data_16843 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Seeing the Invisible: Structures of Excited Protein States by Relaxation Dispersion NMR ; _BMRB_accession_number 16843 _BMRB_flat_file_name bmr16843.str _Entry_type original _Submission_date 2010-04-06 _Accession_date 2010-04-06 _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 Vallurupalli Pramodh . . 2 Hansen Flemming D. . 3 Kay Lewis E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 56 "13C chemical shifts" 99 "15N chemical shifts" 57 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-16 update BMRB 'update entry citation' 2012-08-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Probing the Free Energy Landscape of the Fast-Folding gpW Protein by Relaxation Dispersion NMR.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24805164 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sanchez-Medina Celia . . 2 Sekhar Ashok . . 3 Vallurupalli Pramodh . . 4 Cerminara Michele . . 5 Munoz Victor . . 6 Kay Lewis E. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _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 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Abp1p _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Abp1p $Abp1p Ark1p $Ark1p 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_Abp1p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Abp1p _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; GAMAPWATAEYDYDAAEDNE LTFVENDKIINIEFVDDDWW LGELEKDGSKGLFPSNYVSL GN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 ALA 3 0 MET 4 1 ALA 5 2 PRO 6 3 TRP 7 4 ALA 8 5 THR 9 6 ALA 10 7 GLU 11 8 TYR 12 9 ASP 13 10 TYR 14 11 ASP 15 12 ALA 16 13 ALA 17 14 GLU 18 15 ASP 19 16 ASN 20 17 GLU 21 18 LEU 22 19 THR 23 20 PHE 24 21 VAL 25 22 GLU 26 23 ASN 27 24 ASP 28 25 LYS 29 26 ILE 30 27 ILE 31 28 ASN 32 29 ILE 33 30 GLU 34 31 PHE 35 32 VAL 36 33 ASP 37 34 ASP 38 35 ASP 39 36 TRP 40 37 TRP 41 38 LEU 42 39 GLY 43 40 GLU 44 41 LEU 45 42 GLU 46 43 LYS 47 44 ASP 48 45 GLY 49 46 SER 50 47 LYS 51 48 GLY 52 49 LEU 53 50 PHE 54 51 PRO 55 52 SER 56 53 ASN 57 54 TYR 58 55 VAL 59 56 SER 60 57 LEU 61 58 GLY 62 59 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 BMRB 18054 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18055 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18056 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18057 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18058 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18059 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18060 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18061 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18062 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18063 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18064 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18065 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18066 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18067 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18068 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18069 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18070 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18071 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18072 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18073 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18074 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18075 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18076 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18077 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 18078 AbpSH3 95.16 59 100.00 100.00 6.01e-33 BMRB 25354 Abp1p_SH3 100.00 62 100.00 100.00 2.54e-35 BMRB 26519 Abp1p 95.16 59 100.00 100.00 6.01e-33 PDB 1JO8 "Structural Analysis Of The Yeast Actin Binding Protein Abp1 Sh3 Domain" 93.55 58 100.00 100.00 3.16e-32 PDB 2K3B "Seeing The Invisible: Structures Of Excited Protein States By Relaxation Dispersion Nmr" 100.00 62 100.00 100.00 2.54e-35 PDB 2RPN "A Crucial Role For High Intrinsic Specificity In The Function Of Yeast Sh3 Domains" 95.16 59 100.00 100.00 6.01e-33 DBJ GAA21988 "K7_Abp1p [Saccharomyces cerevisiae Kyokai no. 7]" 93.55 592 100.00 100.00 4.97e-32 EMBL CAA36075 "unnamed protein product [Saccharomyces cerevisiae]" 93.55 592 100.00 100.00 5.51e-32 EMBL CAA42253 "actin-binding protein [Saccharomyces cerevisiae]" 93.55 592 100.00 100.00 5.68e-32 EMBL CAY78291 "Abp1p [Saccharomyces cerevisiae EC1118]" 93.55 592 100.00 100.00 5.24e-32 GB AHN96147 "ABP1 [synthetic construct]" 93.55 592 100.00 100.00 5.68e-32 GB AHV79349 "ABP1 [synthetic construct]" 93.55 592 100.00 100.00 5.68e-32 GB AHY79755 "Abp1p [Saccharomyces cerevisiae YJM993]" 93.55 592 100.00 100.00 5.13e-32 GB AJP37506 "Abp1p [Saccharomyces cerevisiae YJM1078]" 93.55 592 100.00 100.00 5.13e-32 GB AJQ31991 "Abp1p [Saccharomyces cerevisiae YJM1356]" 93.55 592 100.00 100.00 5.18e-32 PRF 1603360A "actin binding protein" 93.55 592 100.00 100.00 5.51e-32 REF NP_010012 "Abp1p [Saccharomyces cerevisiae S288c]" 93.55 592 100.00 100.00 5.68e-32 SP P15891 "RecName: Full=Actin-binding protein" 93.55 592 100.00 100.00 5.68e-32 TPG DAA07557 "TPA: Abp1p [Saccharomyces cerevisiae S288c]" 93.55 592 100.00 100.00 5.68e-32 stop_ save_ save_Ark1p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ark1p _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 17 _Mol_residue_sequence KKTKPTPPPKPSHLKPK loop_ _Residue_seq_code _Residue_label 1 LYS 2 LYS 3 THR 4 LYS 5 PRO 6 THR 7 PRO 8 PRO 9 PRO 10 LYS 11 PRO 12 SER 13 HIS 14 LEU 15 LYS 16 PRO 17 LYS 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 BMRB 17223 Ark1p 100.00 17 100.00 100.00 7.83e+00 BMRB 18055 ArkA 100.00 17 100.00 100.00 7.83e+00 BMRB 18067 ArkA_P(2)A 100.00 17 100.00 100.00 7.83e+00 PDB 2RPN "A Crucial Role For High Intrinsic Specificity In The Function Of Yeast Sh3 Domains" 100.00 18 100.00 100.00 6.61e+00 DBJ GAA26063 "K7_Ark1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 638 100.00 100.00 3.07e+00 EMBL CAA95882 "unnamed protein product [Saccharomyces cerevisiae]" 100.00 638 100.00 100.00 3.07e+00 GB AHY77072 "Ark1p [Saccharomyces cerevisiae YJM993]" 100.00 638 100.00 100.00 3.10e+00 GB EDN62778 "actin regulating kinase [Saccharomyces cerevisiae YJM789]" 100.00 638 100.00 100.00 3.07e+00 GB EDV12290 "serine/threonine kinase [Saccharomyces cerevisiae RM11-1a]" 100.00 638 100.00 100.00 3.10e+00 GB EEU04773 "Ark1p [Saccharomyces cerevisiae JAY291]" 100.00 638 100.00 100.00 3.10e+00 GB EGA56977 "Ark1p [Saccharomyces cerevisiae FostersB]" 100.00 638 100.00 100.00 3.02e+00 REF NP_014378 "Ark1p [Saccharomyces cerevisiae S288c]" 100.00 638 100.00 100.00 3.07e+00 SP P53974 "RecName: Full=Actin-regulating kinase 1 [Saccharomyces cerevisiae S288c]" 100.00 638 100.00 100.00 3.07e+00 TPG DAA10525 "TPA: serine/threonine protein kinase ARK1 [Saccharomyces cerevisiae S288c]" 100.00 638 100.00 100.00 3.07e+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 $Abp1p 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Abp1p 'recombinant technology' . Escherichia coli . pET32b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 50 mM Sodium Phosphate, 100 mM NaCl, 1mM EDTA, 1mM NaN3, pH 7.0 Aligned using Pf1 phage ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Abp1p 1.5 mM '[U-90% 2H; U-100% 15N]' $Ark1p 0.105 mM '[U-90% 2H; U-100% 15N]' 'Sodium Phosphate' 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' NaN3 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 50 mM Sodium Phosphate, 100 mM NaCl, 1mM EDTA, 1mM NaN3, pH 7.0 Aligned using PEG (C12E5)/hexanol, D2O Spliting 21 Hz ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Abp1p 1.5 mM '[U-90% 2H; U-100% 15N]' $Ark1p 0.105 mM 'natural abundance' 'Sodium Phosphate' 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' NaN3 1 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details ; 50 mM Sodium Phosphate, 100 mM NaCl, 1mM EDTA, 1mM NaN3, pH 7.0 Aligned using pf1 phage ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Abp1p 1.5 mM '[U-90% 2H; U-100% 15N; 13CO labeled]' $Ark1p 0.105 mM 'natural abundance' 'Sodium Phosphate' 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' NaN3 1 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 50 mM Sodium Phosphate, 100 mM NaCl, 1mM EDTA, 1mM NaN3, pH 7.0 Aligned using pf1 phage ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Abp1p 1.5 mM '[U-90% 2H; U-100% 15N; 13Ca labeled]' $Ark1p 0.105 mM 'natural abundance' 'Sodium Phosphate' 50 mM 'natural abundance' NaCl 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' NaN3 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.19 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Has Cold probe' save_ ############################# # NMR applied experiments # ############################# save_15N_CT-CW,TROSY,anti-TROSY_CPMG_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N CT-CW,TROSY,anti-TROSY CPMG' _Sample_label $sample_1 save_ save_15N_CT-CW,TROSY,anti-TROSY_CPMG_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N CT-CW,TROSY,anti-TROSY CPMG' _Sample_label $sample_2 save_ save_13CO_CT-inphase,TROSY,anti-TROSY_CPMG_3 _Saveframe_category NMR_applied_experiment _Experiment_name '13CO CT-inphase,TROSY,anti-TROSY CPMG' _Sample_label $sample_3 save_ save_13CA_CT-CW,TROSY,anti-TROSY_CPMG_4 _Saveframe_category NMR_applied_experiment _Experiment_name '13CA CT-CW,TROSY,anti-TROSY CPMG' _Sample_label $sample_4 save_ save_15N_CT-CW_CPMG_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N CT-CW CPMG' _Sample_label $sample_2 save_ save_13_CO_CT_CPMG_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13 CO CT CPMG' _Sample_label $sample_3 save_ save_13_CA_CT-CW_CPMG_7 _Saveframe_category NMR_applied_experiment _Experiment_name '13 CA CT-CW CPMG' _Sample_label $sample_4 save_ save_1H_CT-CW_CPMG_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H CT-CW CPMG' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 50 mM Sodium Phosphate, 100 mM NaCl, 1mM EDTA, 1mM NaN3, pH 7.0 Aligned using Pf1 phage ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.150 . M pH 7.0 . 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 water C 13 protons ppm 4.75 internal indirect . . . 0.251449530 water H 1 protons ppm 4.75 internal direct . . . 1 water N 15 protons ppm 4.75 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 '13CA CT-CW,TROSY,anti-TROSY CPMG' '15N CT-CW CPMG' '13 CO CT CPMG' '1H CT-CW CPMG' stop_ loop_ _Sample_label $sample_4 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Abp1p _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 4 ALA H H 8.336 . 1 2 1 4 ALA CA C 50.580 . 1 3 1 4 ALA N N 126.830 . 1 4 2 5 PRO C C 174.020 . 1 5 2 5 PRO CA C 63.590 . 1 6 3 6 TRP H H 7.824 . 1 7 3 6 TRP C C 174.290 . 1 8 3 6 TRP CA C 54.220 . 1 9 3 6 TRP N N 116.180 . 1 10 4 7 ALA H H 10.086 . 1 11 4 7 ALA C C 175.110 . 1 12 4 7 ALA CA C 50.890 . 1 13 4 7 ALA N N 120.850 . 1 14 5 8 THR H H 8.306 . 1 15 5 8 THR C C 174.880 . 1 16 5 8 THR CA C 60.770 . 1 17 5 8 THR N N 113.320 . 1 18 6 9 ALA H H 8.942 . 1 19 6 9 ALA C C 178.430 . 1 20 6 9 ALA CA C 53.180 . 1 21 6 9 ALA N N 127.520 . 1 22 7 10 GLU H H 9.410 . 1 23 7 10 GLU C C 174.070 . 1 24 7 10 GLU CA C 56.360 . 1 25 7 10 GLU N N 125.350 . 1 26 8 11 TYR H H 7.449 . 1 27 8 11 TYR C C 173.190 . 1 28 8 11 TYR CA C 54.890 . 1 29 8 11 TYR N N 113.090 . 1 30 9 12 ASP H H 8.598 . 1 31 9 12 ASP C C 175.570 . 1 32 9 12 ASP CA C 54.410 . 1 33 9 12 ASP N N 118.660 . 1 34 10 13 TYR H H 8.220 . 1 35 10 13 TYR C C 172.650 . 1 36 10 13 TYR CA C 58.850 . 1 37 10 13 TYR N N 121.770 . 1 38 11 14 ASP H H 7.090 . 1 39 11 14 ASP C C 173.250 . 1 40 11 14 ASP CA C 52.240 . 1 41 11 14 ASP N N 125.750 . 1 42 12 15 ALA H H 7.709 . 1 43 12 15 ALA C C 178.460 . 1 44 12 15 ALA CA C 53.540 . 1 45 12 15 ALA N N 123.700 . 1 46 13 16 ALA H H 8.854 . 1 47 13 16 ALA C C 177.430 . 1 48 13 16 ALA CA C 52.100 . 1 49 13 16 ALA N N 125.740 . 1 50 14 17 GLU H H 7.085 . 1 51 14 17 GLU C C 177.410 . 1 52 14 17 GLU CA C 54.350 . 1 53 14 17 GLU N N 113.060 . 1 54 15 18 ASP H H 8.671 . 1 55 15 18 ASP C C 175.630 . 1 56 15 18 ASP CA C 56.820 . 1 57 15 18 ASP N N 117.870 . 1 58 16 19 ASN H H 7.324 . 1 59 16 19 ASN C C 175.510 . 1 60 16 19 ASN N N 113.580 . 1 61 17 20 GLU H H 7.561 . 1 62 17 20 GLU C C 176.570 . 1 63 17 20 GLU CA C 54.890 . 1 64 17 20 GLU N N 117.770 . 1 65 18 21 LEU H H 8.756 . 1 66 18 21 LEU N N 122.350 . 1 67 19 22 THR H H 7.387 . 1 68 19 22 THR C C 174.450 . 1 69 19 22 THR CA C 61.730 . 1 70 19 22 THR N N 114.340 . 1 71 20 23 PHE H H 9.013 . 1 72 20 23 PHE C C 174.890 . 1 73 20 23 PHE CA C 55.530 . 1 74 20 23 PHE N N 120.590 . 1 75 21 24 VAL H H 9.253 . 1 76 21 24 VAL C C 174.970 . 1 77 21 24 VAL CA C 59.080 . 1 78 21 24 VAL N N 116.790 . 1 79 22 25 GLU H H 8.786 . 1 80 22 25 GLU C C 176.640 . 1 81 22 25 GLU CA C 58.510 . 1 82 22 25 GLU N N 120.530 . 1 83 23 26 ASN H H 8.905 . 1 84 23 26 ASN C C 175.120 . 1 85 23 26 ASN CA C 56.160 . 1 86 23 26 ASN N N 117.260 . 1 87 24 27 ASP H H 8.645 . 1 88 24 27 ASP C C 175.500 . 1 89 24 27 ASP CA C 56.050 . 1 90 24 27 ASP N N 122.590 . 1 91 25 28 LYS H H 8.172 . 1 92 25 28 LYS C C 175.860 . 1 93 25 28 LYS CA C 55.980 . 1 94 25 28 LYS N N 120.270 . 1 95 26 29 ILE H H 9.321 . 1 96 26 29 ILE C C 174.900 . 1 97 26 29 ILE N N 130.670 . 1 98 27 30 ILE H H 9.827 . 1 99 27 30 ILE C C 174.920 . 1 100 27 30 ILE N N 118.980 . 1 101 28 31 ASN H H 9.059 . 1 102 28 31 ASN C C 174.950 . 1 103 28 31 ASN CA C 53.870 . 1 104 28 31 ASN N N 115.820 . 1 105 29 32 ILE H H 7.898 . 1 106 29 32 ILE C C 176.110 . 1 107 29 32 ILE N N 117.130 . 1 108 30 33 GLU H H 9.236 . 1 109 30 33 GLU CA C 54.480 . 1 110 30 33 GLU N N 124.760 . 1 111 31 34 PHE H H 8.722 . 1 112 31 34 PHE C C 176.670 . 1 113 31 34 PHE CA C 54.740 . 1 114 31 34 PHE N N 128.360 . 1 115 32 35 VAL H H 7.730 . 1 116 32 35 VAL C C 174.340 . 1 117 32 35 VAL CA C 64.300 . 1 118 32 35 VAL N N 117.380 . 1 119 33 36 ASP H H 8.315 . 1 120 33 36 ASP C C 173.690 . 1 121 33 36 ASP CA C 53.360 . 1 122 33 36 ASP N N 120.430 . 1 123 34 37 ASP H H 8.169 . 1 124 34 37 ASP C C 177.490 . 1 125 34 37 ASP CA C 57.800 . 1 126 34 37 ASP N N 118.560 . 1 127 35 38 ASP H H 8.720 . 1 128 35 38 ASP CA C 55.120 . 1 129 35 38 ASP N N 116.470 . 1 130 36 39 TRP H H 7.827 . 1 131 36 39 TRP C C 172.550 . 1 132 36 39 TRP CA C 56.950 . 1 133 36 39 TRP N N 122.490 . 1 134 37 40 TRP H H 7.876 . 1 135 37 40 TRP C C 172.540 . 1 136 37 40 TRP CA C 51.560 . 1 137 37 40 TRP N N 119.940 . 1 138 38 41 LEU H H 8.358 . 1 139 38 41 LEU N N 121.000 . 1 140 39 42 GLY H H 8.833 . 1 141 39 42 GLY C C 177.660 . 1 142 39 42 GLY CA C 45.860 . 1 143 39 42 GLY N N 109.390 . 1 144 40 43 GLU H H 8.587 . 1 145 40 43 GLU C C 175.660 . 1 146 40 43 GLU CA C 52.620 . 1 147 40 43 GLU N N 119.760 . 1 148 41 44 LEU H H 9.521 . 1 149 41 44 LEU N N 125.870 . 1 150 42 45 GLU H H 8.190 . 1 151 42 45 GLU C C 178.540 . 1 152 42 45 GLU CA C 59.830 . 1 153 42 45 GLU N N 129.280 . 1 154 43 46 LYS H H 9.240 . 1 155 43 46 LYS C C 176.760 . 1 156 43 46 LYS CA C 58.600 . 1 157 43 46 LYS N N 113.610 . 1 158 44 47 ASP H H 6.822 . 1 159 44 47 ASP C C 177.220 . 1 160 44 47 ASP CA C 53.560 . 1 161 44 47 ASP N N 114.240 . 1 162 45 48 GLY H H 8.411 . 1 163 45 48 GLY C C 174.470 . 1 164 45 48 GLY CA C 46.160 . 1 165 45 48 GLY N N 109.800 . 1 166 46 49 SER H H 8.686 . 1 167 46 49 SER C C 172.620 . 1 168 46 49 SER CA C 59.800 . 1 169 46 49 SER N N 118.280 . 1 170 47 50 LYS H H 8.374 . 1 171 47 50 LYS C C 176.870 . 1 172 47 50 LYS CA C 54.960 . 1 173 47 50 LYS N N 119.480 . 1 174 48 51 GLY H H 8.751 . 1 175 48 51 GLY C C 171.500 . 1 176 48 51 GLY CA C 45.610 . 1 177 48 51 GLY N N 108.570 . 1 178 49 52 LEU H H 9.106 . 1 179 49 52 LEU N N 119.620 . 1 180 50 53 PHE H H 9.234 . 1 181 50 53 PHE CA C 55.130 . 1 182 50 53 PHE N N 115.170 . 1 183 51 54 PRO C C 178.440 . 1 184 51 54 PRO CA C 60.740 . 1 185 52 55 SER H H 7.870 . 1 186 52 55 SER C C 174.520 . 1 187 52 55 SER CA C 60.470 . 1 188 52 55 SER N N 120.570 . 1 189 53 56 ASN C C 175.200 . 1 190 53 56 ASN CA C 53.220 . 1 191 53 56 ASN N N 116.140 . 1 192 54 57 TYR H H 7.792 . 1 193 54 57 TYR C C 175.490 . 1 194 54 57 TYR CA C 59.100 . 1 195 54 57 TYR N N 119.160 . 1 196 55 58 VAL H H 7.419 . 1 197 55 58 VAL C C 173.780 . 1 198 55 58 VAL CA C 58.510 . 1 199 55 58 VAL N N 109.260 . 1 200 56 59 SER H H 8.604 . 1 201 56 59 SER C C 175.460 . 1 202 56 59 SER CA C 56.230 . 1 203 56 59 SER N N 113.840 . 1 204 57 60 LEU H H 9.158 . 1 205 57 60 LEU N N 129.010 . 1 206 58 61 GLY H H 8.487 . 1 207 58 61 GLY C C 172.430 . 1 208 58 61 GLY CA C 43.560 . 1 209 58 61 GLY N N 111.540 . 1 210 59 62 ASN H H 7.478 . 1 211 59 62 ASN CA C 54.620 . 1 212 59 62 ASN N N 123.280 . 1 stop_ save_