H 8.079 0.02 1 362 62 62 PHE HA H 4.431 0.02 1 363 62 62 PHE C C 171.6 0.3 1 364 62 62 PHE CA C 54.269 0.3 1 365 62 62 PHE CB C 37.102 0.3 1 366 62 62 PHE N N 117.208 0.3 1 367 63 63 GLY H H 8.303 0.02 1 368 63 63 GLY HA2 H 3.73 0.02 1 369 63 63 GLY HA3 H 3.73 0.02 1 370 63 63 GLY C C 169.124 0.3 1 371 63 63 GLY CA C 42.391 0.3 1 372 63 63 GLY N N 106.167 0.3 1 373 64 64 SER H H 7.886 0.02 1 374 64 64 SER HA H 4.303 0.02 1 375 64 64 SER C C 170.261 0.3 1 376 64 64 SER CA C 55.183 0.3 1 377 64 64 SER CB C 61.924 0.3 1 378 64 64 SER N N 113.405 0.3 1 379 65 65 TYR H H 8.071 0.02 1 380 65 65 TYR HA H 4.454 0.02 1 381 65 65 TYR C C 171.462 0.3 1 382 65 65 TYR CA C 54.685 0.3 1 383 65 65 TYR CB C 36.276 0.3 1 384 65 65 TYR N N 118.9 0.3 1 385 66 66 VAL H H 7.83 0.02 1 386 66 66 VAL HA H 4.224 0.02 1 387 66 66 VAL C C 171.473 0.3 1 388 66 66 VAL CA C 58.056 0.3 1 389 66 66 VAL CB C 30.209 0.3 1 390 66 66 VAL N N 114.78 0.3 1 391 67 67 THR H H 7.922 0.02 1 392 67 67 THR HA H 4.216 0.02 1 393 67 67 THR C C 170.293 0.3 1 394 67 67 THR CA C 58.573 0.3 1 395 67 67 THR CB C 66.648 0.3 1 396 67 67 THR N N 114.554 0.3 1 397 68 68 HIS H H 8.112 0.02 1 398 68 68 HIS HA H 4.647 0.02 1 399 68 68 HIS C C 170.096 0.3 1 400 68 68 HIS CA C 51.719 0.3 1 401 68 68 HIS CB C 26.754 0.3 1 402 68 68 HIS N N 117.168 0.3 1 403 69 69 GLU H H 8.319 0.02 1 404 69 69 GLU HA H 4.33 0.02 1 405 69 69 GLU C C 171.795 0.3 1 406 69 69 GLU CA C 52.399 0.3 1 407 69 69 GLU CB C 27.175 0.3 1 408 69 69 GLU N N 118.773 0.3 1 409 70 70 THR H H 7.939 0.02 1 410 70 70 THR HA H 4.216 0.02 1 411 70 70 THR C C 170.364 0.3 1 412 70 70 THR CA C 58.324 0.3 1 413 70 70 THR CB C 66.865 0.3 1 414 70 70 THR N N 113.024 0.3 1 415 71 71 ARG H H 8.113 0.02 1 416 71 71 ARG HA H 4.248 0.02 1 417 71 71 ARG C C 171.638 0.3 1 418 71 71 ARG CA C 52.321 0.3 1 419 71 71 ARG CB C 28.72 0.3 1 420 71 71 ARG N N 120.048 0.3 1 421 72 72 HIS H H 8.228 0.02 1 422 72 72 HIS HA H 4.577 0.02 1 423 72 72 HIS C C 170.041 0.3 1 424 72 72 HIS CA C 51.908 0.3 1 425 72 72 HIS CB C 27.085 0.3 1 426 72 72 HIS N N 116.474 0.3 1 427 73 73 PHE H H 8.208 0.02 1 428 73 73 PHE HA H 4.519 0.02 1 429 73 73 PHE C C 171.12 0.3 1 430 73 73 PHE CA C 54.232 0.3 1 431 73 73 PHE CB C 37.151 0.3 1 432 73 73 PHE N N 118.119 0.3 1 433 74 74 ILE H H 8.094 0.02 1 434 74 74 ILE HA H 4.129 0.02 1 435 74 74 ILE C C 170.86 0.3 1 436 74 74 ILE CA C 57.457 0.3 1 437 74 74 ILE CB C 36.875 0.3 1 438 74 74 ILE N N 117.183 0.3 1 439 75 75 TYR H H 7.907 0.02 1 440 75 75 TYR HA H 4.444 0.02 1 441 75 75 TYR C C 171.164 0.3 1 442 75 75 TYR CA C 54.131 0.3 1 443 75 75 TYR CB C 36.767 0.3 1 444 75 75 TYR N N 119.783 0.3 1 445 76 76 PHE H H 8.008 0.02 1 446 76 76 PHE HA H 4.418 0.02 1 447 76 76 PHE C C 171.103 0.3 1 448 76 76 PHE CA C 53.782 0.3 1 449 76 76 PHE CB C 38.06 0.3 1 450 76 76 PHE N N 116.814 0.3 1 451 77 77 TYR H H 8.078 0.02 1 452 77 77 TYR HA H 4.462 0.02 1 453 77 77 TYR C C 171.567 0.3 1 454 77 77 TYR CA C 54.281 0.3 1 455 77 77 TYR CB C 36.517 0.3 1 456 77 77 TYR N N 117.488 0.3 1 457 78 78 LEU H H 8.08 0.02 1 458 78 78 LEU HA H 4.207 0.02 1 459 78 78 LEU C C 172.669 0.3 1 460 78 78 LEU CA C 51.702 0.3 1 461 78 78 LEU CB C 40.703 0.3 1 462 78 78 LEU N N 119.801 0.3 1 463 79 79 GLY H H 7.999 0.02 1 464 79 79 GLY HA2 H 3.701 0.02 1 465 79 79 GLY HA3 H 3.701 0.02 1 466 79 79 GLY C C 169.226 0.3 1 467 79 79 GLY CA C 42.309 0.3 1 468 79 79 GLY N N 105.876 0.3 1 469 80 80 GLN H H 7.945 0.02 1 470 80 80 GLN HA H 4.207 0.02 1 471 80 80 GLN C C 171.73 0.3 1 472 80 80 GLN CA C 52.887 0.3 1 473 80 80 GLN CB C 27.87 0.3 1 474 80 80 GLN N N 117.312 0.3 1 475 81 81 VAL H H 7.793 0.02 1 476 81 81 VAL HA H 4.052 0.02 1 477 81 81 VAL C C 171.112 0.3 1 478 81 81 VAL CA C 58.032 0.3 1 479 81 81 VAL CB C 30.169 0.3 1 480 81 81 VAL N N 115.03 0.3 1 481 82 82 ALA H H 8.029 0.02 1 482 82 82 ALA HA H 4.236 0.02 1 483 82 82 ALA C C 172.575 0.3 1 484 82 82 ALA CA C 48.656 0.3 1 485 82 82 ALA CB C 17.633 0.3 1 486 82 82 ALA N N 123.05 0.3 1 487 83 83 ILE H H 7.72 0.02 1 488 83 83 ILE HA H 4.063 0.02 1 489 83 83 ILE C C 171.144 0.3 1 490 83 83 ILE CA C 57.396 0.3 1 491 83 83 ILE CB C 36.422 0.3 1 492 83 83 ILE N N 115.322 0.3 1 493 84 84 LEU H H 7.865 0.02 1 494 84 84 LEU HA H 4.236 0.02 1 495 84 84 LEU C C 172.12 0.3 1 496 84 84 LEU CA C 51.27 0.3 1 497 84 84 LEU CB C 40.485 0.3 1 498 84 84 LEU N N 121.272 0.3 1 499 85 85 LEU H H 7.786 0.02 1 500 85 85 LEU HA H 4.177 0.02 1 501 85 85 LEU C C 172.164 0.3 1 502 85 85 LEU CA C 51.31 0.3 1 503 85 85 LEU CB C 40.719 0.3 1 504 85 85 LEU N N 118.531 0.3 1 505 86 86 PHE H H 7.835 0.02 1 506 86 86 PHE HA H 4.507 0.02 1 507 86 86 PHE C C 171.178 0.3 1 508 86 86 PHE CA C 53.887 0.3 1 509 86 86 PHE CB C 37.207 0.3 1 510 86 86 PHE N N 116.345 0.3 1 511 87 87 LYS H H 8.021 0.02 1 512 87 87 LYS HA H 4.179 0.02 1 513 87 87 LYS C C 171.567 0.3 1 514 87 87 LYS CA C 52.703 0.3 1 515 87 87 LYS CB C 31.185 0.3 1 516 87 87 LYS N N 117.807 0.3 1 517 88 88 SER H H 7.951 0.02 1 518 88 88 SER HA H 4.308 0.02 1 519 88 88 SER C C 170.549 0.3 1 520 88 88 SER CA C 55.274 0.3 1 521 88 88 SER CB C 61.762 0.3 1 522 88 88 SER N N 113.659 0.3 1 523 89 89 GLY H H 8.026 0.02 1 524 89 89 GLY HA2 H 3.761 0.02 1 525 89 89 GLY HA3 H 3.761 0.02 1 526 89 89 GLY C C 171.196 0.3 1 527 89 89 GLY CA C 40.95 0.3 1 528 89 89 GLY N N 106.422 0.3 1 stop_ save_