data_16847 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignments for LC8 bound to a peptide corresponding to residues 233-249 of neuronal Nitric Oxide Synthase ; _BMRB_accession_number 16847 _BMRB_flat_file_name bmr16847.str _Entry_type new _Submission_date 2010-04-07 _Accession_date 2010-04-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'H, N Ca, Cb assignments for LC8 bound to a peptide corresponding to residues 233-249 of neuronal Nitric Oxide Synthase' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hall Justin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 88 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-04-30 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assignments for LC8 bound to a peptide corresponding to residues 233-249 of neuronal Nitric Oxide Synthase' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hall Justin . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name dimer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LC8 $LC8 nNOS $nNOS stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _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 'not present' _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 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_nNOS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common nNOS _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 17 _Mol_residue_sequence MKDMGIQVDRDLDGKSH loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ASP 4 MET 5 GLY 6 ILE 7 GLN 8 VAL 9 ASP 10 ARG 11 ASP 12 LEU 13 ASP 14 GLY 15 LYS 16 SER 17 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 DBJ BAA03895 "nitric oxide synthase [Homo sapiens]" 100.00 1434 100.00 100.00 1.93e-02 DBJ BAG57679 "unnamed protein product [Homo sapiens]" 100.00 1206 100.00 100.00 1.50e-02 GB AAA36376 "nitric oxide synthase [Homo sapiens]" 100.00 1433 100.00 100.00 1.98e-02 GB AAA62405 "neuronal nitric oxide synthase [Homo sapiens]" 100.00 1434 100.00 100.00 1.93e-02 GB AAB49040 "nitric oxide synthase [Homo sapiens]" 100.00 1433 100.00 100.00 1.91e-02 GB AAB60654 "neuronal nitric oxide synthase [Homo sapiens]" 100.00 1554 100.00 100.00 1.55e-02 GB AAI56400 "Nitric oxide synthase 1 (neuronal), partial [synthetic construct]" 100.00 1434 100.00 100.00 1.93e-02 REF NP_000611 "nitric oxide synthase, brain isoform 1 [Homo sapiens]" 100.00 1434 100.00 100.00 1.93e-02 REF NP_001191147 "nitric oxide synthase, brain isoform 2 [Homo sapiens]" 100.00 1468 100.00 100.00 1.91e-02 REF XP_001083352 "PREDICTED: nitric oxide synthase, brain [Macaca mulatta]" 100.00 1401 100.00 100.00 2.05e-02 REF XP_003832698 "PREDICTED: nitric oxide synthase, brain [Pan paniscus]" 100.00 1403 100.00 100.00 1.92e-02 REF XP_003907271 "PREDICTED: nitric oxide synthase, brain isoform X2 [Papio anubis]" 100.00 1434 100.00 100.00 2.02e-02 SP P29475 "RecName: Full=Nitric oxide synthase, brain; AltName: Full=Constitutive NOS; AltName: Full=NC-NOS; AltName: Full=NOS type I; Alt" 100.00 1434 100.00 100.00 1.93e-02 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 $nNOS Human 9606 Eukaryota Metazoa Homo sapiens 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 _Details $LC8 'recombinant technology' . . . . pET15Da . $nNOS 'obtained from a vendor' . . . . . 'The nNOS peptide was commercially synthesized from natural abundance isotopes. Sequence was confirmed by MSMS.' 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-98% 15N]' $nNOS 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium citrate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' 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 'chemical shift calculation' stop_ _Details 'Assignments performed using Burrow Owl.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AM _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _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 temperature 298 1 K pH 5.5 0.1 pH pressure 1 . atm 'ionic strength' 0.05 0.001 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'H referencing was performed using DSS signal set to 0ppm. N and C referencing relative to H from DSS' 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 H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal 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 HNCA' '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 1 1 MET H H 10.51 0.05 1 2 1 1 MET N N 119.438 0.05 1 3 2 2 SER H H 10.124 0.05 1 4 2 2 SER N N 119.307 0.05 1 5 3 3 ASP H H 8.565 0.05 1 6 3 3 ASP N N 122.436 0.05 1 7 4 4 ARG H H 8.326 0.05 1 8 4 4 ARG N N 121.219 0.05 1 9 5 5 LYS H H 8.041 0.05 1 10 5 5 LYS N N 121.31 0.05 1 11 6 6 ALA H H 7.693 0.05 1 12 6 6 ALA N N 110.408 0.05 1 13 7 7 VAL H H 9.027 0.05 1 14 7 7 VAL N N 123.977 0.05 1 15 8 8 ILE H H 9.104 0.05 1 16 8 8 ILE N N 128.689 0.05 1 17 9 9 LYS H H 7.9 0.05 1 18 9 9 LYS N N 128.723 0.05 1 19 10 10 ASN H H 7.98 0.05 1 20 10 10 ASN N N 115.847 0.05 1 21 11 11 ALA H H 8.919 0.05 1 22 11 11 ALA N N 126.244 0.05 1 23 12 12 ASP H H 8.818 0.05 1 24 12 12 ASP N N 125.875 0.05 1 25 13 13 MET H H 7.848 0.05 1 26 13 13 MET N N 119.315 0.05 1 27 14 14 SER H H 9.074 0.05 1 28 14 14 SER N N 121.277 0.05 1 29 15 15 GLU H H 9.13 0.05 1 30 15 15 GLU N N 122.908 0.05 1 31 16 16 GLU H H 8.759 0.05 1 32 16 16 GLU N N 118.099 0.05 1 33 17 17 MET H H 7.505 0.05 1 34 17 17 MET N N 120.541 0.05 1 35 18 18 GLN H H 8.361 0.05 1 36 18 18 GLN N N 119.336 0.05 1 37 19 19 GLN H H 7.904 0.05 1 38 19 19 GLN N N 117.084 0.05 1 39 20 20 ASP H H 8.618 0.05 1 40 20 20 ASP N N 119.225 0.05 1 41 21 21 ALA H H 8.654 0.05 1 42 21 21 ALA N N 124.138 0.05 1 43 22 22 VAL H H 7.768 0.05 1 44 22 22 VAL N N 117.639 0.05 1 45 23 23 ASP H H 8.842 0.05 1 46 23 23 ASP N N 123.142 0.05 1 47 24 24 CYS H H 9.011 0.05 1 48 24 24 CYS N N 120.555 0.05 1 49 25 25 ALA H H 8.491 0.05 1 50 25 25 ALA N N 121.189 0.05 1 51 26 26 THR H H 8.4 0.05 1 52 26 26 THR N N 115.226 0.05 1 53 27 27 GLN H H 7.738 0.05 1 54 27 27 GLN N N 119.067 0.05 1 55 28 28 ALA H H 8.396 0.05 1 56 28 28 ALA N N 122.771 0.05 1 57 29 29 LEU H H 8.241 0.05 1 58 29 29 LEU N N 116.909 0.05 1 59 30 30 GLU H H 7.277 0.05 1 60 30 30 GLU N N 115.506 0.05 1 61 31 31 LYS H H 7.166 0.05 1 62 31 31 LYS N N 117.778 0.05 1 63 32 32 TYR H H 8.146 0.05 1 64 32 32 TYR N N 117.001 0.05 1 65 33 33 ASN H H 8.409 0.05 1 66 33 33 ASN N N 114.349 0.05 1 67 34 34 ILE H H 7.632 0.05 1 68 34 34 ILE N N 114.538 0.05 1 69 35 35 GLU H H 9.865 0.05 1 70 35 35 GLU N N 123.004 0.05 1 71 36 36 LYS H H 8.883 0.05 1 72 36 36 LYS N N 117.577 0.05 1 73 37 37 ASP H H 6.898 0.05 1 74 37 37 ASP N N 119.113 0.05 1 75 38 38 ILE H H 7.538 0.05 1 76 38 38 ILE N N 122.746 0.05 1 77 39 39 ALA H H 8.189 0.05 1 78 39 39 ALA N N 119.513 0.05 1 79 40 40 ALA H H 7.947 0.05 1 80 40 40 ALA N N 119.415 0.05 1 81 41 41 TYR H H 7.43 0.05 1 82 41 41 TYR N N 117.583 0.05 1 83 42 42 ILE H H 7.668 0.05 1 84 42 42 ILE N N 117.471 0.05 1 85 43 43 LYS H H 8.237 0.05 1 86 43 43 LYS N N 118.921 0.05 1 87 44 44 LYS H H 8.402 0.05 1 88 44 44 LYS N N 117.672 0.05 1 89 45 45 GLU H H 7.719 0.05 1 90 45 45 GLU N N 119.849 0.05 1 91 46 46 PHE H H 8.396 0.05 1 92 46 46 PHE N N 122.777 0.05 1 93 47 47 ASP H H 8.44 0.05 1 94 47 47 ASP N N 119.693 0.05 1 95 48 48 LYS H H 7.217 0.05 1 96 48 48 LYS N N 117.488 0.05 1 97 49 49 LYS H H 8.006 0.05 1 98 49 49 LYS N N 117.432 0.05 1 99 50 50 TYR H H 8.364 0.05 1 100 50 50 TYR N N 115.207 0.05 1 101 51 51 ASN H H 6.945 0.05 1 102 51 51 ASN N N 112.969 0.05 1 103 52 52 PRO N N 119.262 0.05 1 104 53 53 THR H H 8.083 0.05 1 105 53 53 THR N N 121.601 0.05 1 106 54 54 TRP H H 9.434 0.05 1 107 54 54 TRP N N 127.232 0.05 1 108 55 55 HIS H H 8.432 0.05 1 109 55 55 HIS N N 117.758 0.05 1 110 56 56 CYS H H 8.81 0.05 1 111 56 56 CYS N N 119.585 0.05 1 112 57 57 ILE H H 9.384 0.05 1 113 57 57 ILE N N 131.756 0.05 1 114 58 58 VAL H H 8.544 0.05 1 115 58 58 VAL N N 123.732 0.05 1 116 59 59 GLY H H 9.803 0.05 1 117 59 59 GLY N N 111.757 0.05 1 118 60 60 ARG H H 9.198 0.05 1 119 60 60 ARG N N 120.469 0.05 1 120 61 61 ASN H H 8.962 0.05 1 121 61 61 ASN N N 116.945 0.05 1 122 62 62 PHE H H 8.321 0.05 1 123 62 62 PHE N N 120.293 0.05 1 124 63 63 GLY H H 9.509 0.05 1 125 63 63 GLY N N 106.641 0.05 1 126 64 64 SER H H 8.717 0.05 1 127 64 64 SER N N 113.484 0.05 1 128 65 65 TYR H H 9.074 0.05 1 129 65 65 TYR N N 117.035 0.05 1 130 66 66 VAL H H 7.871 0.05 1 131 66 66 VAL N N 119.758 0.05 1 132 67 67 THR H H 9.391 0.05 1 133 67 67 THR N N 126.567 0.05 1 134 68 68 HIS H H 8.319 0.05 1 135 68 68 HIS N N 121.82 0.05 1 136 69 69 GLU H H 7.721 0.05 1 137 69 69 GLU N N 121.608 0.05 1 138 70 70 THR H H 7.94 0.05 1 139 70 70 THR N N 115.184 0.05 1 140 71 71 ARG H H 9.148 0.05 1 141 71 71 ARG N N 128.952 0.05 1 142 72 72 HIS H H 8.41 0.05 1 143 72 72 HIS N N 122.302 0.05 1 144 73 73 PHE H H 8.69 0.05 1 145 73 73 PHE N N 120.28 0.05 1 146 74 74 ILE H H 8.75 0.05 1 147 74 74 ILE N N 128.737 0.05 1 148 75 75 TYR H H 8.381 0.05 1 149 75 75 TYR N N 127.146 0.05 1 150 76 76 PHE H H 9.361 0.05 1 151 76 76 PHE N N 125.133 0.05 1 152 77 77 TYR H H 9.16 0.05 1 153 77 77 TYR N N 119.103 0.05 1 154 78 78 LEU H H 8.735 0.05 1 155 78 78 LEU N N 122.34 0.05 1 156 79 79 GLY H H 9.141 0.05 1 157 79 79 GLY N N 114.129 0.05 1 158 80 80 GLN H H 8.841 0.05 1 159 80 80 GLN N N 126.116 0.05 1 160 81 81 VAL H H 7.752 0.05 1 161 81 81 VAL N N 118.152 0.05 1 162 82 82 ALA H H 8.541 0.05 1 163 82 82 ALA N N 126.229 0.05 1 164 83 83 ILE H H 8.732 0.05 1 165 83 83 ILE N N 121.188 0.05 1 166 84 84 LEU H H 9.382 0.05 1 167 84 84 LEU N N 128.467 0.05 1 168 85 85 LEU H H 8.844 0.05 1 169 85 85 LEU N N 129.949 0.05 1 170 86 86 PHE H H 8.422 0.05 1 171 86 86 PHE N N 120.407 0.05 1 172 87 87 LYS H H 7.692 0.05 1 173 87 87 LYS N N 121.019 0.05 1 174 88 88 SER H H 8.676 0.05 1 175 88 88 SER N N 122.808 0.05 1 176 89 89 GLY H H 8.533 0.05 1 177 89 89 GLY N N 122.817 0.05 1 stop_ save_