data_1813 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the 15N NMR spectra of reduced and oxidized Escherichia coli thioredoxin ; _BMRB_accession_number 1813 _BMRB_flat_file_name bmr1813.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _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 Chandrasekhar Kasibhatla . . 2 Krause Gunter . . 3 Holmgren Arne . . 4 Dyson H. Jane . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-15 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Chandrasekhar, Kasibhatla, Krause, Gunter, Holmgren, Arne, Dyson, H. Jane, "Assignment of the 15N NMR spectra of reduced and oxidized Escherichia coli thioredoxin," FEBS Lett. 284 (2), 178-183 (1991). ; _Citation_title ; Assignment of the 15N NMR spectra of reduced and oxidized Escherichia coli thioredoxin ; _Citation_status published _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 Chandrasekhar Kasibhatla . . 2 Krause Gunter . . 3 Holmgren Arne . . 4 Dyson H. Jane . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 284 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 178 _Page_last 183 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_thioredoxin _Saveframe_category molecular_system _Mol_system_name thioredoxin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label thioredoxin $thioredoxin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_thioredoxin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common thioredoxin _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; SDKIIHLTDDSFDTDVLKAD GAILVDFWAEWCGPCKMIAP ILDEIADEYQGKLTVAKLNI DQNPGTAPKYGIRGIPTLLL FKNGEVAATKVGALSKGQLK EFLDANLA ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASP 3 LYS 4 ILE 5 ILE 6 HIS 7 LEU 8 THR 9 ASP 10 ASP 11 SER 12 PHE 13 ASP 14 THR 15 ASP 16 VAL 17 LEU 18 LYS 19 ALA 20 ASP 21 GLY 22 ALA 23 ILE 24 LEU 25 VAL 26 ASP 27 PHE 28 TRP 29 ALA 30 GLU 31 TRP 32 CYS 33 GLY 34 PRO 35 CYS 36 LYS 37 MET 38 ILE 39 ALA 40 PRO 41 ILE 42 LEU 43 ASP 44 GLU 45 ILE 46 ALA 47 ASP 48 GLU 49 TYR 50 GLN 51 GLY 52 LYS 53 LEU 54 THR 55 VAL 56 ALA 57 LYS 58 LEU 59 ASN 60 ILE 61 ASP 62 GLN 63 ASN 64 PRO 65 GLY 66 THR 67 ALA 68 PRO 69 LYS 70 TYR 71 GLY 72 ILE 73 ARG 74 GLY 75 ILE 76 PRO 77 THR 78 LEU 79 LEU 80 LEU 81 PHE 82 LYS 83 ASN 84 GLY 85 GLU 86 VAL 87 ALA 88 ALA 89 THR 90 LYS 91 VAL 92 GLY 93 ALA 94 LEU 95 SER 96 LYS 97 GLY 98 GLN 99 LEU 100 LYS 101 GLU 102 PHE 103 LEU 104 ASP 105 ALA 106 ASN 107 LEU 108 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 17700 TRX_intact 100.00 108 100.00 100.00 8.24e-71 BMRB 1812 thioredoxin 100.00 108 100.00 100.00 8.24e-71 PDB 1F6M "Crystal Structure Of A Complex Between Thioredoxin Reductase, Thioredoxin, And The Nadp+ Analog, Aadp+" 100.00 108 99.07 99.07 9.29e-70 PDB 1KEB "Crystal Structure Of Double Mutant M37l,P40s E.Coli Thioredoxin" 100.00 108 98.15 99.07 3.63e-69 PDB 1SKR "T7 Dna Polymerase Complexed To Dna Primer/template And Ddatp" 100.00 108 100.00 100.00 8.24e-71 PDB 1SKS "Binary 3' Complex Of T7 Dna Polymerase With A Dna PrimerTEMPLATE CONTAINING A CIS-Syn Thymine Dimer On The Template" 100.00 108 100.00 100.00 8.24e-71 PDB 1SKW "Binary 3' Complex Of T7 Dna Polymerase With A Dna PrimerTEMPLATE CONTAINING A DISORDERED CIS-Syn Thymine Dimer On The Template" 100.00 108 100.00 100.00 8.24e-71 PDB 1SL0 "Ternary 3' Complex Of T7 Dna Polymerase With A Dna PrimerTEMPLATE CONTAINING A DISORDERED CIS-Syn Thymine Dimer On The Template" 100.00 108 100.00 100.00 8.24e-71 PDB 1SL1 "Binary 5' Complex Of T7 Dna Polymerase With A Dna Primer/template Containing A Cis-syn Thymine Dimer On The Template" 100.00 108 100.00 100.00 8.24e-71 PDB 1SL2 "Ternary 5' Complex Of T7 Dna Polymerase With A Dna PrimerTEMPLATE CONTAINING A CIS-Syn Thymine Dimer On The Template And An Inc" 100.00 108 100.00 100.00 8.24e-71 PDB 1T7P "T7 Dna Polymerase Complexed To Dna PrimerTEMPLATE,A Nucleoside Triphosphate, And Its Processivity Factor Thioredoxin" 100.00 108 100.00 100.00 8.24e-71 PDB 1T8E "T7 Dna Polymerase Ternary Complex With Dctp At The Insertion Site." 100.00 108 100.00 100.00 8.24e-71 PDB 1THO "Crystal Structure Of A Mutant Escherichia Coli Thioredoxin With An Arginine Insertion In The Active Site" 100.93 109 99.08 99.08 4.71e-69 PDB 1TK0 "T7 Dna Polymerase Ternary Complex With 8 Oxo Guanosine And Ddctp At The Insertion Site" 100.00 108 100.00 100.00 8.24e-71 PDB 1TK5 "T7 Dna Polymerase Binary Complex With 8 Oxo Guanosine In The Templating Strand" 100.00 108 100.00 100.00 8.24e-71 PDB 1TK8 "T7 Dna Polymerase Ternary Complex With 8 Oxo Guanosine And Damp At The Elongation Site" 100.00 108 100.00 100.00 8.24e-71 PDB 1TKD "T7 Dna Polymerase Ternary Complex With 8 Oxo Guanosine And Dcmp At The Elongation Site" 100.00 108 100.00 100.00 8.24e-71 PDB 1TXX "Active-Site Variant Of E.Coli Thioredoxin" 100.00 108 98.15 98.15 6.33e-68 PDB 1X9M "T7 Dna Polymerase In Complex With An N-2- Acetylaminofluorene-adducted Dna" 100.00 108 100.00 100.00 8.24e-71 PDB 1X9S "T7 Dna Polymerase In Complex With A PrimerTEMPLATE DNA Containing A Disordered N-2 Aminofluorene On The Template, Crystallized " 100.00 108 100.00 100.00 8.24e-71 PDB 1X9W "T7 Dna Polymerase In Complex With A Primer/template Dna Containing A Disordered N-2 Aminofluorene On The Template, Crystallized" 100.00 108 100.00 100.00 8.24e-71 PDB 1XOA "Thioredoxin (Oxidized Disulfide Form), Nmr, 20 Structures" 99.07 108 100.00 100.00 4.28e-70 PDB 1XOB "Thioredoxin (Reduced Dithio Form), Nmr, 20 Structures" 99.07 108 100.00 100.00 4.28e-70 PDB 1ZCP "Crystal Structure Of A Catalytic Site Mutant E. Coli Trxa (Caca)" 100.00 108 97.22 97.22 2.61e-67 PDB 1ZYQ "T7 Dna Polymerase In Complex With 8og And Incoming Ddatp" 100.00 108 100.00 100.00 8.24e-71 PDB 1ZZY "Crystal Structure Of Thioredoxin Mutant L7v" 100.00 108 99.07 100.00 1.95e-70 PDB 2AJQ "Structure Of Replicative Dna Polymerase Provides Insigts Into The Mechanisms For Processivity, Frameshifting And Editing" 100.00 108 100.00 100.00 8.24e-71 PDB 2BTO "Structure Of Btuba From Prosthecobacter Dejongeii" 100.00 108 100.00 100.00 8.24e-71 PDB 2EIO "Design Of Disulfide-Linked Thioredoxin Dimers And Multimers Through Analysis Of Crystal Contacts" 100.00 108 99.07 99.07 2.06e-69 PDB 2EIQ "Design Of Disulfide-linked Thioredoxin Dimers And Multimers Through Analysis Of Crystal Contacts" 100.00 108 99.07 99.07 6.34e-70 PDB 2EIR "Design Of Disulfide-Linked Thioredoxin Dimers And Multimers Through Analysis Of Crystal Contacts" 100.00 108 98.15 98.15 9.08e-69 PDB 2FCH "Crystal Structure Of Thioredoxin Mutant G74s" 100.00 108 99.07 99.07 4.19e-70 PDB 2FD3 "Crystal Structure Of Thioredoxin Mutant P34h" 100.00 108 99.07 99.07 1.09e-69 PDB 2H6X "Crystal Structure Of Thioredoxin Wild Type In Hexagonal (P61) Space Group" 100.00 108 100.00 100.00 8.24e-71 PDB 2H6Y "Crystal Structure Of Thioredoxin Mutant E48d In Hexagonal (P61) Space Group" 100.00 108 99.07 100.00 3.48e-70 PDB 2H6Z "Crystal Structure Of Thioredoxin Mutant E44d In Hexagonal (P61) Space Group" 100.00 108 99.07 100.00 3.48e-70 PDB 2H70 "Crystal Structure Of Thioredoxin Mutant D9e In Hexagonal (P61) Space Group" 100.00 108 99.07 100.00 2.62e-70 PDB 2H71 "Crystal Structure Of Thioredoxin Mutant D47e In Hexagonal (P61) Space Group" 100.00 108 99.07 100.00 2.62e-70 PDB 2H72 "Crystal Structure Of Thioredoxin Mutant E85d In Hexagonal (P61) Space Group" 100.00 108 99.07 100.00 3.48e-70 PDB 2H73 "Crystal Structure Of Thioredoxin Mutant D43e In Hexagonal (P61) Space Group" 100.00 108 99.07 100.00 2.62e-70 PDB 2H74 "Crystal Structure Of Thioredoxin Mutant D2e In Hexagonal (P61) Space Group" 100.00 108 99.07 100.00 2.62e-70 PDB 2H75 "Crystal Structure Of Thioredoxin Mutant D13e In Hexagonal (P61) Space Group" 100.00 108 99.07 100.00 2.62e-70 PDB 2H76 "Crystal Structure Of Thioredoxin Mutant D10e In Hexagonal (P61) Space Group" 100.00 108 99.07 100.00 2.62e-70 PDB 2O8V "Paps Reductase In A Covalent Complex With Thioredoxin C35a" 100.00 128 99.07 99.07 2.45e-70 PDB 2TIR "Crystal Structure Analysis Of A Mutant Escherichia Coli Thioredoxin In Which Lysine 36 Is Replaced By Glutamic Acid" 100.00 108 99.07 100.00 2.51e-70 PDB 2TRX "Crystal Structure Of Thioredoxin From Escherichia Coli At 1.68 Angstroms Resolution" 100.00 108 100.00 100.00 8.24e-71 PDB 3DXB "Structure Of The Uhm Domain Of Puf60 Fused To Thioredoxin" 100.00 222 100.00 100.00 9.51e-71 PDB 3DYR "Crystal Structure Of E. Coli Thioredoxin Mutant I76t In Its Oxidized Form" 100.00 111 99.07 99.07 2.76e-70 PDB 4KCA "Crystal Structure Of Endo-1,5-alpha-l-arabinanase From A Bovine Ruminal Metagenomic Library" 100.00 692 100.00 100.00 7.64e-66 PDB 4KCB "Crystal Structure Of Exo-1,5-alpha-l-arabinanase From Bovine Ruminal Metagenomic Library" 100.00 447 100.00 100.00 3.39e-69 DBJ BAA00903 "thioredoxin [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 109 100.00 100.00 6.13e-71 DBJ BAB38137 "thioredoxin 1 [Escherichia coli O157:H7 str. Sakai]" 100.00 127 100.00 100.00 3.41e-71 DBJ BAE77517 "thioredoxin 1 [Escherichia coli str. K12 substr. W3110]" 100.00 109 100.00 100.00 6.13e-71 DBJ BAG79587 "thioredoxin [Escherichia coli SE11]" 100.00 109 100.00 100.00 6.13e-71 DBJ BAH61053 "thioredoxin [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" 100.00 113 97.22 98.15 5.70e-69 EMBL CAA79851 "thioredoxin [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 109 100.00 100.00 6.13e-71 EMBL CAD09400 "thioredoxin [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 109 100.00 100.00 6.13e-71 EMBL CAP78228 "Thioredoxin 1 [Escherichia coli LF82]" 100.00 144 100.00 100.00 3.36e-71 EMBL CAQ34125 "thioredoxin 1 [Escherichia coli BL21(DE3)]" 100.00 109 100.00 100.00 6.13e-71 EMBL CAQ91183 "thioredoxin 1 [Escherichia fergusonii ATCC 35469]" 100.00 109 100.00 100.00 6.13e-71 GB AAA24533 "thioredoxin (trxA) [Escherichia coli]" 100.00 109 100.00 100.00 6.13e-71 GB AAA24534 "thioredoxin [Escherichia coli]" 100.00 127 100.00 100.00 3.41e-71 GB AAA24693 "thioredoxin [Escherichia coli]" 100.00 109 100.00 100.00 6.13e-71 GB AAA24694 "thioredoxin (trxA) [Escherichia coli]" 100.00 109 100.00 100.00 6.13e-71 GB AAA24696 "thioredoxin [Escherichia coli]" 100.93 110 99.08 99.08 3.08e-69 PIR AF0922 "thioredoxin [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 109 100.00 100.00 6.13e-71 PIR B91218 "thioredoxin 1 [imported] - Escherichia coli (strain O157:H7, substrain RIMD 0509952)" 100.00 127 100.00 100.00 3.41e-71 PIR C86064 "thioredoxin 1 [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" 100.00 127 100.00 100.00 3.41e-71 REF NP_312741 "thioredoxin [Escherichia coli O157:H7 str. Sakai]" 100.00 127 100.00 100.00 3.41e-71 REF NP_418228 "thioredoxin 1 [Escherichia coli str. K-12 substr. MG1655]" 100.00 109 100.00 100.00 6.13e-71 REF NP_457831 "thioredoxin [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 109 100.00 100.00 6.13e-71 REF NP_462806 "thioredoxin [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 109 100.00 100.00 6.13e-71 REF NP_709584 "thioredoxin [Shigella flexneri 2a str. 301]" 100.00 127 100.00 100.00 3.41e-71 SP P0AA25 "RecName: Full=Thioredoxin-1; Short=Trx-1" 100.00 109 100.00 100.00 6.13e-71 SP P0AA26 "RecName: Full=Thioredoxin-1; Short=Trx-1" 100.00 109 100.00 100.00 6.13e-71 SP P0AA27 "RecName: Full=Thioredoxin-1; Short=Trx-1" 100.00 109 100.00 100.00 6.13e-71 SP P0AA28 "RecName: Full=Thioredoxin-1; Short=Trx-1" 100.00 109 100.00 100.00 6.13e-71 SP P0AA29 "RecName: Full=Thioredoxin-1; Short=Trx-1" 100.00 109 100.00 100.00 6.13e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $thioredoxin 'E. coli' 562 Eubacteria . Escherichia coli 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 $thioredoxin 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.7 . na temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label 'liquid NH3' N . . ppm 0 . . . . . $entry_citation $entry_citation 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name thioredoxin _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 . 3 LYS N N 119.8 . 1 2 . 4 ILE N N 120.8 . 1 3 . 5 ILE N N 126.4 . 1 4 . 6 HIS N N 126.3 . 1 5 . 7 LEU N N 124.8 . 1 6 . 8 THR N N 108.4 . 1 7 . 9 ASP N N 120.1 . 1 8 . 10 ASP N N 116.4 . 1 9 . 11 SER N N 117.4 . 1 10 . 12 PHE N N 125.5 . 1 11 . 13 ASP N N 117.4 . 1 12 . 14 THR N N 112.5 . 1 13 . 15 ASP N N 118.7 . 1 14 . 16 VAL N N 113.3 . 1 15 . 17 LEU N N 116.5 . 1 16 . 18 LYS N N 115.3 . 1 17 . 19 ALA N N 122.5 . 1 18 . 20 ASP N N 121.1 . 1 19 . 21 GLY N N 108.7 . 1 20 . 22 ALA N N 123.6 . 1 21 . 23 ILE N N 123.8 . 1 22 . 24 LEU N N 130.6 . 1 23 . 25 VAL N N 126.8 . 1 24 . 26 ASP N N 124.6 . 1 25 . 27 PHE N N 128.6 . 1 26 . 28 TRP N N 120 . 1 27 . 29 ALA N N 116.7 . 1 28 . 30 GLU N N 121.7 . 1 29 . 31 TRP N N 111.7 . 1 30 . 32 CYS N N 120.8 . 1 31 . 33 GLY N N 121.6 . 1 32 . 35 CYS N N 111.1 . 1 33 . 36 LYS N N 121.7 . 1 34 . 37 MET N N 117.7 . 1 35 . 38 ILE N N 109.8 . 1 36 . 39 ALA N N 125.4 . 1 37 . 41 ILE N N 116.7 . 1 38 . 42 LEU N N 119.6 . 1 39 . 43 ASP N N 118.6 . 1 40 . 44 GLU N N 118.5 . 1 41 . 45 ILE N N 121 . 1 42 . 46 ALA N N 122.5 . 1 43 . 47 ASP N N 115.2 . 1 44 . 48 GLU N N 120.6 . 1 45 . 49 TYR N N 115.5 . 1 46 . 50 GLN N N 121.5 . 1 47 . 51 GLY N N 115.5 . 1 48 . 52 LYS N N 118.2 . 1 49 . 53 LEU N N 119.5 . 1 50 . 54 THR N N 123.5 . 1 51 . 55 VAL N N 129.9 . 1 52 . 56 ALA N N 129.4 . 1 53 . 57 LYS N N 118.4 . 1 54 . 58 LEU N N 123.5 . 1 55 . 59 ASN N N 126.7 . 1 56 . 60 ILE N N 122.4 . 1 57 . 61 ASP N N 122.2 . 1 58 . 62 GLN N N 116.1 . 1 59 . 63 ASN N N 116.4 . 1 60 . 65 GLY N N 112.4 . 1 61 . 66 THR N N 118.8 . 1 62 . 67 ALA N N 124.2 . 1 63 . 69 LYS N N 117.1 . 1 64 . 70 TYR N N 114.7 . 1 65 . 71 GLY N N 108.1 . 1 66 . 72 ILE N N 119.3 . 1 67 . 73 ARG N N 128.2 . 1 68 . 74 GLY N N 108.4 . 1 69 . 75 ILE N N 113.3 . 1 70 . 77 THR N N 118.7 . 1 71 . 78 LEU N N 127 . 1 72 . 79 LEU N N 122 . 1 73 . 80 LEU N N 125.4 . 1 74 . 81 PHE N N 128.5 . 1 75 . 82 LYS N N 117.5 . 1 76 . 83 ASN N N 124.2 . 1 77 . 84 GLY N N 104.4 . 1 78 . 85 GLU N N 118.7 . 1 79 . 86 VAL N N 123.1 . 1 80 . 87 ALA N N 133.4 . 1 81 . 88 ALA N N 117.4 . 1 82 . 89 THR N N 115.4 . 1 83 . 90 LYS N N 126.2 . 1 84 . 91 VAL N N 125.6 . 1 85 . 92 GLY N N 113.3 . 1 86 . 93 ALA N N 118.3 . 1 87 . 94 LEU N N 119.4 . 1 88 . 95 SER N N 120.7 . 1 89 . 96 LYS N N 121.6 . 1 90 . 97 GLY N N 105.6 . 1 91 . 98 GLN N N 120.9 . 1 92 . 99 LEU N N 123.6 . 1 93 . 100 LYS N N 119.8 . 1 94 . 101 GLU N N 117.9 . 1 95 . 102 PHE N N 120.3 . 1 96 . 103 LEU N N 121.2 . 1 97 . 104 ASP N N 120.2 . 1 98 . 105 ALA N N 118.5 . 1 99 . 106 ASN N N 113.2 . 1 100 . 107 LEU N N 121 . 1 101 . 108 ALA N N 128.9 . 1 stop_ save_