data_18671 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the complex between the Sgt2 homodimerization domain and the Get5 UBL domain ; _BMRB_accession_number 18671 _BMRB_flat_file_name bmr18671.str _Entry_type original _Submission_date 2012-08-19 _Accession_date 2012-08-19 _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 Chartron Justin W. . 2 VanderVelde David G. . 3 Clemons William M. Jr. stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 766 "13C chemical shifts" 522 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-18 update BMRB 'update entry citation' 2012-11-20 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18669 'Get5 ubiquitin-like domain' 18670 'Sgt2 homodimerization domain' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structures of the Sgt2/SGTA dimerization domain with the Get5/UBL4A UBL domain reveal an interaction that forms a conserved dynamic interface.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23142665 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chartron Justin W. . 2 VanderVelde David G. . 3 Clemons William M. Jr. stop_ _Journal_abbreviation 'Cell Rep.' _Journal_name_full 'Cell reports' _Journal_volume 2 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1620 _Page_last 1632 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'complex between the Sgt2 homodimerization domain and the Get5 UBL domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Get5 $Get5 Sgt2_1 $Sgt2 Sgt2_2 $Sgt2 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_Get5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Get5 _Molecular_mass 9170.889 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 81 _Mol_residue_sequence ; MVHLTLKKIQAPKFSIEHDF SPSDTILQIKQHLISEEKAS HISEIKLLLKGKVLHDNLFL SDLKVTPANSTITVMIKPNL E ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 73 MET 2 74 VAL 3 75 HIS 4 76 LEU 5 77 THR 6 78 LEU 7 79 LYS 8 80 LYS 9 81 ILE 10 82 GLN 11 83 ALA 12 84 PRO 13 85 LYS 14 86 PHE 15 87 SER 16 88 ILE 17 89 GLU 18 90 HIS 19 91 ASP 20 92 PHE 21 93 SER 22 94 PRO 23 95 SER 24 96 ASP 25 97 THR 26 98 ILE 27 99 LEU 28 100 GLN 29 101 ILE 30 102 LYS 31 103 GLN 32 104 HIS 33 105 LEU 34 106 ILE 35 107 SER 36 108 GLU 37 109 GLU 38 110 LYS 39 111 ALA 40 112 SER 41 113 HIS 42 114 ILE 43 115 SER 44 116 GLU 45 117 ILE 46 118 LYS 47 119 LEU 48 120 LEU 49 121 LEU 50 122 LYS 51 123 GLY 52 124 LYS 53 125 VAL 54 126 LEU 55 127 HIS 56 128 ASP 57 129 ASN 58 130 LEU 59 131 PHE 60 132 LEU 61 133 SER 62 134 ASP 63 135 LEU 64 136 LYS 65 137 VAL 66 138 THR 67 139 PRO 68 140 ALA 69 141 ASN 70 142 SER 71 143 THR 72 144 ILE 73 145 THR 74 146 VAL 75 147 MET 76 148 ILE 77 149 LYS 78 150 PRO 79 151 ASN 80 152 LEU 81 153 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 18342 Get5_ubl 96.30 97 100.00 100.00 4.73e-45 BMRB 18669 Get5 100.00 87 100.00 100.00 2.16e-47 PDB 2LXA "Solution Structure Of The Get5 Ubiquitin-like Domain" 100.00 87 100.00 100.00 2.16e-47 PDB 2LXC "Solution Structure Of The Complex Between The Sgt2 Homodimerization Domain And The Get5 Ubl Domain" 100.00 81 100.00 100.00 8.31e-48 PDB 3ZDM "Crystal Structure Of The Sgt2 N Domain And The Get5 Ubl Domain Complex" 96.30 81 100.00 100.00 1.19e-45 PDB 4A20 "Crystal Structure Of The Ubl Domain Of Mdy2 (get5) At 1.78a" 96.30 98 100.00 100.00 4.51e-45 PDB 4ASW "Structure Of The Complex Between The N-terminal Dimerisation Domain Of Sgt2 And The Ubl Domain Of Get5" 96.30 83 100.00 100.00 1.88e-45 PDB 4GOC "Crystal Structure Of The Get5 Ubiquitin-like Domain" 92.59 76 100.00 100.00 6.15e-43 DBJ GAA26218 "K7_Mdy2p [Saccharomyces cerevisiae Kyokai no. 7]" 96.30 212 100.00 100.00 1.03e-44 EMBL CAA88151 "ORF [Saccharomyces cerevisiae]" 96.30 212 100.00 100.00 9.13e-45 EMBL CAA99130 "unnamed protein product [Saccharomyces cerevisiae]" 96.30 212 100.00 100.00 9.13e-45 EMBL CAY86179 "Mdy2p [Saccharomyces cerevisiae EC1118]" 96.30 212 100.00 100.00 9.13e-45 GB AHY77206 "Mdy2p [Saccharomyces cerevisiae YJM993]" 96.30 212 100.00 100.00 1.02e-44 GB AJP41438 "Mdy2p [Saccharomyces cerevisiae YJM1078]" 96.30 212 100.00 100.00 1.02e-44 GB AJT70857 "Mdy2p [Saccharomyces cerevisiae YJM189]" 96.30 212 100.00 100.00 1.02e-44 GB AJT71348 "Mdy2p [Saccharomyces cerevisiae YJM193]" 96.30 212 100.00 100.00 1.02e-44 GB AJT71834 "Mdy2p [Saccharomyces cerevisiae YJM195]" 96.30 212 100.00 100.00 8.55e-45 REF NP_014530 "Mdy2p [Saccharomyces cerevisiae S288c]" 96.30 212 100.00 100.00 9.13e-45 SP Q12285 "RecName: Full=Ubiquitin-like protein MDY2; AltName: Full=Golgi to ER traffic protein 5; AltName: Full=Mating-deficient protein " 96.30 212 100.00 100.00 9.13e-45 TPG DAA10672 "TPA: Mdy2p [Saccharomyces cerevisiae S288c]" 96.30 212 100.00 100.00 9.13e-45 stop_ save_ save_Sgt2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sgt2 _Molecular_mass 7889.790 _Mol_thiol_state . _Details . _Residue_count 74 _Mol_residue_sequence ; SVDSASKEEIAALIVNYFSS IVEKKEISEDGADSLNVAMD CISEAFGFEREAVSGILGKS EFKGQHLADILNSA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 SER 2 -1 VAL 3 1 ASP 4 2 SER 5 3 ALA 6 4 SER 7 5 LYS 8 6 GLU 9 7 GLU 10 8 ILE 11 9 ALA 12 10 ALA 13 11 LEU 14 12 ILE 15 13 VAL 16 14 ASN 17 15 TYR 18 16 PHE 19 17 SER 20 18 SER 21 19 ILE 22 20 VAL 23 21 GLU 24 22 LYS 25 23 LYS 26 24 GLU 27 25 ILE 28 26 SER 29 27 GLU 30 28 ASP 31 29 GLY 32 30 ALA 33 31 ASP 34 32 SER 35 33 LEU 36 34 ASN 37 35 VAL 38 36 ALA 39 37 MET 40 38 ASP 41 39 CYS 42 40 ILE 43 41 SER 44 42 GLU 45 43 ALA 46 44 PHE 47 45 GLY 48 46 PHE 49 47 GLU 50 48 ARG 51 49 GLU 52 50 ALA 53 51 VAL 54 52 SER 55 53 GLY 56 54 ILE 57 55 LEU 58 56 GLY 59 57 LYS 60 58 SER 61 59 GLU 62 60 PHE 63 61 LYS 64 62 GLY 65 63 GLN 66 64 HIS 67 65 LEU 68 66 ALA 69 67 ASP 70 68 ILE 71 69 LEU 72 70 ASN 73 71 SER 74 72 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 18341 Sgt2_nt 95.95 92 100.00 100.00 1.44e-40 BMRB 18670 Sgt2 100.00 74 100.00 100.00 2.25e-42 PDB 2LXB "Solution Structure Of The Sgt2 Homodimerization Domain" 100.00 74 100.00 100.00 2.25e-42 PDB 2LXC "Solution Structure Of The Complex Between The Sgt2 Homodimerization Domain And The Get5 Ubl Domain" 100.00 74 100.00 100.00 2.25e-42 PDB 3ZDM "Crystal Structure Of The Sgt2 N Domain And The Get5 Ubl Domain Complex" 95.95 72 100.00 100.00 2.24e-40 PDB 4ASV "Solution Structure Of The N-terminal Dimerisation Domain Of Sgt2" 95.95 92 100.00 100.00 1.46e-40 PDB 4ASW "Structure Of The Complex Between The N-terminal Dimerisation Domain Of Sgt2 And The Ubl Domain Of Get5" 95.95 92 100.00 100.00 1.46e-40 DBJ GAA26330 "K7_Sgt2p [Saccharomyces cerevisiae Kyokai no. 7]" 95.95 346 100.00 100.00 6.13e-39 EMBL CAA99195 "unnamed protein product [Saccharomyces cerevisiae]" 95.95 346 100.00 100.00 6.13e-39 EMBL CAY86295 "Sgt2p [Saccharomyces cerevisiae EC1118]" 95.95 346 100.00 100.00 6.13e-39 GB AAC49487 "hypothetical protein UNF346 [Saccharomyces cerevisiae]" 95.95 346 100.00 100.00 6.13e-39 GB AHY77314 "Sgt2p [Saccharomyces cerevisiae YJM993]" 95.95 346 100.00 100.00 6.13e-39 GB EDN63877 "small glutamine-rich tetratricopeptide repeat-containing protein [Saccharomyces cerevisiae YJM789]" 95.95 346 100.00 100.00 6.13e-39 GB EDV10615 "small glutamine-rich tetratricopeptide repeat-containing protein 2 [Saccharomyces cerevisiae RM11-1a]" 95.95 346 100.00 100.00 6.13e-39 GB EDZ69384 "YOR007Cp-like protein [Saccharomyces cerevisiae AWRI1631]" 95.95 189 100.00 100.00 5.01e-40 REF NP_014649 "Sgt2p [Saccharomyces cerevisiae S288c]" 95.95 346 100.00 100.00 6.13e-39 SP Q12118 "RecName: Full=Small glutamine-rich tetratricopeptide repeat-containing protein 2; AltName: Full=SGT/UBP; AltName: Full=Viral pr" 95.95 346 100.00 100.00 6.13e-39 TPG DAA10789 "TPA: Sgt2p [Saccharomyces cerevisiae S288c]" 95.95 346 100.00 100.00 6.13e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Get5 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae Get5 $Sgt2 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae Sgt2 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 $Get5 'recombinant technology' . Escherichia coli NiCo21(DE3) pET33b $Sgt2 'recombinant technology' . Escherichia coli NiCo21(DE3) pET33b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Saturated complex between labeled Sgt2 and unlabeled Get5. Two monomers of Sgt form a homodimer, that binds one monomer of Get5.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Get5 1 mM 'natural abundance' $Sgt2 2 mM '[U-100% 13C; U-100% 15N]' Bis-Tris 10 mM 'natural abundance' L-arginine 50 mM 'natural abundance' 'L-glutamic acid' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type 'gel solution' _Details 'Saturated complex between labeled Sgt2 and unlabeled Get5. Two monomers of Sgt form a homodimer, that binds one monomer of Get5.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Get5 1 mM 'natural abundance' $Sgt2 2 mM '[U-100% 13C; U-100% 15N]' Bis-Tris 10 mM 'natural abundance' L-arginine 50 mM 'natural abundance' 'L-glutamic acid' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' polyacrylamide 3.5 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'Saturated complex between unlabeled Sgt2 and labeled Get5. Two monomers of Sgt form a homodimer, that binds one monomer of Get5.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Get5 1 mM '[U-100% 13C; U-100% 15N]' $Sgt2 2 mM 'natural abundance' Bis-Tris 10 mM 'natural abundance' L-arginine 50 mM 'natural abundance' 'L-glutamic acid' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type 'gel solution' _Details 'Saturated complex between unlabeled Sgt2 and labeled Get5. Two monomers of Sgt form a homodimer, that binds one monomer of Get5.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Get5 1 mM '[U-100% 13C; U-100% 15N]' $Sgt2 2 mM 'natural abundance' Bis-Tris 10 mM 'natural abundance' L-arginine 50 mM 'natural abundance' 'L-glutamic acid' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' polyacrylamide 3.5 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_HADDOCK _Saveframe_category software _Name HADDOCK _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Alexandre Bonvin' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_PALES _Saveframe_category software _Name PALES _Version . loop_ _Vendor _Address _Electronic_address 'Zweckstetter and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _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_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_(H)CCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 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 . mM pH 6.1 . pH pressure 1 . atm temperature 310 . 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 4.658 internal indirect . . . 0.251457 water H 1 protons ppm 4.658 internal direct . . . 1.0 water N 15 protons ppm 4.658 internal indirect . . . 0.1013401 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_1 _Saveframe_category assigned_chemical_shifts _Details 'These are shifts for chain A' loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D HNCO' '3D (H)CCH-TOCSY' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Get5 _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 73 1 MET HA H 4.144 0.004 1 2 73 1 MET HB2 H 2.543 0.003 2 3 73 1 MET HB3 H 2.657 0.002 2 4 73 1 MET HG3 H 2.007 0 1 5 73 1 MET HE H 1.88 0 1 6 73 1 MET C C 173.034 0 1 7 73 1 MET CA C 54.805 0.032 1 8 73 1 MET CB C 31.838 0.003 1 9 73 1 MET CG C 33.657 0 1 10 73 1 MET CE C 17.048 0 1 11 74 2 VAL H H 9.282 0.003 1 12 74 2 VAL HA H 3.631 0.002 1 13 74 2 VAL HB H 2.103 0 1 14 74 2 VAL HG1 H 0.948 0.004 2 15 74 2 VAL HG2 H 0.859 0.007 2 16 74 2 VAL C C 174.219 0 1 17 74 2 VAL CA C 61.346 0.044 1 18 74 2 VAL CB C 33.246 0 1 19 74 2 VAL CG1 C 20.323 0 2 20 74 2 VAL CG2 C 20.122 0.03 2 21 74 2 VAL N N 121.256 0.042 1 22 75 3 HIS H H 8.815 0.003 1 23 75 3 HIS HA H 4.423 0 1 24 75 3 HIS HB2 H 3.204 0 2 25 75 3 HIS HB3 H 3.077 0 2 26 75 3 HIS HD1 H 7.352 0 1 27 75 3 HIS HE1 H 7.057 0 1 28 75 3 HIS C C 173.419 0 1 29 75 3 HIS CA C 57.19 0.001 1 30 75 3 HIS CB C 28.981 0.029 1 31 75 3 HIS N N 128.118 0.057 1 32 76 4 LEU H H 8.256 0.002 1 33 76 4 LEU HA H 5.137 0.006 1 34 76 4 LEU HB2 H 1.688 0.005 2 35 76 4 LEU HB3 H 1.35 0.011 2 36 76 4 LEU HG H 1.681 0 1 37 76 4 LEU HD1 H 0.664 0.001 2 38 76 4 LEU HD2 H 0.828 0.006 2 39 76 4 LEU C C 175.528 0 1 40 76 4 LEU CA C 53.403 0.078 1 41 76 4 LEU CB C 46.589 0.053 1 42 76 4 LEU CG C 26.674 0 1 43 76 4 LEU CD1 C 26.33 0.082 2 44 76 4 LEU CD2 C 23.855 0.02 2 45 76 4 LEU N N 125.607 0.06 1 46 77 5 THR H H 8.357 0.002 1 47 77 5 THR HA H 4.822 0.004 1 48 77 5 THR HB H 4.058 0.001 1 49 77 5 THR HG2 H 1.097 0.003 1 50 77 5 THR C C 173.047 0 1 51 77 5 THR CA C 62.33 0.092 1 52 77 5 THR CB C 69.567 0.035 1 53 77 5 THR CG2 C 21.656 0.036 1 54 77 5 THR N N 116.931 0.026 1 55 78 6 LEU H H 9.758 0.003 1 56 78 6 LEU HA H 5.028 0.007 1 57 78 6 LEU HB2 H 1.191 0.004 2 58 78 6 LEU HB3 H 2.227 0.009 2 59 78 6 LEU HG H 1.74 0 1 60 78 6 LEU HD1 H 0.939 0.002 2 61 78 6 LEU HD2 H 0.755 0.005 2 62 78 6 LEU C C 174.178 0 1 63 78 6 LEU CA C 53.193 0.055 1 64 78 6 LEU CB C 41.587 0.07 1 65 78 6 LEU CG C 27.156 0.004 1 66 78 6 LEU CD1 C 25.833 0.055 2 67 78 6 LEU CD2 C 24.556 0.015 2 68 78 6 LEU N N 128.219 0.024 1 69 79 7 LYS H H 8.881 0.004 1 70 79 7 LYS HA H 5.02 0.005 1 71 79 7 LYS HB2 H 1.412 0.007 2 72 79 7 LYS HB3 H 1.698 0.007 2 73 79 7 LYS HG2 H 1.347 0 2 74 79 7 LYS HG3 H 1.087 0.007 2 75 79 7 LYS HD3 H 1.574 0.007 1 76 79 7 LYS HE3 H 2.828 0.009 1 77 79 7 LYS C C 173.554 0 1 78 79 7 LYS CA C 55.345 0.078 1 79 79 7 LYS CB C 36.447 0.072 1 80 79 7 LYS CG C 24.931 0 1 81 79 7 LYS CD C 29.72 0.042 1 82 79 7 LYS CE C 42.138 0.057 1 83 79 7 LYS N N 125.373 0.057 1 84 80 8 LYS H H 8.287 0.002 1 85 80 8 LYS HA H 4.805 0.003 1 86 80 8 LYS HB2 H 0.341 0.006 2 87 80 8 LYS HB3 H 0.62 0.005 2 88 80 8 LYS HG2 H 1.332 0 2 89 80 8 LYS HG3 H 1.547 0 2 90 80 8 LYS HD2 H 1.512 0.001 2 91 80 8 LYS HD3 H 1.703 0.005 2 92 80 8 LYS HE3 H 3.062 0.005 1 93 80 8 LYS C C 176.606 0 1 94 80 8 LYS CA C 55.031 0.052 1 95 80 8 LYS CB C 34.04 0.056 1 96 80 8 LYS CG C 25.193 0 1 97 80 8 LYS CD C 30.855 0.026 1 98 80 8 LYS CE C 43.136 0 1 99 80 8 LYS N N 129.842 0.04 1 100 81 9 ILE H H 7.898 0.002 1 101 81 9 ILE HA H 4.12 0.005 1 102 81 9 ILE HB H 1.951 0.006 1 103 81 9 ILE HG12 H 1.341 0.007 2 104 81 9 ILE HG13 H 1.094 0.004 2 105 81 9 ILE HG2 H 0.831 0.004 1 106 81 9 ILE HD1 H 0.786 0.005 1 107 81 9 ILE C C 175.626 0 1 108 81 9 ILE CA C 61.708 0.072 1 109 81 9 ILE CB C 39.034 0.039 1 110 81 9 ILE CG1 C 27.031 0.131 1 111 81 9 ILE CG2 C 19.222 0.1 1 112 81 9 ILE CD1 C 14.436 0.118 1 113 81 9 ILE N N 121.744 0.02 1 114 82 10 GLN H H 7.584 0.01 1 115 82 10 GLN HA H 4.231 0.006 1 116 82 10 GLN HB2 H 1.931 0.003 2 117 82 10 GLN HB3 H 2.002 0 2 118 82 10 GLN HG2 H 2.453 0.003 2 119 82 10 GLN HG3 H 2.2 0.006 2 120 82 10 GLN HE21 H 7.984 0.002 1 121 82 10 GLN HE22 H 6.581 0.001 1 122 82 10 GLN C C 175.464 0 1 123 82 10 GLN CA C 55.454 0.066 1 124 82 10 GLN CB C 30.224 0.06 1 125 82 10 GLN CG C 34.136 0.043 1 126 82 10 GLN N N 120.014 0.059 1 127 82 10 GLN NE2 N 112.508 0.038 1 128 83 11 ALA H H 8.875 0.002 1 129 83 11 ALA HA H 4.293 0.002 1 130 83 11 ALA HB H 1.344 0.001 1 131 83 11 ALA CA C 51.091 0.064 1 132 83 11 ALA CB C 17.623 0.043 1 133 83 11 ALA N N 126.759 0.052 1 134 84 12 PRO HA H 4.585 0.012 1 135 84 12 PRO HB2 H 2.205 0.006 2 136 84 12 PRO HB3 H 2.379 0.014 2 137 84 12 PRO HG2 H 1.952 0.003 2 138 84 12 PRO HG3 H 2.183 0.006 2 139 84 12 PRO HD2 H 3.492 0.002 2 140 84 12 PRO HD3 H 3.585 0.003 2 141 84 12 PRO C C 176.167 0 1 142 84 12 PRO CA C 62.261 0.071 1 143 84 12 PRO CB C 33.443 0.061 1 144 84 12 PRO CG C 25.456 0.069 1 145 84 12 PRO CD C 50.714 0.059 1 146 85 13 LYS H H 8.56 0.004 1 147 85 13 LYS HA H 3.948 0.006 1 148 85 13 LYS HB2 H 1.67 0 2 149 85 13 LYS HB3 H 1.827 0 2 150 85 13 LYS HG2 H 1.17 0 2 151 85 13 LYS HG3 H 1.156 0.003 2 152 85 13 LYS HD3 H 1.62 0 1 153 85 13 LYS HE3 H 2.954 0.003 1 154 85 13 LYS C C 177.396 0 1 155 85 13 LYS CA C 57.069 0.024 1 156 85 13 LYS CB C 34.496 0.022 1 157 85 13 LYS CG C 25.743 0.048 1 158 85 13 LYS CD C 29.692 0 1 159 85 13 LYS CE C 42.255 0 1 160 85 13 LYS N N 126.138 0.064 1 161 86 14 PHE H H 7.438 0.001 1 162 86 14 PHE HA H 4.895 0.003 1 163 86 14 PHE HB2 H 3.195 0.007 2 164 86 14 PHE HB3 H 3.349 0.008 2 165 86 14 PHE HD1 H 7.237 0.004 3 166 86 14 PHE HD2 H 7.237 0.004 3 167 86 14 PHE HE1 H 6.919 0.021 3 168 86 14 PHE HE2 H 6.919 0.021 3 169 86 14 PHE HZ H 7.13 0 1 170 86 14 PHE C C 173.939 0 1 171 86 14 PHE CA C 57.643 0.024 1 172 86 14 PHE CB C 41.148 0.069 1 173 86 14 PHE N N 111.978 0.018 1 174 87 15 SER H H 8.677 0.002 1 175 87 15 SER HA H 5.405 0.002 1 176 87 15 SER HB2 H 3.797 0.004 2 177 87 15 SER HB3 H 3.632 0.003 2 178 87 15 SER C C 173.898 0 1 179 87 15 SER CA C 58.061 0.04 1 180 87 15 SER CB C 64.256 0.041 1 181 87 15 SER N N 115.564 0.024 1 182 88 16 ILE H H 9.095 0.001 1 183 88 16 ILE HA H 4.798 0.007 1 184 88 16 ILE HB H 1.959 0.013 1 185 88 16 ILE HG12 H 1.546 0.004 2 186 88 16 ILE HG13 H 1.258 0.004 2 187 88 16 ILE HG2 H 0.946 0.004 1 188 88 16 ILE HD1 H 0.589 0.004 1 189 88 16 ILE C C 174.027 0 1 190 88 16 ILE CA C 60.042 0.048 1 191 88 16 ILE CB C 42.24 0.103 1 192 88 16 ILE CG1 C 26.811 0.048 1 193 88 16 ILE CG2 C 17.612 0.066 1 194 88 16 ILE CD1 C 13.47 0.042 1 195 88 16 ILE N N 123.84 0.021 1 196 89 17 GLU H H 8.746 0.003 1 197 89 17 GLU HA H 5.441 0.005 1 198 89 17 GLU HB2 H 1.9 0 2 199 89 17 GLU HB3 H 1.864 0 2 200 89 17 GLU HG2 H 2.445 0.006 2 201 89 17 GLU HG3 H 2.259 0.004 2 202 89 17 GLU C C 176.215 0 1 203 89 17 GLU CA C 54.368 0.039 1 204 89 17 GLU CB C 32.877 0.046 1 205 89 17 GLU CG C 36.457 0.073 1 206 89 17 GLU N N 122.983 0.035 1 207 90 18 HIS H H 8.563 0.005 1 208 90 18 HIS HA H 4.382 0.007 1 209 90 18 HIS HB2 H 2.225 0 2 210 90 18 HIS HB3 H 2.604 0.002 2 211 90 18 HIS HE1 H 6.193 0 1 212 90 18 HIS C C 170.831 0 1 213 90 18 HIS CA C 55.556 0.031 1 214 90 18 HIS CB C 32.407 0.105 1 215 90 18 HIS N N 119.673 0.064 1 216 91 19 ASP H H 7.105 0.002 1 217 91 19 ASP HA H 5.178 0.005 1 218 91 19 ASP HB2 H 2.283 0.008 2 219 91 19 ASP HB3 H 2.113 0.003 2 220 91 19 ASP C C 174.255 0 1 221 91 19 ASP CA C 53.545 0.069 1 222 91 19 ASP CB C 42.216 0.029 1 223 91 19 ASP N N 123.526 0.038 1 224 92 20 PHE H H 8.549 0.002 1 225 92 20 PHE HA H 4.632 0.004 1 226 92 20 PHE HB2 H 2.326 0 2 227 92 20 PHE HB3 H 3.511 0.003 2 228 92 20 PHE HD1 H 7.331 0.008 3 229 92 20 PHE HD2 H 7.331 0.008 3 230 92 20 PHE HE1 H 6.951 0.007 3 231 92 20 PHE HE2 H 6.951 0.007 3 232 92 20 PHE HZ H 6.673 0.007 1 233 92 20 PHE C C 175 0 1 234 92 20 PHE CA C 57.004 0.063 1 235 92 20 PHE CB C 43.257 0.017 1 236 92 20 PHE N N 120.489 0.026 1 237 93 21 SER H H 9.151 0.002 1 238 93 21 SER HA H 4.905 0.003 1 239 93 21 SER HB2 H 3.861 0.011 2 240 93 21 SER HB3 H 3.976 0.003 2 241 93 21 SER CA C 56.003 0 1 242 93 21 SER CB C 63.75 0.072 1 243 93 21 SER N N 119.485 0.044 1 244 94 22 PRO HA H 4.218 0.004 1 245 94 22 PRO HB2 H 2.294 0 2 246 94 22 PRO HB3 H 2.015 0.001 2 247 94 22 PRO HG2 H 2.14 0 2 248 94 22 PRO HG3 H 2.039 0 2 249 94 22 PRO HD2 H 3.899 0 2 250 94 22 PRO HD3 H 3.987 0.003 2 251 94 22 PRO C C 175.58 0 1 252 94 22 PRO CA C 65.045 0.078 1 253 94 22 PRO CB C 31.885 0.095 1 254 94 22 PRO CG C 27.859 0 1 255 94 22 PRO CD C 50.788 0.075 1 256 95 23 SER H H 7.554 0.002 1 257 95 23 SER HA H 4.554 0.005 1 258 95 23 SER HB2 H 4.048 0.001 2 259 95 23 SER HB3 H 3.784 0.003 2 260 95 23 SER C C 174.932 0 1 261 95 23 SER CA C 57.942 0.056 1 262 95 23 SER CB C 63.657 0.074 1 263 95 23 SER N N 106.869 0.033 1 264 96 24 ASP H H 7.745 0.002 1 265 96 24 ASP HA H 4.95 0.006 1 266 96 24 ASP HB2 H 2.636 0.003 2 267 96 24 ASP HB3 H 3.162 0.011 2 268 96 24 ASP C C 175.682 0 1 269 96 24 ASP CA C 55.407 0.043 1 270 96 24 ASP CB C 41.738 0.044 1 271 96 24 ASP N N 122.649 0.038 1 272 97 25 THR H H 8.387 0.003 1 273 97 25 THR HA H 5.361 0.008 1 274 97 25 THR HB H 4.36 0.003 1 275 97 25 THR HG2 H 0.735 0.008 1 276 97 25 THR C C 176.916 0 1 277 97 25 THR CA C 59.409 0.079 1 278 97 25 THR CB C 73.172 0.078 1 279 97 25 THR CG2 C 21.737 0.047 1 280 97 25 THR N N 108.285 0.038 1 281 98 26 ILE H H 7.967 0.003 1 282 98 26 ILE HA H 3.477 0.004 1 283 98 26 ILE HB H 2.427 0.007 1 284 98 26 ILE HG12 H 1.343 0.003 2 285 98 26 ILE HG13 H 1.7 0.007 2 286 98 26 ILE HG2 H 0.676 0.005 1 287 98 26 ILE HD1 H 0.491 0.005 1 288 98 26 ILE C C 178.532 0 1 289 98 26 ILE CA C 61.502 0.049 1 290 98 26 ILE CB C 34.733 0.078 1 291 98 26 ILE CG1 C 27.963 0.136 1 292 98 26 ILE CG2 C 17.883 0.055 1 293 98 26 ILE CD1 C 9.694 0.049 1 294 98 26 ILE N N 120.905 0.04 1 295 99 27 LEU H H 8.146 0.006 1 296 99 27 LEU HA H 3.808 0.005 1 297 99 27 LEU HB2 H 1.435 0 2 298 99 27 LEU HB3 H 1.681 0.008 2 299 99 27 LEU HG H 1.45 0.005 1 300 99 27 LEU HD1 H 0.825 0 2 301 99 27 LEU HD2 H 0.887 0.009 2 302 99 27 LEU C C 178.52 0 1 303 99 27 LEU CA C 58.756 0.037 1 304 99 27 LEU CB C 42.196 0.076 1 305 99 27 LEU CG C 26.797 0.074 1 306 99 27 LEU CD1 C 25.345 0 2 307 99 27 LEU CD2 C 23.848 0.05 2 308 99 27 LEU N N 121.596 0.033 1 309 100 28 GLN H H 7.547 0.003 1 310 100 28 GLN HA H 4.217 0.006 1 311 100 28 GLN HB2 H 2.621 0.005 2 312 100 28 GLN HB3 H 2.167 0.004 2 313 100 28 GLN HG2 H 2.654 0.003 2 314 100 28 GLN HG3 H 2.474 0.002 2 315 100 28 GLN HE21 H 7.628 0.002 1 316 100 28 GLN HE22 H 7.026 0.005 1 317 100 28 GLN C C 179.915 0 1 318 100 28 GLN CA C 59.866 0.033 1 319 100 28 GLN CB C 28.827 0.054 1 320 100 28 GLN CG C 36.936 0.043 1 321 100 28 GLN N N 116.74 0.027 1 322 100 28 GLN NE2 N 113.802 0.071 1 323 101 29 ILE H H 7.642 0.008 1 324 101 29 ILE HA H 3.575 0.001 1 325 101 29 ILE HB H 1.843 0.01 1 326 101 29 ILE HG12 H 1.106 0.008 2 327 101 29 ILE HG13 H -0.373 0.01 2 328 101 29 ILE HG2 H 0.597 0.007 1 329 101 29 ILE HD1 H 0.208 0.004 1 330 101 29 ILE C C 178.236 0 1 331 101 29 ILE CA C 65.552 0.081 1 332 101 29 ILE CB C 36.201 0.071 1 333 101 29 ILE CG1 C 26.006 0.058 1 334 101 29 ILE CG2 C 18.743 0.051 1 335 101 29 ILE CD1 C 13.401 0.044 1 336 101 29 ILE N N 121.411 0.076 1 337 102 30 LYS H H 7.629 0.004 1 338 102 30 LYS HA H 3.778 0.01 1 339 102 30 LYS HB2 H 1.661 0 2 340 102 30 LYS HB3 H 2.248 0.002 2 341 102 30 LYS C C 178.158 0 1 342 102 30 LYS CA C 61.662 0.066 1 343 102 30 LYS CB C 32.818 0.001 1 344 102 30 LYS N N 118.936 0.061 1 345 103 31 GLN H H 8.573 0.002 1 346 103 31 GLN HA H 3.816 0 1 347 103 31 GLN HB2 H 2.033 0.004 2 348 103 31 GLN HB3 H 2.258 0.015 2 349 103 31 GLN HG2 H 2.33 0.005 2 350 103 31 GLN HG3 H 2.457 0.006 2 351 103 31 GLN HE21 H 7.194 0.002 1 352 103 31 GLN HE22 H 6.746 0.004 1 353 103 31 GLN C C 178.791 0 1 354 103 31 GLN CA C 58.948 0.023 1 355 103 31 GLN CB C 27.906 0.02 1 356 103 31 GLN CG C 33.928 0.004 1 357 103 31 GLN N N 116.389 0.039 1 358 103 31 GLN NE2 N 109.896 0.039 1 359 104 32 HIS H H 8.082 0.002 1 360 104 32 HIS HA H 4.276 0.002 1 361 104 32 HIS HB2 H 3.492 0.004 2 362 104 32 HIS HB3 H 3.304 0.005 2 363 104 32 HIS HE1 H 6.189 0.005 1 364 104 32 HIS C C 177.137 0 1 365 104 32 HIS CA C 60.288 0.082 1 366 104 32 HIS CB C 30.104 0.047 1 367 104 32 HIS N N 121.239 0.014 1 368 105 33 LEU H H 7.6 0.005 1 369 105 33 LEU HA H 3.549 0.011 1 370 105 33 LEU HB2 H 0.977 0.01 2 371 105 33 LEU HB3 H 2.241 0.008 2 372 105 33 LEU HG H 1.888 0.002 1 373 105 33 LEU HD1 H 0.946 0.002 2 374 105 33 LEU HD2 H 0.939 0 2 375 105 33 LEU C C 178.374 0 1 376 105 33 LEU CA C 58.148 0.046 1 377 105 33 LEU CB C 41.753 0.033 1 378 105 33 LEU CG C 27.213 0 1 379 105 33 LEU CD1 C 28.082 0.066 2 380 105 33 LEU CD2 C 25.795 0.026 2 381 105 33 LEU N N 117.244 0.047 1 382 106 34 ILE H H 7.535 0.004 1 383 106 34 ILE HA H 3.893 0.006 1 384 106 34 ILE HB H 1.956 0.006 1 385 106 34 ILE HG12 H 0.87 0.001 2 386 106 34 ILE HG13 H 1.34 0.001 2 387 106 34 ILE HG2 H 0.796 0.001 1 388 106 34 ILE HD1 H 0.403 0.007 1 389 106 34 ILE C C 180.618 0 1 390 106 34 ILE CA C 63.686 0.02 1 391 106 34 ILE CB C 36.964 0.12 1 392 106 34 ILE CG1 C 28.268 0.117 1 393 106 34 ILE CG2 C 16.904 0.085 1 394 106 34 ILE CD1 C 12.583 0.052 1 395 106 34 ILE N N 119.95 0.038 1 396 107 35 SER H H 8.337 0.008 1 397 107 35 SER HA H 4.184 0.002 1 398 107 35 SER HB3 H 3.932 0 1 399 107 35 SER C C 175.846 0 1 400 107 35 SER CA C 61.955 0.055 1 401 107 35 SER CB C 62.631 0 1 402 107 35 SER N N 120.726 0.015 1 403 108 36 GLU H H 7.305 0.003 1 404 108 36 GLU HA H 4.164 0.003 1 405 108 36 GLU HB2 H 1.338 0.003 2 406 108 36 GLU HB3 H 2.16 0.002 2 407 108 36 GLU HG3 H 1.571 0.003 1 408 108 36 GLU C C 174.459 0 1 409 108 36 GLU CA C 55.63 0 1 410 108 36 GLU CB C 29.188 0.074 1 411 108 36 GLU CG C 35.774 0 1 412 108 36 GLU N N 117.665 0.023 1 413 109 37 GLU H H 8.059 0.002 1 414 109 37 GLU HA H 3.92 0 1 415 109 37 GLU HB2 H 2.126 0 2 416 109 37 GLU HB3 H 2.185 0 2 417 109 37 GLU HG3 H 2.113 0 1 418 109 37 GLU C C 176.299 0 1 419 109 37 GLU CA C 57.372 0 1 420 109 37 GLU CB C 26.41 0.017 1 421 109 37 GLU CG C 36.904 0 1 422 109 37 GLU N N 113.644 0.019 1 423 110 38 LYS H H 8.062 0.003 1 424 110 38 LYS HA H 4.234 0 1 425 110 38 LYS HB2 H 1.395 0 2 426 110 38 LYS HB3 H 1.783 0 2 427 110 38 LYS C C 175.156 0 1 428 110 38 LYS CA C 54.353 0 1 429 110 38 LYS CB C 31.553 0.024 1 430 110 38 LYS N N 113.222 0.013 1 431 111 39 ALA H H 7.433 0.001 1 432 111 39 ALA HA H 4.385 0.001 1 433 111 39 ALA HB H 1.273 0.004 1 434 111 39 ALA C C 175.282 0 1 435 111 39 ALA CA C 50.535 0.053 1 436 111 39 ALA CB C 21.839 0.016 1 437 111 39 ALA N N 116.451 0.012 1 438 112 40 SER H H 9.058 0.002 1 439 112 40 SER HA H 4.587 0.019 1 440 112 40 SER HB2 H 3.817 0.002 2 441 112 40 SER HB3 H 3.661 0.003 2 442 112 40 SER C C 173.732 0 1 443 112 40 SER CA C 59.792 0 1 444 112 40 SER CB C 64.72 0.037 1 445 112 40 SER N N 113.717 0.027 1 446 113 41 HIS H H 7.729 0.005 1 447 113 41 HIS HA H 4.682 0.007 1 448 113 41 HIS HB3 H 2.876 0.003 1 449 113 41 HIS CA C 56.1 0.03 1 450 113 41 HIS CB C 34.065 0.053 1 451 113 41 HIS N N 119.401 0.035 1 452 114 42 ILE H H 8.483 0.002 1 453 114 42 ILE HA H 3.631 0.004 1 454 114 42 ILE HB H 1.799 0.009 1 455 114 42 ILE HG12 H 1.412 0.004 2 456 114 42 ILE HG13 H 1.08 0.006 2 457 114 42 ILE HG2 H 0.817 0 1 458 114 42 ILE HD1 H 0.77 0 1 459 114 42 ILE C C 177.651 0 1 460 114 42 ILE CA C 65.086 0.055 1 461 114 42 ILE CB C 38.033 0.072 1 462 114 42 ILE CG1 C 27.296 0.042 1 463 114 42 ILE CG2 C 18.12 0.057 1 464 114 42 ILE CD1 C 13.914 0.041 1 465 114 42 ILE N N 124.611 0.045 1 466 115 43 SER H H 9.233 0.004 1 467 115 43 SER HA H 4.22 0.001 1 468 115 43 SER HB3 H 4.031 0.004 1 469 115 43 SER C C 175.398 0 1 470 115 43 SER CA C 60.679 0 1 471 115 43 SER CB C 62.893 0 1 472 115 43 SER N N 117.266 0.036 1 473 116 44 GLU H H 7.691 0.004 1 474 116 44 GLU HA H 4.29 0.003 1 475 116 44 GLU HB3 H 2.099 0 1 476 116 44 GLU HG2 H 2.455 0.006 2 477 116 44 GLU HG3 H 2.28 0.003 2 478 116 44 GLU C C 175.571 0 1 479 116 44 GLU CA C 56.754 0.05 1 480 116 44 GLU CB C 31.111 0 1 481 116 44 GLU CG C 37.45 0.037 1 482 116 44 GLU N N 119.464 0.022 1 483 117 45 ILE H H 7.339 0.005 1 484 117 45 ILE HA H 4.528 0.007 1 485 117 45 ILE HB H 1.629 0.001 1 486 117 45 ILE HG12 H 1.67 0 2 487 117 45 ILE HG13 H 0.568 0.004 2 488 117 45 ILE HG2 H 0.721 0.001 1 489 117 45 ILE HD1 H 0.768 0 1 490 117 45 ILE C C 174.896 0 1 491 117 45 ILE CA C 61.279 0.142 1 492 117 45 ILE CB C 41.019 0.092 1 493 117 45 ILE CG1 C 27.032 0.069 1 494 117 45 ILE CG2 C 19.434 0.045 1 495 117 45 ILE CD1 C 15.991 0.063 1 496 117 45 ILE N N 116.98 0.029 1 497 118 46 LYS H H 9.056 0.006 1 498 118 46 LYS HA H 4.53 0.003 1 499 118 46 LYS HB2 H 1.469 0.01 2 500 118 46 LYS HB3 H 1.582 0 2 501 118 46 LYS HG2 H 1.29 0.007 2 502 118 46 LYS HG3 H 1.436 0.003 2 503 118 46 LYS HD3 H 1.458 0 1 504 118 46 LYS HE3 H 2.897 0.003 1 505 118 46 LYS C C 174.183 0 1 506 118 46 LYS CA C 54.823 0.058 1 507 118 46 LYS CB C 35.508 0.052 1 508 118 46 LYS CG C 24.833 0.047 1 509 118 46 LYS CD C 29.484 0 1 510 118 46 LYS CE C 41.836 0 1 511 118 46 LYS N N 127.356 0.018 1 512 119 47 LEU H H 8.469 0.002 1 513 119 47 LEU HA H 5.352 0.006 1 514 119 47 LEU HB2 H 1.547 0 2 515 119 47 LEU HB3 H 1.091 0 2 516 119 47 LEU HG H 1.532 0 1 517 119 47 LEU HD1 H 0.774 0.005 2 518 119 47 LEU HD2 H 0.719 0.001 2 519 119 47 LEU C C 175.02 0 1 520 119 47 LEU CA C 52.535 0.037 1 521 119 47 LEU CB C 44.387 0.068 1 522 119 47 LEU CG C 27.461 0 1 523 119 47 LEU CD1 C 25.296 0.036 2 524 119 47 LEU CD2 C 27.904 0.072 2 525 119 47 LEU N N 121.663 0.041 1 526 120 48 LEU H H 8.942 0.003 1 527 120 48 LEU HA H 5.502 0.005 1 528 120 48 LEU HB2 H 1.318 0.009 2 529 120 48 LEU HB3 H 1.457 0.005 2 530 120 48 LEU HG H 1.437 0.004 1 531 120 48 LEU HD1 H 0.603 0.002 2 532 120 48 LEU HD2 H 0.651 0.007 2 533 120 48 LEU C C 175.924 0 1 534 120 48 LEU CA C 54.33 0.047 1 535 120 48 LEU CB C 46.376 0.084 1 536 120 48 LEU CG C 29.297 0.047 1 537 120 48 LEU CD1 C 28.096 0.034 2 538 120 48 LEU CD2 C 25.792 0.07 2 539 120 48 LEU N N 120.607 0.036 1 540 121 49 LEU H H 8.406 0.002 1 541 121 49 LEU HA H 4.841 0.003 1 542 121 49 LEU HB2 H 1.108 0.007 2 543 121 49 LEU HB3 H 1.849 0.008 2 544 121 49 LEU HG H 1.426 0.014 1 545 121 49 LEU HD1 H 0.837 0.006 2 546 121 49 LEU HD2 H 0.824 0.004 2 547 121 49 LEU C C 176.064 0 1 548 121 49 LEU CA C 53.676 0.053 1 549 121 49 LEU CB C 44.753 0.088 1 550 121 49 LEU CG C 27.302 0.03 1 551 121 49 LEU CD1 C 26.781 0.082 2 552 121 49 LEU CD2 C 23.357 0.006 2 553 121 49 LEU N N 121.636 0.019 1 554 122 50 LYS H H 9.434 0.002 1 555 122 50 LYS HA H 3.682 0.005 1 556 122 50 LYS HB2 H 1.966 0 2 557 122 50 LYS HB3 H 1.913 0 2 558 122 50 LYS HG2 H 1.456 0 2 559 122 50 LYS HG3 H 1.511 0 2 560 122 50 LYS HD3 H 1.737 0 1 561 122 50 LYS HE3 H 3.057 0.011 1 562 122 50 LYS C C 175.379 0 1 563 122 50 LYS CA C 58.054 0.042 1 564 122 50 LYS CB C 30.613 0.055 1 565 122 50 LYS CG C 25.333 0 1 566 122 50 LYS CD C 29.254 0 1 567 122 50 LYS CE C 42.111 0.013 1 568 122 50 LYS N N 128.742 0.021 1 569 123 51 GLY H H 8.509 0.004 1 570 123 51 GLY HA2 H 4.245 0.006 2 571 123 51 GLY HA3 H 3.61 0.008 2 572 123 51 GLY C C 171.609 0 1 573 123 51 GLY CA C 45.358 0.065 1 574 123 51 GLY N N 107.773 0.025 1 575 124 52 LYS H H 7.633 0.005 1 576 124 52 LYS HA H 4.176 0.008 1 577 124 52 LYS HB2 H 1.847 0.002 2 578 124 52 LYS HB3 H 1.574 0.008 2 579 124 52 LYS HG2 H 1.348 0.002 2 580 124 52 LYS HG3 H 1.103 0.004 2 581 124 52 LYS HD3 H 1.595 0 1 582 124 52 LYS HE2 H 3.017 0 2 583 124 52 LYS HE3 H 2.92 0.005 2 584 124 52 LYS C C 175.449 0 1 585 124 52 LYS CA C 55.138 0.085 1 586 124 52 LYS CB C 34.446 0.066 1 587 124 52 LYS CG C 24.398 0.056 1 588 124 52 LYS CD C 29.629 0 1 589 124 52 LYS CE C 41.764 0 1 590 124 52 LYS N N 121.601 0.045 1 591 125 53 VAL H H 8.835 0.004 1 592 125 53 VAL HA H 3.931 0.013 1 593 125 53 VAL HB H 1.983 0.003 1 594 125 53 VAL HG2 H 0.73 0 1 595 125 53 VAL C C 176.035 0 1 596 125 53 VAL CA C 63.302 0.077 1 597 125 53 VAL CB C 30.955 0.029 1 598 125 53 VAL CG2 C 21.542 0.08 1 599 125 53 VAL N N 127.337 0.063 1 600 126 54 LEU H H 8.593 0.003 1 601 126 54 LEU HA H 4.237 0.006 1 602 126 54 LEU HB2 H 1.633 0 2 603 126 54 LEU HB3 H 1.08 0.004 2 604 126 54 LEU HG H 1.688 0 1 605 126 54 LEU HD1 H 0.648 0.006 2 606 126 54 LEU HD2 H 0.626 0.005 2 607 126 54 LEU C C 175.754 0 1 608 126 54 LEU CA C 53.876 0.103 1 609 126 54 LEU CB C 42.382 0.066 1 610 126 54 LEU CG C 26.678 0 1 611 126 54 LEU CD1 C 25.882 0.085 2 612 126 54 LEU CD2 C 21.99 0.071 2 613 126 54 LEU N N 128.307 0.034 1 614 127 55 HIS H H 7.94 0.003 1 615 127 55 HIS HA H 4.665 0.005 1 616 127 55 HIS HB2 H 3.016 0.001 2 617 127 55 HIS HB3 H 3.342 0.004 2 618 127 55 HIS C C 175.518 0 1 619 127 55 HIS CA C 55.267 0.008 1 620 127 55 HIS CB C 30.296 0 1 621 127 55 HIS N N 122.022 0.031 1 622 128 56 ASP H H 8.096 0.005 1 623 128 56 ASP HA H 4.104 0.004 1 624 128 56 ASP HB2 H 2.441 0 2 625 128 56 ASP HB3 H 2.471 0 2 626 128 56 ASP C C 175.91 0 1 627 128 56 ASP CA C 57.746 0.093 1 628 128 56 ASP CB C 41.632 0.062 1 629 128 56 ASP N N 118.662 0.043 1 630 129 57 ASN H H 8.106 0.001 1 631 129 57 ASN HA H 4.477 0.003 1 632 129 57 ASN HB2 H 2.691 0 2 633 129 57 ASN HB3 H 2.886 0 2 634 129 57 ASN HD21 H 7.521 0.002 1 635 129 57 ASN HD22 H 6.758 0.003 1 636 129 57 ASN C C 174.932 0 1 637 129 57 ASN CA C 52.799 0.05 1 638 129 57 ASN CB C 37.666 0.023 1 639 129 57 ASN N N 111.422 0.038 1 640 129 57 ASN ND2 N 112.123 0 1 641 130 58 LEU H H 7.23 0.001 1 642 130 58 LEU HA H 4.153 0.006 1 643 130 58 LEU HB2 H 1.554 0 2 644 130 58 LEU HB3 H 1.667 0.005 2 645 130 58 LEU HG H 1.001 0.004 1 646 130 58 LEU HD2 H 0.838 0.01 1 647 130 58 LEU C C 176.436 0 1 648 130 58 LEU CA C 55.404 0.045 1 649 130 58 LEU CB C 42.615 0.035 1 650 130 58 LEU CG C 25.738 0.026 1 651 130 58 LEU CD2 C 24.869 0 1 652 130 58 LEU N N 121.76 0.025 1 653 131 59 PHE H H 8.635 0.003 1 654 131 59 PHE HA H 4.804 0.004 1 655 131 59 PHE HB2 H 3.294 0.004 2 656 131 59 PHE HB3 H 2.866 0.006 2 657 131 59 PHE HD1 H 7.35 0.003 3 658 131 59 PHE HD2 H 7.35 0.003 3 659 131 59 PHE C C 178.676 0 1 660 131 59 PHE CA C 57.876 0.066 1 661 131 59 PHE CB C 40.187 0.051 1 662 131 59 PHE N N 121.73 0.024 1 663 132 60 LEU H H 8.996 0.004 1 664 132 60 LEU HA H 3.924 0.004 1 665 132 60 LEU HB2 H 1.409 0.006 2 666 132 60 LEU HB3 H 1.961 0.004 2 667 132 60 LEU HG H 1.528 0.002 1 668 132 60 LEU HD1 H 0.54 0.004 2 669 132 60 LEU HD2 H 0.68 0.005 2 670 132 60 LEU C C 180.292 0 1 671 132 60 LEU CA C 57.941 0.091 1 672 132 60 LEU CB C 40.414 0.057 1 673 132 60 LEU CG C 27.87 0.095 1 674 132 60 LEU CD1 C 23.71 0.028 2 675 132 60 LEU CD2 C 25.688 0.059 2 676 132 60 LEU N N 122.611 0.029 1 677 133 61 SER H H 8.656 0.003 1 678 133 61 SER HA H 4.167 0.007 1 679 133 61 SER HB2 H 3.8 0.008 2 680 133 61 SER HB3 H 3.984 0.003 2 681 133 61 SER C C 175.71 0 1 682 133 61 SER CA C 60.428 0 1 683 133 61 SER CB C 62.778 0 1 684 133 61 SER N N 113.01 0.019 1 685 134 62 ASP H H 7.82 0.002 1 686 134 62 ASP HA H 4.743 0.007 1 687 134 62 ASP HB2 H 2.866 0.005 2 688 134 62 ASP HB3 H 3.005 0.004 2 689 134 62 ASP C C 176.724 0 1 690 134 62 ASP CA C 55.67 0 1 691 134 62 ASP CB C 41.552 0.073 1 692 134 62 ASP N N 121.118 0.026 1 693 135 63 LEU H H 7.547 0.004 1 694 135 63 LEU HA H 4.218 0.004 1 695 135 63 LEU HB2 H 1.535 0.005 2 696 135 63 LEU HB3 H 1.776 0.004 2 697 135 63 LEU HG H 1.762 0.001 1 698 135 63 LEU HD1 H 0.776 0 2 699 135 63 LEU HD2 H 0.749 0 2 700 135 63 LEU C C 176.527 0 1 701 135 63 LEU CA C 55.406 0.104 1 702 135 63 LEU CB C 43.175 0.034 1 703 135 63 LEU CG C 26.884 0.054 1 704 135 63 LEU CD1 C 23.371 0 2 705 135 63 LEU CD2 C 24.158 0 2 706 135 63 LEU N N 119.63 0.045 1 707 136 64 LYS H H 8.167 0.006 1 708 136 64 LYS HA H 4.211 0.005 1 709 136 64 LYS HB3 H 1.845 0.001 1 710 136 64 LYS HG2 H 1.439 0 2 711 136 64 LYS HG3 H 1.372 0.002 2 712 136 64 LYS HE3 H 3.02 0.005 1 713 136 64 LYS C C 176.105 0 1 714 136 64 LYS CA C 55.952 0.099 1 715 136 64 LYS CB C 29.482 0.144 1 716 136 64 LYS CG C 24.648 0 1 717 136 64 LYS CE C 42.292 0.024 1 718 136 64 LYS N N 120.76 0.04 1 719 137 65 VAL H H 7.807 0.002 1 720 137 65 VAL HA H 4.347 0.008 1 721 137 65 VAL HB H 2.103 0.013 1 722 137 65 VAL HG2 H 0.837 0.007 1 723 137 65 VAL C C 176.506 0 1 724 137 65 VAL CA C 62.256 0.135 1 725 137 65 VAL CB C 32.676 0.057 1 726 137 65 VAL CG2 C 20.075 0 1 727 137 65 VAL N N 117.249 0.044 1 728 138 66 THR H H 7.738 0.003 1 729 138 66 THR HA H 4.852 0.005 1 730 138 66 THR HB H 4.549 0.003 1 731 138 66 THR HG2 H 1.231 0.003 1 732 138 66 THR CA C 59.079 0.065 1 733 138 66 THR CB C 69.773 0.072 1 734 138 66 THR CG2 C 22.033 0.029 1 735 138 66 THR N N 116.022 0.057 1 736 139 67 PRO HA H 4.308 0.009 1 737 139 67 PRO HB2 H 1.899 0.001 2 738 139 67 PRO HB3 H 2.403 0.006 2 739 139 67 PRO HG2 H 2.031 0.002 2 740 139 67 PRO HG3 H 2.188 0.001 2 741 139 67 PRO HD2 H 3.791 0 2 742 139 67 PRO HD3 H 3.86 0.008 2 743 139 67 PRO C C 178.152 0 1 744 139 67 PRO CA C 66.248 0.094 1 745 139 67 PRO CB C 31.545 0.102 1 746 139 67 PRO CG C 28.035 0 1 747 139 67 PRO CD C 50.365 0 1 748 140 68 ALA H H 7.721 0.005 1 749 140 68 ALA HA H 4.344 0.003 1 750 140 68 ALA HB H 1.361 0.003 1 751 140 68 ALA C C 176.946 0 1 752 140 68 ALA CA C 53.064 0.063 1 753 140 68 ALA CB C 19.104 0.072 1 754 140 68 ALA N N 116.471 0.076 1 755 141 69 ASN H H 7.999 0.001 1 756 141 69 ASN HA H 5.058 0.004 1 757 141 69 ASN HB2 H 2.959 0.004 2 758 141 69 ASN HB3 H 2.545 0.004 2 759 141 69 ASN HD21 H 7.384 0.004 1 760 141 69 ASN HD22 H 6.545 0.003 1 761 141 69 ASN C C 173.598 0 1 762 141 69 ASN CA C 52.184 0.038 1 763 141 69 ASN CB C 38.805 0.047 1 764 141 69 ASN N N 119.643 0.041 1 765 141 69 ASN ND2 N 110.302 0.028 1 766 142 70 SER H H 8.148 0.001 1 767 142 70 SER HA H 4.544 0 1 768 142 70 SER HB2 H 4.066 0.001 2 769 142 70 SER HB3 H 4.38 0.004 2 770 142 70 SER C C 173.032 0 1 771 142 70 SER CA C 57.555 0 1 772 142 70 SER CB C 63.552 0.071 1 773 142 70 SER N N 112.421 0.037 1 774 143 71 THR H H 8.074 0.004 1 775 143 71 THR HA H 5.075 0.003 1 776 143 71 THR HB H 4.03 0.005 1 777 143 71 THR HG2 H 1.019 0.012 1 778 143 71 THR C C 173.964 0 1 779 143 71 THR CA C 62.078 0.052 1 780 143 71 THR CB C 69.603 0.018 1 781 143 71 THR CG2 C 21.691 0.029 1 782 143 71 THR N N 117.654 0.06 1 783 144 72 ILE H H 9.602 0.009 1 784 144 72 ILE HA H 4.575 0.008 1 785 144 72 ILE HB H 1.968 0.007 1 786 144 72 ILE HG12 H 1.216 0.001 2 787 144 72 ILE HG13 H 1.264 0.007 2 788 144 72 ILE HG2 H 0.782 0.002 1 789 144 72 ILE HD1 H 0.563 0.011 1 790 144 72 ILE C C 175.087 0 1 791 144 72 ILE CA C 58.147 0.048 1 792 144 72 ILE CB C 39.03 0.037 1 793 144 72 ILE CG1 C 28.369 0.025 1 794 144 72 ILE CG2 C 18.837 0.066 1 795 144 72 ILE CD1 C 11.261 0.064 1 796 144 72 ILE N N 131.205 0.057 1 797 145 73 THR H H 9.285 0.003 1 798 145 73 THR HA H 4.708 0 1 799 145 73 THR HB H 4.029 0.003 1 800 145 73 THR HG2 H 1.16 0.002 1 801 145 73 THR C C 173.235 0 1 802 145 73 THR CA C 62.863 0 1 803 145 73 THR CB C 69.311 0.04 1 804 145 73 THR CG2 C 22.168 0.032 1 805 145 73 THR N N 126.016 0.035 1 806 146 74 VAL H H 8.809 0.002 1 807 146 74 VAL HA H 4.376 0.005 1 808 146 74 VAL HB H 1.584 0.01 1 809 146 74 VAL HG2 H 0.814 0.009 1 810 146 74 VAL C C 174.72 0 1 811 146 74 VAL CA C 61.093 0.102 1 812 146 74 VAL CB C 33.238 0.074 1 813 146 74 VAL CG2 C 21.272 0.026 1 814 146 74 VAL N N 127.764 0.05 1 815 147 75 MET H H 8.979 0.004 1 816 147 75 MET HA H 4.845 0.005 1 817 147 75 MET HB2 H 1.812 0.006 2 818 147 75 MET HB3 H 2.021 0.004 2 819 147 75 MET HG2 H 2.243 0.005 2 820 147 75 MET HG3 H 2.331 0.004 2 821 147 75 MET HE H 1.957 0.001 1 822 147 75 MET C C 175.056 0 1 823 147 75 MET CA C 53.554 0.05 1 824 147 75 MET CB C 33.712 0.056 1 825 147 75 MET CG C 32.08 0 1 826 147 75 MET CE C 17.514 0.008 1 827 147 75 MET N N 126.031 0.049 1 828 148 76 ILE H H 8.843 0.002 1 829 148 76 ILE HA H 5.008 0.007 1 830 148 76 ILE HB H 1.646 0.008 1 831 148 76 ILE HG12 H 1.495 0.001 2 832 148 76 ILE HG13 H 0.998 0.003 2 833 148 76 ILE HG2 H 0.88 0.005 1 834 148 76 ILE HD1 H 0.867 0.002 1 835 148 76 ILE C C 175.189 0 1 836 148 76 ILE CA C 59.337 0.042 1 837 148 76 ILE CB C 40.44 0.054 1 838 148 76 ILE CG1 C 28.195 0.068 1 839 148 76 ILE CG2 C 17.444 0.051 1 840 148 76 ILE CD1 C 13.229 0.062 1 841 148 76 ILE N N 123.749 0.046 1 842 149 77 LYS H H 8.804 0.002 1 843 149 77 LYS HA H 4.793 0.002 1 844 149 77 LYS HB2 H 1.681 0.006 2 845 149 77 LYS HB3 H 1.833 0.005 2 846 149 77 LYS HG2 H 1.36 0.002 2 847 149 77 LYS HG3 H 1.414 0.003 2 848 149 77 LYS HD3 H 1.674 0.001 1 849 149 77 LYS HE3 H 2.982 0.005 1 850 149 77 LYS CA C 53.111 0.045 1 851 149 77 LYS CB C 33.774 0.083 1 852 149 77 LYS CG C 24.486 0.092 1 853 149 77 LYS CD C 29.325 0.148 1 854 149 77 LYS CE C 42.094 0.06 1 855 149 77 LYS N N 130.464 0.041 1 856 150 78 PRO HA H 4.362 0.006 1 857 150 78 PRO HB2 H 2.246 0.004 2 858 150 78 PRO HB3 H 1.794 0.004 2 859 150 78 PRO HG2 H 2.016 0.003 2 860 150 78 PRO HG3 H 1.919 0.001 2 861 150 78 PRO HD2 H 3.774 0.003 2 862 150 78 PRO HD3 H 3.693 0.009 2 863 150 78 PRO C C 176.512 0 1 864 150 78 PRO CA C 62.92 0.062 1 865 150 78 PRO CB C 32.374 0.064 1 866 150 78 PRO CG C 27.442 0.036 1 867 150 78 PRO CD C 51.019 0.077 1 868 151 79 ASN H H 9.085 0.002 1 869 151 79 ASN HA H 4.666 0.001 1 870 151 79 ASN HB2 H 2.742 0.001 2 871 151 79 ASN HB3 H 2.78 0.002 2 872 151 79 ASN HD21 H 7.521 0 1 873 151 79 ASN HD22 H 6.793 0 1 874 151 79 ASN C C 175.416 0 1 875 151 79 ASN CA C 53.153 0.04 1 876 151 79 ASN CB C 38.887 0.052 1 877 151 79 ASN N N 120.773 0.029 1 878 151 79 ASN ND2 N 112.079 0 1 879 152 80 LEU H H 8.224 0.002 1 880 152 80 LEU HA H 4.216 0.005 1 881 152 80 LEU HB2 H 1.552 0 2 882 152 80 LEU HB3 H 1.5 0 2 883 152 80 LEU HG H 1.54 0.002 1 884 152 80 LEU HD1 H 0.852 0.008 2 885 152 80 LEU HD2 H 0.773 0 2 886 152 80 LEU C C 177.346 0 1 887 152 80 LEU CA C 55.429 0.058 1 888 152 80 LEU CB C 42.295 0.065 1 889 152 80 LEU CG C 26.974 0.012 1 890 152 80 LEU CD1 C 24.974 0.005 2 891 152 80 LEU CD2 C 23.362 0.035 2 892 152 80 LEU N N 123.294 0.034 1 893 153 81 GLU H H 8.199 0.004 1 894 153 81 GLU HA H 4.099 0.007 1 895 153 81 GLU HB3 H 1.829 0.006 1 896 153 81 GLU HG2 H 2.131 0.004 2 897 153 81 GLU HG3 H 2.078 0.002 2 898 153 81 GLU CA C 57.021 0.099 1 899 153 81 GLU CB C 29.95 0.022 1 900 153 81 GLU CG C 36.238 0.074 1 901 153 81 GLU N N 120.335 0.017 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details 'These are shifts for chain A' loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D HNCO' '3D (H)CCH-TOCSY' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Sgt2_1 _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 3 ASP H H 8.353 0 1 2 1 3 ASP N N 122.522 0 1 3 2 4 SER H H 8.028 0 1 4 2 4 SER N N 115.259 0 1 5 3 5 ALA H H 8.223 0.002 1 6 3 5 ALA HA H 4.452 0.002 1 7 3 5 ALA HB H 1.271 0.002 1 8 3 5 ALA CA C 52.21 0.007 1 9 3 5 ALA CB C 19.831 0 1 10 3 5 ALA N N 125.713 0.047 1 11 4 6 SER H H 8.761 0.002 1 12 4 6 SER HB2 H 4.079 0 2 13 4 6 SER HB3 H 4.408 0.004 2 14 4 6 SER CB C 65.368 0.009 1 15 4 6 SER N N 118.013 0.02 1 16 5 7 LYS H H 8.893 0.009 1 17 5 7 LYS HA H 4.134 0 1 18 5 7 LYS HB2 H 1.938 0 2 19 5 7 LYS HB3 H 2.1 0 2 20 5 7 LYS HG2 H 1.699 0 2 21 5 7 LYS HG3 H 1.81 0 2 22 5 7 LYS HD2 H 1.838 0.006 2 23 5 7 LYS HD3 H 1.968 0.008 2 24 5 7 LYS HE2 H 3.187 0 2 25 5 7 LYS HE3 H 3.247 0 2 26 5 7 LYS CA C 59.651 0 1 27 5 7 LYS CB C 32.323 0.009 1 28 5 7 LYS CG C 25.387 0.02 1 29 5 7 LYS CD C 29.778 0.118 1 30 5 7 LYS CE C 42.32 0.066 1 31 5 7 LYS N N 120.512 0.021 1 32 6 8 GLU H H 8.935 0 1 33 6 8 GLU HA H 3.862 0.003 1 34 6 8 GLU HB2 H 2.284 0 2 35 6 8 GLU HB3 H 2.036 0.001 2 36 6 8 GLU HG2 H 2.489 0 2 37 6 8 GLU HG3 H 2.668 0.002 2 38 6 8 GLU CA C 61.306 0.046 1 39 6 8 GLU CB C 28.904 0.017 1 40 6 8 GLU CG C 37.571 0.01 1 41 6 8 GLU N N 119.685 0 1 42 7 9 GLU H H 7.677 0.005 1 43 7 9 GLU HA H 3.678 0.001 1 44 7 9 GLU HB2 H 2.381 0 2 45 7 9 GLU HB3 H 1.884 0.004 2 46 7 9 GLU HG2 H 2.305 0 2 47 7 9 GLU HG3 H 2.115 0 2 48 7 9 GLU CA C 59.615 0.026 1 49 7 9 GLU CB C 29.609 0.1 1 50 7 9 GLU CG C 37.619 0 1 51 7 9 GLU N N 119.179 0 1 52 8 10 ILE H H 8.162 0.001 1 53 8 10 ILE HA H 3.271 0 1 54 8 10 ILE HB H 1.746 0.008 1 55 8 10 ILE HG12 H 1.718 0 2 56 8 10 ILE HG13 H 0.629 0.001 2 57 8 10 ILE HG2 H 0.254 0 1 58 8 10 ILE HD1 H 0.617 0 1 59 8 10 ILE CA C 65.744 0 1 60 8 10 ILE CB C 37.353 0 1 61 8 10 ILE CG1 C 29.58 0.033 1 62 8 10 ILE CG2 C 17.733 0.001 1 63 8 10 ILE CD1 C 12.503 0 1 64 8 10 ILE N N 121.054 0 1 65 9 11 ALA H H 8.171 0.001 1 66 9 11 ALA HA H 3.857 0.001 1 67 9 11 ALA HB H 1.051 0 1 68 9 11 ALA CA C 55.722 0 1 69 9 11 ALA N N 120.965 0 1 70 11 13 LEU H H 8.166 0 1 71 11 13 LEU HA H 3.867 0 1 72 11 13 LEU HD2 H 0.278 0 1 73 11 13 LEU CA C 58.083 0 1 74 11 13 LEU CD2 C 25.059 0 1 75 12 14 ILE H H 8.158 0 1 76 12 14 ILE HA H 3.264 0.002 1 77 12 14 ILE HB H 2.167 0 1 78 12 14 ILE HG12 H 1.648 0.004 2 79 12 14 ILE HG13 H 0.349 0 2 80 12 14 ILE HG2 H 0.757 0 1 81 12 14 ILE HD1 H 0.517 0.002 1 82 12 14 ILE CA C 65.716 0 1 83 12 14 ILE CB C 38.144 0 1 84 12 14 ILE CG1 C 29.558 0 1 85 12 14 ILE CG2 C 19.025 0 1 86 12 14 ILE CD1 C 15.727 0 1 87 13 15 VAL H H 8.678 0 1 88 13 15 VAL HA H 3.629 0.002 1 89 13 15 VAL HB H 2.438 0.004 1 90 13 15 VAL HG1 H 1.379 0 2 91 13 15 VAL HG2 H 1.17 0.001 2 92 13 15 VAL CA C 68.453 0.005 1 93 13 15 VAL CB C 31.357 0.051 1 94 13 15 VAL CG1 C 24.666 0 2 95 13 15 VAL CG2 C 22.557 0 2 96 13 15 VAL N N 120.779 0 1 97 14 16 ASN H H 8.742 0.005 1 98 14 16 ASN HA H 3.865 0.005 1 99 14 16 ASN HB2 H 2.709 0.004 2 100 14 16 ASN HB3 H 2.788 0.005 2 101 14 16 ASN HD21 H 6.996 0.003 1 102 14 16 ASN HD22 H 7.708 0.006 1 103 14 16 ASN CA C 58.105 0.048 1 104 14 16 ASN CB C 39.84 0.004 1 105 14 16 ASN N N 119.409 0 1 106 14 16 ASN ND2 N 113.285 0.007 1 107 15 17 TYR H H 8.132 0.002 1 108 15 17 TYR HA H 4.306 0.005 1 109 15 17 TYR HB2 H 3.122 0 2 110 15 17 TYR HB3 H 2.951 0.006 2 111 15 17 TYR HD1 H 6.677 0.005 3 112 15 17 TYR HD2 H 6.677 0.005 3 113 15 17 TYR CA C 61.19 0.042 1 114 15 17 TYR CB C 38.195 0 1 115 15 17 TYR CD1 C 133.07 0 3 116 15 17 TYR CD2 C 133.07 0 3 117 15 17 TYR N N 121.932 0 1 118 16 18 PHE H H 8.45 0.004 1 119 16 18 PHE HB2 H 3.189 0.014 2 120 16 18 PHE HB3 H 3.563 0.014 2 121 16 18 PHE HD1 H 7.194 0 3 122 16 18 PHE HD2 H 7.194 0 3 123 16 18 PHE HE1 H 7.305 0 3 124 16 18 PHE HE2 H 7.305 0 3 125 16 18 PHE HZ H 7.182 0 1 126 16 18 PHE CB C 37.486 0.064 1 127 16 18 PHE CE1 C 130.621 0 3 128 16 18 PHE CE2 C 130.621 0 3 129 16 18 PHE CZ C 130.59 0 1 130 16 18 PHE N N 118.686 0 1 131 17 19 SER H H 9.053 0.009 1 132 17 19 SER HA H 4.043 0 1 133 17 19 SER HB2 H 4.075 0 2 134 17 19 SER HB3 H 4.184 0 2 135 17 19 SER CA C 62.681 0 1 136 17 19 SER CB C 62.884 0.017 1 137 17 19 SER N N 116.625 0 1 138 18 20 SER H H 7.872 0 1 139 18 20 SER HA H 4.288 0 1 140 18 20 SER HB3 H 4.029 0 1 141 18 20 SER CA C 61.669 0 1 142 18 20 SER CB C 63.005 0 1 143 18 20 SER N N 117.637 0 1 144 19 21 ILE H H 7.293 0.006 1 145 19 21 ILE HA H 3.757 0.004 1 146 19 21 ILE HB H 2.071 0 1 147 19 21 ILE HG12 H 1.413 0.005 2 148 19 21 ILE HG13 H 1.153 0.002 2 149 19 21 ILE HG2 H 0.762 0 1 150 19 21 ILE HD1 H 0.759 0.001 1 151 19 21 ILE CA C 64.25 0.028 1 152 19 21 ILE CB C 37.615 0 1 153 19 21 ILE CG1 C 28.359 0.012 1 154 19 21 ILE CG2 C 17.704 0 1 155 19 21 ILE CD1 C 12.578 0.026 1 156 19 21 ILE N N 121.901 0.026 1 157 20 22 VAL H H 7.733 0.003 1 158 20 22 VAL HA H 3.586 0.001 1 159 20 22 VAL HB H 2.213 0.002 1 160 20 22 VAL HG1 H 0.997 0 2 161 20 22 VAL HG2 H 0.978 0 2 162 20 22 VAL CA C 66.815 0.002 1 163 20 22 VAL CB C 32.002 0 1 164 20 22 VAL CG1 C 23.446 0 2 165 20 22 VAL CG2 C 21.725 0 2 166 20 22 VAL N N 118.189 0.006 1 167 21 23 GLU H H 8.706 0.002 1 168 21 23 GLU HA H 4.03 0 1 169 21 23 GLU HB2 H 2.124 0 2 170 21 23 GLU HB3 H 2.172 0 2 171 21 23 GLU HG2 H 2.309 0 2 172 21 23 GLU HG3 H 2.384 0 2 173 21 23 GLU CA C 59.514 0 1 174 21 23 GLU CB C 29.8 0.014 1 175 21 23 GLU CG C 36.273 0.031 1 176 21 23 GLU N N 122.316 0 1 177 22 24 LYS H H 7.856 0.005 1 178 22 24 LYS HA H 4.208 0.005 1 179 22 24 LYS HB2 H 1.777 0 2 180 22 24 LYS HB3 H 2.06 0 2 181 22 24 LYS HG2 H 1.697 0.004 2 182 22 24 LYS HG3 H 1.456 0.003 2 183 22 24 LYS HD3 H 1.643 0 1 184 22 24 LYS HE3 H 2.942 0.002 1 185 22 24 LYS CA C 56.695 0.005 1 186 22 24 LYS CB C 32.622 0.001 1 187 22 24 LYS CG C 25.991 0.029 1 188 22 24 LYS CD C 29.122 0 1 189 22 24 LYS CE C 42.16 0 1 190 22 24 LYS N N 115.562 0 1 191 23 25 LYS H H 7.936 0.002 1 192 23 25 LYS HA H 3.95 0.003 1 193 23 25 LYS HB2 H 2.09 0.004 2 194 23 25 LYS HB3 H 2.017 0.002 2 195 23 25 LYS HG3 H 1.422 0.003 1 196 23 25 LYS HD2 H 1.726 0.013 1 197 23 25 LYS HD3 H 1.726 0.013 1 198 23 25 LYS HE3 H 3.063 0 1 199 23 25 LYS CA C 57.412 0.001 1 200 23 25 LYS CB C 28.868 0.101 1 201 23 25 LYS CG C 24.929 0 1 202 23 25 LYS CD C 29.217 0.004 1 203 23 25 LYS CE C 42.457 0 1 204 23 25 LYS N N 115.414 0 1 205 24 26 GLU H H 8.083 0.004 1 206 24 26 GLU HA H 4.334 0 1 207 24 26 GLU HB2 H 1.864 0.003 2 208 24 26 GLU HB3 H 2.28 0 2 209 24 26 GLU HG2 H 2.239 0.019 1 210 24 26 GLU HG3 H 2.239 0.019 1 211 24 26 GLU CA C 56.514 0 1 212 24 26 GLU CB C 30.069 0.098 1 213 24 26 GLU CG C 37.244 0.006 1 214 24 26 GLU N N 117.326 0 1 215 25 27 ILE H H 7.263 0.005 1 216 25 27 ILE HA H 4.485 0.005 1 217 25 27 ILE HB H 1.588 0 1 218 25 27 ILE HG12 H 1.468 0.002 2 219 25 27 ILE HG13 H 1.024 0.002 2 220 25 27 ILE HG2 H 0.601 0 1 221 25 27 ILE HD1 H 0.263 0.004 1 222 25 27 ILE CA C 58.696 0.009 1 223 25 27 ILE CB C 41.535 0 1 224 25 27 ILE CG1 C 27.159 0.042 1 225 25 27 ILE CG2 C 16.085 0 1 226 25 27 ILE CD1 C 14.494 0 1 227 25 27 ILE N N 114.475 0 1 228 26 28 SER H H 8.068 0.005 1 229 26 28 SER HA H 4.359 0 1 230 26 28 SER HB2 H 4.092 0.007 2 231 26 28 SER HB3 H 4.351 0 2 232 26 28 SER CA C 58.155 0 1 233 26 28 SER CB C 64.734 0.041 1 234 26 28 SER N N 119.348 0.025 1 235 27 29 GLU H H 8.844 0.005 1 236 27 29 GLU HA H 3.996 0.002 1 237 27 29 GLU HB3 H 2.075 0.001 1 238 27 29 GLU HG3 H 2.38 0 1 239 27 29 GLU CA C 60.244 0.027 1 240 27 29 GLU CB C 29.237 0 1 241 27 29 GLU CG C 36.769 0 1 242 27 29 GLU N N 121.044 0 1 243 28 30 ASP H H 8.363 0.007 1 244 28 30 ASP HA H 4.492 0 1 245 28 30 ASP HB2 H 2.537 0 2 246 28 30 ASP HB3 H 2.737 0 2 247 28 30 ASP CA C 57.26 0 1 248 28 30 ASP CB C 40.188 0.001 1 249 28 30 ASP N N 118.438 0.084 1 250 29 31 GLY H H 8.092 0.005 1 251 29 31 GLY HA2 H 3.552 0.003 2 252 29 31 GLY HA3 H 3.634 0.006 2 253 29 31 GLY CA C 47.496 0.028 1 254 29 31 GLY N N 110.056 0 1 255 30 32 ALA H H 8.744 0.003 1 256 30 32 ALA HA H 3.749 0 1 257 30 32 ALA HB H 1.48 0 1 258 30 32 ALA CA C 55.331 0.002 1 259 30 32 ALA N N 125.074 0.013 1 260 31 33 ASP H H 7.958 0.002 1 261 31 33 ASP HA H 4.504 0 1 262 31 33 ASP HB2 H 3.079 0 2 263 31 33 ASP HB3 H 2.613 0 2 264 31 33 ASP N N 119.598 0.029 1 265 32 34 SER H H 7.634 0 1 266 33 35 LEU H H 8.58 0.012 1 267 33 35 LEU HA H 3.806 0.007 1 268 33 35 LEU HB2 H 1.052 0.012 2 269 33 35 LEU HB3 H 1.583 0.009 2 270 33 35 LEU HG H 1.456 0.012 1 271 33 35 LEU HD1 H 0.393 0.003 2 272 33 35 LEU HD2 H 0.153 0.002 2 273 33 35 LEU CA C 56.876 0.018 1 274 33 35 LEU CB C 41.225 0.01 1 275 33 35 LEU CG C 26.044 0.06 1 276 33 35 LEU CD1 C 24.964 0 2 277 33 35 LEU CD2 C 22.388 0.017 2 278 33 35 LEU N N 120.737 0 1 279 34 36 ASN H H 8.642 0.007 1 280 34 36 ASN HA H 4.502 0 1 281 34 36 ASN HB2 H 2.959 0.001 2 282 34 36 ASN HB3 H 3.038 0.005 2 283 34 36 ASN HD21 H 7.44 0.003 1 284 34 36 ASN HD22 H 6.855 0.003 1 285 34 36 ASN CA C 57.505 0 1 286 34 36 ASN CB C 38.508 0.027 1 287 34 36 ASN N N 120.654 0 1 288 34 36 ASN ND2 N 112.344 0 1 289 35 37 VAL H H 7.253 0.006 1 290 35 37 VAL HA H 3.873 0.002 1 291 35 37 VAL HB H 2.396 0.004 1 292 35 37 VAL HG1 H 1.053 0.001 2 293 35 37 VAL HG2 H 0.912 0.002 2 294 35 37 VAL CA C 66.402 0.021 1 295 35 37 VAL CB C 31.235 0 1 296 35 37 VAL CG1 C 22.899 0.042 1 297 35 37 VAL CG2 C 22.899 0.042 1 298 35 37 VAL N N 119.045 0.008 1 299 36 38 ALA H H 8.465 0.006 1 300 36 38 ALA HA H 3.802 0.003 1 301 36 38 ALA HB H 1.522 0.001 1 302 36 38 ALA CA C 56.31 0.002 1 303 36 38 ALA CB C 18.103 0.006 1 304 37 39 MET H H 8.897 0.008 1 305 37 39 MET HA H 3.984 0.001 1 306 37 39 MET HB2 H 2.623 0 2 307 37 39 MET HB3 H 1.986 0 2 308 37 39 MET HG2 H 2.59 0 2 309 37 39 MET HG3 H 3.114 0.004 2 310 37 39 MET HE H 2.052 0 1 311 37 39 MET CA C 61.394 0.053 1 312 37 39 MET CB C 35.491 0 1 313 37 39 MET CG C 34.244 0.069 1 314 37 39 MET N N 115.403 0 1 315 38 40 ASP H H 7.945 0.005 1 316 38 40 ASP HA H 4.515 0.013 1 317 38 40 ASP HB2 H 2.98 0 2 318 38 40 ASP HB3 H 2.619 0 2 319 38 40 ASP CA C 57.56 0 1 320 38 40 ASP CB C 40.19 0 1 321 38 40 ASP N N 122.779 0.011 1 322 39 41 CYS H H 8.478 0.001 1 323 39 41 CYS HA H 4.06 0 1 324 39 41 CYS HB2 H 3.006 0.018 1 325 39 41 CYS HB3 H 3.006 0.018 1 326 39 41 CYS CA C 62.987 0 1 327 39 41 CYS CB C 28.031 0 1 328 39 41 CYS N N 119.516 0 1 329 40 42 ILE H H 8.75 0.005 1 330 40 42 ILE HA H 3.281 0 1 331 40 42 ILE HB H 1.743 0 1 332 40 42 ILE HG12 H 0.688 0 2 333 40 42 ILE HG13 H 1.9 0 2 334 40 42 ILE HG2 H 1.112 0 1 335 40 42 ILE HD1 H 1.161 0 1 336 40 42 ILE CA C 65.948 0 1 337 40 42 ILE CB C 39.294 0 1 338 40 42 ILE CG1 C 29.183 0.056 1 339 40 42 ILE CG2 C 18.977 0 1 340 40 42 ILE CD1 C 15.026 0 1 341 40 42 ILE N N 120.19 0 1 342 41 43 SER H H 7.567 0.007 1 343 41 43 SER HA H 3.018 0.004 1 344 41 43 SER HB2 H 3.753 0 2 345 41 43 SER HB3 H 3.911 0 2 346 41 43 SER CA C 62.142 0.034 1 347 41 43 SER CB C 62.447 0.052 1 348 41 43 SER N N 114.688 0.023 1 349 42 44 GLU H H 7.653 0.005 1 350 42 44 GLU HA H 3.968 0 1 351 42 44 GLU HB3 H 2.087 0 1 352 42 44 GLU HG3 H 2.302 0 1 353 42 44 GLU CA C 58.828 0 1 354 42 44 GLU CB C 29.277 0 1 355 42 44 GLU CG C 35.993 0 1 356 42 44 GLU N N 120.225 0.054 1 357 43 45 ALA H H 8.102 0.005 1 358 43 45 ALA HA H 3.845 0.002 1 359 43 45 ALA HB H 1.062 0 1 360 43 45 ALA CA C 54.873 0.009 1 361 43 45 ALA N N 120.772 0 1 362 44 46 PHE H H 7.421 0.006 1 363 44 46 PHE HB2 H 2.67 0.002 2 364 44 46 PHE HB3 H 3.493 0.005 2 365 44 46 PHE HD1 H 7.645 0.006 3 366 44 46 PHE HD2 H 7.645 0.006 3 367 44 46 PHE HZ H 7.159 0 1 368 44 46 PHE CB C 40.041 0.012 1 369 44 46 PHE CD1 C 132.961 0 3 370 44 46 PHE CD2 C 132.961 0 3 371 44 46 PHE CZ C 130.74 0 1 372 44 46 PHE N N 110.06 0 1 373 45 47 GLY H H 7.692 0.015 1 374 45 47 GLY HA2 H 3.957 0 2 375 45 47 GLY HA3 H 4.087 0 2 376 45 47 GLY CA C 47.198 0.039 1 377 45 47 GLY N N 108.81 0 1 378 46 48 PHE H H 7.917 0.004 1 379 46 48 PHE HA H 5.201 0.004 1 380 46 48 PHE HB2 H 3.032 0.01 2 381 46 48 PHE HB3 H 3.143 0.011 2 382 46 48 PHE HD1 H 7.096 0.004 3 383 46 48 PHE HD2 H 7.096 0.004 3 384 46 48 PHE HE1 H 7.148 0 3 385 46 48 PHE HE2 H 7.148 0 3 386 46 48 PHE HZ H 6.784 0.005 1 387 46 48 PHE CA C 54.504 0.023 1 388 46 48 PHE CB C 41.48 0.028 1 389 46 48 PHE CD1 C 132.993 0 3 390 46 48 PHE CD2 C 132.993 0 3 391 46 48 PHE CE1 C 130.863 0 3 392 46 48 PHE CE2 C 130.863 0 3 393 46 48 PHE CZ C 127.017 0 1 394 46 48 PHE N N 116.186 0.007 1 395 47 49 GLU H H 8.384 0.005 1 396 47 49 GLU HA H 4.585 0 1 397 47 49 GLU HB2 H 1.988 0 2 398 47 49 GLU HB3 H 2.348 0 2 399 47 49 GLU HG3 H 2.379 0 1 400 47 49 GLU CA C 55.076 0 1 401 47 49 GLU CB C 30.788 0.03 1 402 47 49 GLU CG C 36.445 0 1 403 47 49 GLU N N 118.642 0 1 404 48 50 ARG H H 9.273 0.006 1 405 48 50 ARG HA H 4.108 0 1 406 48 50 ARG HB3 H 1.997 0 1 407 48 50 ARG HG2 H 1.838 0 2 408 48 50 ARG HG3 H 1.695 0 2 409 48 50 ARG HD3 H 3.219 0 1 410 48 50 ARG HE H 7.41 0 1 411 48 50 ARG CA C 60.051 0 1 412 48 50 ARG CB C 30.352 0 1 413 48 50 ARG CG C 27.373 0.035 1 414 48 50 ARG CD C 44.165 0 1 415 48 50 ARG N N 125.284 0.013 1 416 49 51 GLU H H 9.124 0.003 1 417 49 51 GLU HA H 4.229 0.003 1 418 49 51 GLU HB2 H 2.12 0.026 1 419 49 51 GLU HB3 H 2.12 0.026 1 420 49 51 GLU HG2 H 2.345 0 2 421 49 51 GLU HG3 H 2.419 0 2 422 49 51 GLU CA C 58.664 0.054 1 423 49 51 GLU CB C 28.999 0.02 1 424 49 51 GLU CG C 36.727 0.008 1 425 49 51 GLU N N 116.296 0 1 426 50 52 ALA H H 8.134 0.002 1 427 50 52 ALA HA H 4.538 0.003 1 428 50 52 ALA HB H 1.688 0.002 1 429 50 52 ALA CA C 52.53 0.021 1 430 50 52 ALA CB C 19.953 0.018 1 431 50 52 ALA N N 121.495 0 1 432 51 53 VAL H H 7.394 0.003 1 433 51 53 VAL HA H 3.388 0.004 1 434 51 53 VAL HB H 2.214 0.001 1 435 51 53 VAL HG1 H 0.96 0.001 2 436 51 53 VAL HG2 H 1.202 0.009 2 437 51 53 VAL CA C 66.942 0.002 1 438 51 53 VAL CB C 32.111 0.013 1 439 51 53 VAL CG1 C 21.914 0 2 440 51 53 VAL CG2 C 23.904 0 2 441 51 53 VAL N N 117.931 0.001 1 442 52 54 SER H H 8.532 0.001 1 443 52 54 SER HA H 3.925 0 1 444 52 54 SER HB3 H 4.121 0 1 445 52 54 SER CA C 62.251 0 1 446 52 54 SER CB C 61.726 0 1 447 52 54 SER N N 114.609 0 1 448 53 55 GLY H H 8.142 0.003 1 449 53 55 GLY HA3 H 3.922 0 1 450 53 55 GLY CA C 46.479 0 1 451 53 55 GLY N N 111.284 0 1 452 54 56 ILE H H 7.794 0.003 1 453 54 56 ILE HA H 3.653 0.004 1 454 54 56 ILE HB H 1.589 0 1 455 54 56 ILE HG12 H 1.525 0 2 456 54 56 ILE HG13 H 0.905 0 2 457 54 56 ILE HG2 H 0.651 0 1 458 54 56 ILE HD1 H 0.304 0 1 459 54 56 ILE CA C 64.65 0.032 1 460 54 56 ILE CB C 38.701 0 1 461 54 56 ILE CG1 C 28.444 0.081 1 462 54 56 ILE CG2 C 17.204 0 1 463 54 56 ILE CD1 C 13.323 0 1 464 54 56 ILE N N 122.696 0 1 465 55 57 LEU H H 8.172 0.005 1 466 55 57 LEU HA H 4.125 0.003 1 467 55 57 LEU HB2 H 1.749 0.011 2 468 55 57 LEU HB3 H 1.47 0 2 469 55 57 LEU HG H 1.678 0.008 1 470 55 57 LEU HD1 H 0.81 0.004 2 471 55 57 LEU HD2 H 0.763 0.003 2 472 55 57 LEU CA C 56.531 0.005 1 473 55 57 LEU CB C 41.43 0.051 1 474 55 57 LEU CG C 27.165 0 1 475 55 57 LEU CD1 C 22.843 0.003 2 476 55 57 LEU CD2 C 25.26 0.002 2 477 55 57 LEU N N 118.164 0 1 478 56 58 GLY H H 8.17 0.014 1 479 56 58 GLY HA2 H 3.975 0 2 480 56 58 GLY HA3 H 3.899 0 2 481 56 58 GLY CA C 46.458 0.023 1 482 56 58 GLY N N 107.258 0.034 1 483 57 59 LYS HB3 H 1.954 0 1 484 57 59 LYS HE3 H 2.975 0 1 485 57 59 LYS CB C 32.839 0 1 486 60 62 PHE HD1 H 7.055 0 3 487 60 62 PHE HD2 H 7.055 0 3 488 60 62 PHE HE1 H 7.134 0 3 489 60 62 PHE HE2 H 7.134 0 3 490 60 62 PHE CD1 C 131.483 0 3 491 60 62 PHE CD2 C 131.483 0 3 492 60 62 PHE CE1 C 131.439 0 3 493 60 62 PHE CE2 C 131.439 0 3 494 62 64 GLY H H 8.468 0.011 1 495 62 64 GLY HA2 H 3.797 0 2 496 62 64 GLY HA3 H 3.944 0 2 497 62 64 GLY CA C 45.9 0.131 1 498 64 66 HIS H H 8.496 0.007 1 499 64 66 HIS HB2 H 3.109 0.003 2 500 64 66 HIS HB3 H 3.298 0.002 2 501 64 66 HIS HD2 H 7.175 0.002 1 502 64 66 HIS CB C 31.143 0.099 1 503 68 70 ILE H H 7.616 0.007 1 504 68 70 ILE HA H 3.796 0.005 1 505 68 70 ILE HB H 1.703 0.003 1 506 68 70 ILE HG12 H 1.032 0 2 507 68 70 ILE HG13 H 1.519 0 2 508 68 70 ILE HG2 H 0.729 0.005 1 509 68 70 ILE HD1 H 0.62 0.002 1 510 68 70 ILE CA C 63.802 0 1 511 68 70 ILE CB C 38.646 0.033 1 512 68 70 ILE CG1 C 27.967 0.001 1 513 68 70 ILE CG2 C 17.463 0 1 514 68 70 ILE CD1 C 13.909 0 1 515 71 73 SER H H 7.795 0 1 516 71 73 SER HA H 4.456 0 1 517 71 73 SER HB3 H 3.901 0.004 1 518 71 73 SER CB C 64.191 0.003 1 519 72 74 ALA H H 7.763 0.002 1 520 72 74 ALA HA H 4.141 0.001 1 521 72 74 ALA HB H 1.368 0 1 522 72 74 ALA CA C 54.052 0.013 1 523 72 74 ALA N N 131.082 0 1 stop_ save_