data_18669 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Get5 ubiquitin-like domain ; _BMRB_accession_number 18669 _BMRB_flat_file_name bmr18669.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 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 438 "13C chemical shifts" 270 "15N chemical shifts" 78 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 18670 'Sgt2 homodimerization domain' 18671 'complex between the Sgt2 homodimerization domain and the Get5 UBL 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 Get5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Get5 $Get5 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 9999.781 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; MVHLTLKKIQAPKFSIEHDF SPSDTILQIKQHLISEEKAS HISEIKLLLKGKVLHDNLFL SDLKVTPANSTITVMIKPNL EHHHHHH ; 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 82 154 HIS 83 155 HIS 84 156 HIS 85 157 HIS 86 158 HIS 87 159 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-29 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 18342 Get5_ubl 89.66 97 100.00 100.00 1.66e-44 BMRB 18671 Get5 93.10 81 100.00 100.00 1.63e-47 PDB 2LXA "Solution Structure Of The Get5 Ubiquitin-like Domain" 100.00 87 100.00 100.00 9.94e-52 PDB 2LXC "Solution Structure Of The Complex Between The Sgt2 Homodimerization Domain And The Get5 Ubl Domain" 93.10 81 100.00 100.00 1.63e-47 PDB 3ZDM "Crystal Structure Of The Sgt2 N Domain And The Get5 Ubl Domain Complex" 89.66 81 100.00 100.00 2.28e-45 PDB 4A20 "Crystal Structure Of The Ubl Domain Of Mdy2 (get5) At 1.78a" 89.66 98 100.00 100.00 1.44e-44 PDB 4ASW "Structure Of The Complex Between The N-terminal Dimerisation Domain Of Sgt2 And The Ubl Domain Of Get5" 89.66 83 100.00 100.00 3.45e-45 PDB 4GOC "Crystal Structure Of The Get5 Ubiquitin-like Domain" 86.21 76 100.00 100.00 1.10e-42 DBJ GAA26218 "K7_Mdy2p [Saccharomyces cerevisiae Kyokai no. 7]" 89.66 212 100.00 100.00 9.91e-45 EMBL CAA88151 "ORF [Saccharomyces cerevisiae]" 89.66 212 100.00 100.00 1.10e-44 EMBL CAA99130 "unnamed protein product [Saccharomyces cerevisiae]" 89.66 212 100.00 100.00 1.10e-44 EMBL CAY86179 "Mdy2p [Saccharomyces cerevisiae EC1118]" 89.66 212 100.00 100.00 1.10e-44 GB AHY77206 "Mdy2p [Saccharomyces cerevisiae YJM993]" 89.66 212 100.00 100.00 1.38e-44 GB AJP41438 "Mdy2p [Saccharomyces cerevisiae YJM1078]" 89.66 212 100.00 100.00 1.38e-44 GB AJT70857 "Mdy2p [Saccharomyces cerevisiae YJM189]" 89.66 212 100.00 100.00 1.38e-44 GB AJT71348 "Mdy2p [Saccharomyces cerevisiae YJM193]" 89.66 212 100.00 100.00 1.38e-44 GB AJT71834 "Mdy2p [Saccharomyces cerevisiae YJM195]" 89.66 212 100.00 100.00 9.29e-45 REF NP_014530 "Mdy2p [Saccharomyces cerevisiae S288c]" 89.66 212 100.00 100.00 1.10e-44 SP Q12285 "RecName: Full=Ubiquitin-like protein MDY2; AltName: Full=Golgi to ER traffic protein 5; AltName: Full=Mating-deficient protein " 89.66 212 100.00 100.00 1.10e-44 TPG DAA10672 "TPA: Mdy2p [Saccharomyces cerevisiae S288c]" 89.66 212 100.00 100.00 1.10e-44 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 _Details $Get5 'Baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae Get5 'ubiquitin-like domain' 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 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Get5 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % '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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.1 . pH pressure 1 . atm temperature 297.5 . 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 4.778 internal indirect . . . 0.251457 water H 1 protons ppm 4.778 internal direct . . . 1.0 water N 15 protons ppm 4.778 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D (H)CCH-TOCSY' '3D 1H-15N TOCSY' '2D 1H-13C HSQC aliphatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 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 74 2 VAL HA H 3.582 0.002 1 2 74 2 VAL HB H 2.088 0.001 1 3 74 2 VAL HG1 H 0.843 0.023 2 4 74 2 VAL HG2 H 0.972 0 2 5 74 2 VAL CA C 61.367 0.086 1 6 74 2 VAL CB C 32.671 0.055 1 7 74 2 VAL CG1 C 20.34 0.129 2 8 74 2 VAL CG2 C 20.336 0.002 2 9 75 3 HIS H H 8.86 0.004 1 10 75 3 HIS HB2 H 3.312 0.001 2 11 75 3 HIS HB3 H 3.036 0.003 2 12 75 3 HIS CA C 56.955 0.069 1 13 75 3 HIS CB C 29.261 0.176 1 14 75 3 HIS N N 128.074 0.066 1 15 76 4 LEU H H 8.365 0.006 1 16 76 4 LEU HA H 5.185 0.002 1 17 76 4 LEU HB2 H 1.381 0.001 2 18 76 4 LEU HB3 H 1.737 0.007 2 19 76 4 LEU HD1 H 1.746 0.003 2 20 76 4 LEU HD2 H 0.874 0.002 2 21 76 4 LEU CA C 53.439 0.064 1 22 76 4 LEU CB C 46.817 0.082 1 23 76 4 LEU CD1 C 26.825 0.001 2 24 76 4 LEU CD2 C 24.148 0.03 2 25 76 4 LEU N N 125.767 0.054 1 26 77 5 THR H H 8.482 0.005 1 27 77 5 THR HA H 4.908 0 1 28 77 5 THR HB H 4.121 0.008 1 29 77 5 THR HG2 H 1.151 0.001 1 30 77 5 THR CA C 62.154 0.065 1 31 77 5 THR CB C 69.501 0.09 1 32 77 5 THR CG2 C 21.779 0.052 1 33 77 5 THR N N 116.727 0.089 1 34 78 6 LEU H H 9.852 0.004 1 35 78 6 LEU HA H 5.1 0.001 1 36 78 6 LEU HB2 H 2.289 0.002 2 37 78 6 LEU HB3 H 1.229 0.002 2 38 78 6 LEU HG H 1.808 0 1 39 78 6 LEU HD1 H 0.998 0 2 40 78 6 LEU HD2 H 0.805 0 2 41 78 6 LEU CA C 53.039 0.062 1 42 78 6 LEU CB C 41.625 0.051 1 43 78 6 LEU CG C 27.086 0 1 44 78 6 LEU CD1 C 26.014 0.031 2 45 78 6 LEU CD2 C 24.545 0.079 2 46 78 6 LEU N N 128.263 0.024 1 47 79 7 LYS H H 8.85 0.001 1 48 79 7 LYS HA H 5.123 0.001 1 49 79 7 LYS HB2 H 1.736 0.001 2 50 79 7 LYS HB3 H 1.486 0.001 2 51 79 7 LYS HG2 H 1.408 0 2 52 79 7 LYS HG3 H 1.217 0.005 2 53 79 7 LYS HD3 H 1.639 0.003 1 54 79 7 LYS HE3 H 2.911 0 1 55 79 7 LYS CA C 55.268 0.085 1 56 79 7 LYS CB C 36.677 0.04 1 57 79 7 LYS CG C 25.437 0.027 1 58 79 7 LYS CD C 29.711 0.057 1 59 79 7 LYS CE C 42.07 0.034 1 60 79 7 LYS N N 124.708 0.03 1 61 80 8 LYS H H 8.357 0.002 1 62 80 8 LYS HA H 4.826 0 1 63 80 8 LYS HB2 H 0.699 0.004 2 64 80 8 LYS HB3 H 0.423 0.006 2 65 80 8 LYS HG2 H 1.388 0 2 66 80 8 LYS HG3 H 1.57 0 2 67 80 8 LYS HD2 H 1.778 0 2 68 80 8 LYS HD3 H 1.553 0.002 2 69 80 8 LYS HE3 H 3.139 0 1 70 80 8 LYS CA C 55.027 0.066 1 71 80 8 LYS CB C 34.58 0.063 1 72 80 8 LYS CG C 24.993 0.028 1 73 80 8 LYS CD C 31.008 0.039 1 74 80 8 LYS CE C 43.024 0.019 1 75 80 8 LYS N N 129.451 0.029 1 76 81 9 ILE H H 8.371 0.003 1 77 81 9 ILE HA H 4.136 0.001 1 78 81 9 ILE HB H 2.006 0.001 1 79 81 9 ILE HG12 H 1.399 0 2 80 81 9 ILE HG13 H 1.169 0.001 2 81 81 9 ILE HG2 H 0.912 0 1 82 81 9 ILE HD1 H 0.877 0 1 83 81 9 ILE CA C 62.352 0.104 1 84 81 9 ILE CB C 38.632 0.037 1 85 81 9 ILE CG1 C 27.223 0.034 1 86 81 9 ILE CG2 C 18.17 0.034 1 87 81 9 ILE CD1 C 13.488 0.055 1 88 81 9 ILE N N 123.406 0.02 1 89 82 10 GLN H H 7.317 0.003 1 90 82 10 GLN HA H 4.345 0.001 1 91 82 10 GLN HB3 H 2.008 0 1 92 82 10 GLN HG2 H 2.44 0.002 2 93 82 10 GLN HG3 H 2.505 0.001 2 94 82 10 GLN HE21 H 7.712 0 1 95 82 10 GLN HE22 H 6.974 0 1 96 82 10 GLN CA C 55.496 0.11 1 97 82 10 GLN CB C 29.765 0.053 1 98 82 10 GLN CG C 34.007 0.026 1 99 82 10 GLN N N 120.941 0.014 1 100 82 10 GLN NE2 N 112.95 0.002 1 101 83 11 ALA HA H 4.374 0 1 102 83 11 ALA HB H 1.41 0 1 103 83 11 ALA CA C 51.171 0.044 1 104 83 11 ALA CB C 17.677 0.037 1 105 84 12 PRO HA H 4.651 0 1 106 84 12 PRO HB2 H 2.271 0.001 2 107 84 12 PRO HB3 H 2.447 0 2 108 84 12 PRO HG2 H 1.995 0.002 2 109 84 12 PRO HG3 H 2.222 0.001 2 110 84 12 PRO HD2 H 3.564 0 2 111 84 12 PRO HD3 H 3.645 0.001 2 112 84 12 PRO CA C 62.279 0.09 1 113 84 12 PRO CB C 33.419 0.052 1 114 84 12 PRO CG C 25.556 0.015 1 115 84 12 PRO CD C 50.916 0.04 1 116 85 13 LYS H H 8.638 0.002 1 117 85 13 LYS HA H 4.027 0.001 1 118 85 13 LYS HB3 H 1.825 0 1 119 85 13 LYS HG2 H 1.256 0 2 120 85 13 LYS HG3 H 1.213 0 2 121 85 13 LYS CA C 56.847 0.039 1 122 85 13 LYS CB C 34.589 0.006 1 123 85 13 LYS CG C 25.508 0.009 1 124 85 13 LYS CD C 29.787 0 1 125 85 13 LYS CE C 42.262 0 1 126 85 13 LYS N N 126.487 0.031 1 127 86 14 PHE H H 7.735 0.002 1 128 86 14 PHE HA H 4.945 0 1 129 86 14 PHE HB2 H 3.251 0 2 130 86 14 PHE HB3 H 3.401 0 2 131 86 14 PHE HD1 H 7.306 0 3 132 86 14 PHE HD2 H 7.306 0 3 133 86 14 PHE HE1 H 7.149 0.003 3 134 86 14 PHE HE2 H 7.149 0.003 3 135 86 14 PHE HZ H 6.95 0 1 136 86 14 PHE CA C 57.819 0.042 1 137 86 14 PHE CB C 41.156 0.058 1 138 86 14 PHE N N 112.04 0.02 1 139 87 15 SER H H 8.806 0 1 140 87 15 SER HA H 5.394 0.003 1 141 87 15 SER HB2 H 3.867 0 2 142 87 15 SER HB3 H 3.669 0 2 143 87 15 SER CA C 58.089 0.043 1 144 87 15 SER CB C 64.049 0.078 1 145 87 15 SER N N 115.865 0 1 146 88 16 ILE H H 9.178 0.003 1 147 88 16 ILE HA H 4.854 0 1 148 88 16 ILE HB H 2.042 0.004 1 149 88 16 ILE HG12 H 1.311 0 2 150 88 16 ILE HG13 H 1.584 0 2 151 88 16 ILE HG2 H 0.995 0 1 152 88 16 ILE HD1 H 0.626 0 1 153 88 16 ILE CA C 59.948 0.052 1 154 88 16 ILE CB C 42.115 0.048 1 155 88 16 ILE CG1 C 26.846 0.057 1 156 88 16 ILE CG2 C 17.585 0.021 1 157 88 16 ILE CD1 C 13.574 0.063 1 158 88 16 ILE N N 124.408 0.056 1 159 89 17 GLU H H 8.832 0.003 1 160 89 17 GLU HA H 5.533 0.001 1 161 89 17 GLU HB3 H 1.941 0 1 162 89 17 GLU HG2 H 2.294 0 2 163 89 17 GLU HG3 H 2.501 0 2 164 89 17 GLU CA C 54.268 0.05 1 165 89 17 GLU CB C 33.026 0.041 1 166 89 17 GLU CG C 36.516 0.025 1 167 89 17 GLU N N 123.105 0.102 1 168 90 18 HIS H H 8.595 0.001 1 169 90 18 HIS HA H 4.459 0.002 1 170 90 18 HIS HB2 H 2.196 0.004 2 171 90 18 HIS HB3 H 2.61 0.009 2 172 90 18 HIS CA C 55.77 0.045 1 173 90 18 HIS CB C 33.079 0.014 1 174 90 18 HIS N N 120.381 0.066 1 175 91 19 ASP H H 6.795 0.006 1 176 91 19 ASP HA H 5.149 0.004 1 177 91 19 ASP HB3 H 2.13 0 1 178 91 19 ASP CA C 53.297 0.071 1 179 91 19 ASP CB C 42.284 0.048 1 180 91 19 ASP N N 123.224 0.048 1 181 92 20 PHE H H 8.875 0.003 1 182 92 20 PHE HA H 4.589 0 1 183 92 20 PHE HB2 H 3.55 0 2 184 92 20 PHE HB3 H 2.403 0 2 185 92 20 PHE HD1 H 7.382 0 3 186 92 20 PHE HD2 H 7.382 0 3 187 92 20 PHE HE1 H 7.01 0 3 188 92 20 PHE HE2 H 7.01 0 3 189 92 20 PHE HZ H 6.816 0 1 190 92 20 PHE CA C 57.011 0.132 1 191 92 20 PHE CB C 43.085 0.081 1 192 92 20 PHE N N 120.234 0.078 1 193 93 21 SER H H 9.174 0.003 1 194 93 21 SER HA H 4.952 0.005 1 195 93 21 SER HB2 H 3.884 0 2 196 93 21 SER HB3 H 4.007 0 2 197 93 21 SER CA C 56.016 0.044 1 198 93 21 SER CB C 63.765 0.063 1 199 93 21 SER N N 119.232 0.031 1 200 94 22 PRO HA H 4.254 0.001 1 201 94 22 PRO HB2 H 2.058 0.002 2 202 94 22 PRO HB3 H 2.353 0 2 203 94 22 PRO HG2 H 1.972 0 2 204 94 22 PRO HG3 H 2.171 0 2 205 94 22 PRO HD2 H 3.945 0 2 206 94 22 PRO HD3 H 4.027 0 2 207 94 22 PRO CA C 65.129 0.113 1 208 94 22 PRO CB C 31.943 0.061 1 209 94 22 PRO CG C 27.73 0.1 1 210 94 22 PRO CD C 50.955 0.083 1 211 95 23 SER H H 7.62 0.003 1 212 95 23 SER HA H 4.605 0.003 1 213 95 23 SER HB2 H 4.089 0.003 2 214 95 23 SER HB3 H 3.811 0 2 215 95 23 SER CA C 57.894 0.078 1 216 95 23 SER CB C 63.618 0.097 1 217 95 23 SER N N 106.929 0.089 1 218 96 24 ASP H H 7.793 0.003 1 219 96 24 ASP HA H 4.983 0.002 1 220 96 24 ASP HB2 H 3.22 0.006 2 221 96 24 ASP HB3 H 2.716 0 2 222 96 24 ASP CA C 55.464 0.048 1 223 96 24 ASP CB C 41.905 0.068 1 224 96 24 ASP N N 122.616 0.038 1 225 97 25 THR H H 8.59 0.002 1 226 97 25 THR HA H 5.429 0.002 1 227 97 25 THR HB H 4.407 0 1 228 97 25 THR HG2 H 0.789 0 1 229 97 25 THR CA C 59.46 0.05 1 230 97 25 THR CB C 73.236 0.113 1 231 97 25 THR CG2 C 21.842 0 1 232 97 25 THR N N 108.499 0.031 1 233 98 26 ILE H H 7.983 0.003 1 234 98 26 ILE HA H 3.52 0.003 1 235 98 26 ILE HB H 2.47 0.004 1 236 98 26 ILE HG12 H 1.387 0 2 237 98 26 ILE HG13 H 1.707 0.005 2 238 98 26 ILE HG2 H 0.737 0 1 239 98 26 ILE HD1 H 0.544 0.001 1 240 98 26 ILE CA C 61.498 0.02 1 241 98 26 ILE CB C 34.708 0.024 1 242 98 26 ILE CG1 C 27.808 0.076 1 243 98 26 ILE CG2 C 17.868 0.038 1 244 98 26 ILE CD1 C 9.828 0.044 1 245 98 26 ILE N N 121.162 0.018 1 246 99 27 LEU H H 8.246 0.004 1 247 99 27 LEU HA H 3.847 0.001 1 248 99 27 LEU HB2 H 1.443 0 2 249 99 27 LEU HB3 H 1.716 0 2 250 99 27 LEU HG H 1.476 0.007 1 251 99 27 LEU HD1 H 0.852 0.005 2 252 99 27 LEU HD2 H 0.92 0 2 253 99 27 LEU CA C 58.816 0.081 1 254 99 27 LEU CB C 42.068 0.012 1 255 99 27 LEU CG C 27.009 0.137 1 256 99 27 LEU CD1 C 25.467 0.035 2 257 99 27 LEU CD2 C 23.88 0.036 2 258 99 27 LEU N N 121.778 0.031 1 259 100 28 GLN H H 7.584 0.003 1 260 100 28 GLN HA H 4.292 0 1 261 100 28 GLN HB2 H 2.206 0 2 262 100 28 GLN HB3 H 2.694 0 2 263 100 28 GLN HG2 H 2.524 0.002 2 264 100 28 GLN HG3 H 2.713 0 2 265 100 28 GLN HE21 H 7.162 0.002 1 266 100 28 GLN HE22 H 7.727 0.001 1 267 100 28 GLN CA C 60.001 0.047 1 268 100 28 GLN CB C 28.877 0.03 1 269 100 28 GLN CG C 37.204 0.013 1 270 100 28 GLN N N 116.654 0.018 1 271 100 28 GLN NE2 N 114.65 0.047 1 272 101 29 ILE H H 7.703 0.002 1 273 101 29 ILE HA H 3.676 0 1 274 101 29 ILE HB H 1.915 0.004 1 275 101 29 ILE HG12 H 1.129 0.002 2 276 101 29 ILE HG13 H -0.32 0.002 2 277 101 29 ILE HG2 H 0.656 0 1 278 101 29 ILE HD1 H 0.264 0.001 1 279 101 29 ILE CA C 65.191 0.062 1 280 101 29 ILE CB C 36.224 0.045 1 281 101 29 ILE CG1 C 26.03 0.04 1 282 101 29 ILE CG2 C 19.041 0.027 1 283 101 29 ILE CD1 C 13.629 0.049 1 284 101 29 ILE N N 121.756 0.024 1 285 102 30 LYS H H 7.689 0.016 1 286 102 30 LYS HA H 3.824 0 1 287 102 30 LYS HB2 H 1.704 0.004 2 288 102 30 LYS HB3 H 2.288 0.003 2 289 102 30 LYS CA C 61.612 0.032 1 290 102 30 LYS CB C 32.91 0.081 1 291 102 30 LYS N N 119.05 0.023 1 292 103 31 GLN H H 8.607 0.002 1 293 103 31 GLN HB2 H 2.075 0 2 294 103 31 GLN HB3 H 2.294 0 2 295 103 31 GLN HG2 H 2.404 0.002 2 296 103 31 GLN HG3 H 2.513 0.002 2 297 103 31 GLN HE21 H 6.861 0.002 1 298 103 31 GLN HE22 H 7.322 0.001 1 299 103 31 GLN CA C 59.031 0.088 1 300 103 31 GLN CB C 27.859 0.049 1 301 103 31 GLN CG C 33.885 0.016 1 302 103 31 GLN N N 116.476 0.052 1 303 103 31 GLN NE2 N 110.397 0.017 1 304 104 32 HIS H H 8.111 0.003 1 305 104 32 HIS HA H 4.328 0 1 306 104 32 HIS HB2 H 3.536 0 2 307 104 32 HIS HB3 H 3.333 0.003 2 308 104 32 HIS CA C 60.318 0.058 1 309 104 32 HIS CB C 30.571 0.069 1 310 104 32 HIS N N 121.587 0.023 1 311 105 33 LEU H H 7.68 0.004 1 312 105 33 LEU HA H 3.563 0.003 1 313 105 33 LEU HB2 H 2.299 0 2 314 105 33 LEU HB3 H 0.991 0.004 2 315 105 33 LEU HG H 1.917 0 1 316 105 33 LEU HD1 H 1.002 0.001 2 317 105 33 LEU HD2 H 0.844 0 2 318 105 33 LEU CA C 58.203 0.071 1 319 105 33 LEU CB C 41.838 0.038 1 320 105 33 LEU CG C 27.279 0 1 321 105 33 LEU CD1 C 28.179 0.018 2 322 105 33 LEU CD2 C 24.392 0.099 2 323 105 33 LEU N N 117.271 0.043 1 324 106 34 ILE H H 7.589 0.004 1 325 106 34 ILE HA H 3.922 0.002 1 326 106 34 ILE HB H 2.01 0.003 1 327 106 34 ILE HG12 H 1.37 0 2 328 106 34 ILE HG13 H 0.931 0 2 329 106 34 ILE HG2 H 0.84 0 1 330 106 34 ILE HD1 H 0.429 0.001 1 331 106 34 ILE CA C 63.624 0.085 1 332 106 34 ILE CB C 36.798 0.06 1 333 106 34 ILE CG1 C 28.121 0.029 1 334 106 34 ILE CG2 C 16.895 0.039 1 335 106 34 ILE CD1 C 12.5 0.114 1 336 106 34 ILE N N 120.032 0.045 1 337 107 35 SER H H 8.374 0.003 1 338 107 35 SER HA H 4.21 0 1 339 107 35 SER HB2 H 4.029 0 2 340 107 35 SER HB3 H 3.851 0 2 341 107 35 SER CA C 60.57 0 1 342 107 35 SER CB C 62.258 0 1 343 107 35 SER N N 121.062 0.005 1 344 108 36 GLU H H 7.398 0.002 1 345 108 36 GLU HA H 4.162 0 1 346 108 36 GLU HB2 H 2.217 0 2 347 108 36 GLU HB3 H 1.342 0 2 348 108 36 GLU HG3 H 1.555 0.002 1 349 108 36 GLU CA C 55.758 0.116 1 350 108 36 GLU CB C 29.569 0.074 1 351 108 36 GLU CG C 35.927 0.027 1 352 108 36 GLU N N 117.799 0.018 1 353 109 37 GLU H H 8.107 0.002 1 354 109 37 GLU HA H 3.965 0 1 355 109 37 GLU HB2 H 2.211 0.004 2 356 109 37 GLU HB3 H 2.176 0 2 357 109 37 GLU HG3 H 2.138 0 1 358 109 37 GLU CA C 57.3 0.072 1 359 109 37 GLU CB C 26.414 0.033 1 360 109 37 GLU CG C 37.074 0.018 1 361 109 37 GLU N N 113.786 0.066 1 362 110 38 LYS H H 8.148 0.002 1 363 110 38 LYS HA H 4.252 0.002 1 364 110 38 LYS HB2 H 1.754 0 2 365 110 38 LYS HB3 H 1.375 0.008 2 366 110 38 LYS HG2 H 0.995 0 2 367 110 38 LYS HG3 H 0.412 0.006 2 368 110 38 LYS HD2 H 1.138 0 2 369 110 38 LYS HD3 H 0.986 0 2 370 110 38 LYS HE2 H 2.402 0.001 2 371 110 38 LYS HE3 H 1.968 0.001 2 372 110 38 LYS CA C 54.177 0.078 1 373 110 38 LYS CB C 31.379 0.086 1 374 110 38 LYS CG C 23.616 0.078 1 375 110 38 LYS CD C 26.801 0.039 1 376 110 38 LYS CE C 42.055 0.025 1 377 110 38 LYS N N 113.174 0.012 1 378 111 39 ALA H H 7.493 0.003 1 379 111 39 ALA HA H 4.426 0 1 380 111 39 ALA HB H 1.337 0 1 381 111 39 ALA CA C 50.628 0.049 1 382 111 39 ALA CB C 21.885 0 1 383 111 39 ALA N N 116.494 0.026 1 384 112 40 SER H H 9.183 0.003 1 385 112 40 SER HA H 4.621 0 1 386 112 40 SER HB2 H 3.757 0 2 387 112 40 SER HB3 H 3.905 0 2 388 112 40 SER CA C 59.8 0.088 1 389 112 40 SER CB C 64.867 0.143 1 390 112 40 SER N N 114.069 0.079 1 391 113 41 HIS H H 7.784 0.003 1 392 113 41 HIS HA H 4.665 0.006 1 393 113 41 HIS HB2 H 2.787 0.002 2 394 113 41 HIS HB3 H 2.942 0 2 395 113 41 HIS CA C 56.672 0.075 1 396 113 41 HIS CB C 34.728 0.046 1 397 113 41 HIS N N 120.413 0.051 1 398 114 42 ILE HA H 3.667 0.002 1 399 114 42 ILE HB H 1.819 0.003 1 400 114 42 ILE HG12 H 1.412 0 2 401 114 42 ILE HG13 H 1.094 0.003 2 402 114 42 ILE HG2 H 0.847 0 1 403 114 42 ILE HD1 H 0.81 0 1 404 114 42 ILE CA C 65.496 0.132 1 405 114 42 ILE CB C 38.134 0.028 1 406 114 42 ILE CG1 C 27.147 0.097 1 407 114 42 ILE CG2 C 18.144 0.032 1 408 114 42 ILE CD1 C 14.062 0.053 1 409 115 43 SER H H 9.604 0.003 1 410 115 43 SER HA H 4.275 0.006 1 411 115 43 SER HB2 H 4.07 0 2 412 115 43 SER HB3 H 4.132 0 2 413 115 43 SER CA C 60.676 0.085 1 414 115 43 SER CB C 63.09 0.042 1 415 115 43 SER N N 118.456 0.062 1 416 116 44 GLU H H 7.849 0.001 1 417 116 44 GLU HA H 4.346 0 1 418 116 44 GLU HB2 H 2.363 0 2 419 116 44 GLU HB3 H 2.154 0 2 420 116 44 GLU HG2 H 2.356 0 2 421 116 44 GLU HG3 H 2.485 0 2 422 116 44 GLU CA C 56.72 0.031 1 423 116 44 GLU CB C 31.347 0.058 1 424 116 44 GLU CG C 37.555 0.021 1 425 116 44 GLU N N 119.619 0.013 1 426 117 45 ILE H H 7.426 0.004 1 427 117 45 ILE HA H 4.511 0 1 428 117 45 ILE HB H 1.694 0.003 1 429 117 45 ILE HG12 H 1.713 0 2 430 117 45 ILE HG13 H 0.612 0 2 431 117 45 ILE HG2 H 0.783 0 1 432 117 45 ILE HD1 H 0.822 0 1 433 117 45 ILE CA C 61.209 0.073 1 434 117 45 ILE CB C 40.855 0.045 1 435 117 45 ILE CG1 C 27.045 0.024 1 436 117 45 ILE CG2 C 19.631 0.005 1 437 117 45 ILE CD1 C 16.161 0.049 1 438 117 45 ILE N N 117.002 0.031 1 439 118 46 LYS H H 9.087 0.004 1 440 118 46 LYS HA H 4.584 0.002 1 441 118 46 LYS HB3 H 1.669 0.002 1 442 118 46 LYS HG2 H 1.288 0 2 443 118 46 LYS HG3 H 1.513 0 2 444 118 46 LYS HD2 H 1.689 0 2 445 118 46 LYS HD3 H 1.645 0.005 2 446 118 46 LYS HE2 H 2.947 0 2 447 118 46 LYS HE3 H 2.912 0 2 448 118 46 LYS CA C 54.745 0.063 1 449 118 46 LYS CB C 35.635 0.023 1 450 118 46 LYS CG C 24.885 0.037 1 451 118 46 LYS CD C 29.645 0.051 1 452 118 46 LYS CE C 42.11 0.1 1 453 118 46 LYS N N 128.146 0.068 1 454 119 47 LEU H H 8.597 0.002 1 455 119 47 LEU HA H 5.423 0.002 1 456 119 47 LEU HB2 H 1.171 0.003 2 457 119 47 LEU HB3 H 1.668 0.004 2 458 119 47 LEU HG H 1.462 0 1 459 119 47 LEU HD1 H 0.792 0 2 460 119 47 LEU HD2 H 0.833 0 2 461 119 47 LEU CA C 52.576 0.059 1 462 119 47 LEU CB C 44.072 0.051 1 463 119 47 LEU CG C 26.973 0 1 464 119 47 LEU CD1 C 27.965 0.025 2 465 119 47 LEU CD2 C 25.382 0.043 2 466 119 47 LEU N N 122.89 0.03 1 467 120 48 LEU H H 9.023 0.002 1 468 120 48 LEU HA H 5.414 0.005 1 469 120 48 LEU HB2 H 1.277 0 2 470 120 48 LEU HB3 H 1.501 0.001 2 471 120 48 LEU HG H 1.417 0.003 1 472 120 48 LEU HD1 H 0.757 0 2 473 120 48 LEU HD2 H 0.687 0.001 2 474 120 48 LEU CA C 54.357 0.09 1 475 120 48 LEU CB C 46.645 0.093 1 476 120 48 LEU CG C 28.6 0.068 1 477 120 48 LEU CD1 C 25.986 0.006 2 478 120 48 LEU CD2 C 26.637 0.022 2 479 120 48 LEU N N 120.643 0.035 1 480 121 49 LEU H H 8.579 0.002 1 481 121 49 LEU HA H 4.909 0 1 482 121 49 LEU HB2 H 1.912 0.001 2 483 121 49 LEU HB3 H 1.296 0 2 484 121 49 LEU HG H 1.511 0 1 485 121 49 LEU HD1 H 0.968 0.001 2 486 121 49 LEU HD2 H 0.927 0 2 487 121 49 LEU CA C 53.944 0.078 1 488 121 49 LEU CB C 45.708 0.085 1 489 121 49 LEU CG C 27.929 0 1 490 121 49 LEU CD1 C 23.383 0.003 2 491 121 49 LEU CD2 C 26.664 0.02 2 492 121 49 LEU N N 121.094 0.021 1 493 122 50 LYS H H 9.58 0 1 494 122 50 LYS HA H 3.896 0.001 1 495 122 50 LYS HB2 H 1.895 0.001 2 496 122 50 LYS HB3 H 2.066 0.002 2 497 122 50 LYS HG3 H 1.507 0 1 498 122 50 LYS HD3 H 1.763 0 1 499 122 50 LYS CA C 57.315 0.155 1 500 122 50 LYS CB C 30.296 0.061 1 501 122 50 LYS CG C 25.401 0.052 1 502 122 50 LYS CD C 29.308 0 1 503 122 50 LYS CE C 42.306 0.022 1 504 122 50 LYS N N 128.637 0 1 505 123 51 GLY H H 8.492 0.001 1 506 123 51 GLY HA2 H 3.563 0 2 507 123 51 GLY HA3 H 4.172 0.006 2 508 123 51 GLY CA C 45.475 0.038 1 509 123 51 GLY N N 104.116 0.013 1 510 124 52 LYS H H 7.72 0.002 1 511 124 52 LYS HA H 4.582 0.001 1 512 124 52 LYS HB2 H 1.903 0 2 513 124 52 LYS HB3 H 1.822 0 2 514 124 52 LYS HG2 H 1.379 0 2 515 124 52 LYS HG3 H 1.497 0 2 516 124 52 LYS HD3 H 1.716 0 1 517 124 52 LYS CA C 54.652 0.086 1 518 124 52 LYS CB C 33.798 0.023 1 519 124 52 LYS CG C 24.727 0.079 1 520 124 52 LYS CD C 29.227 0.041 1 521 124 52 LYS CE C 42.252 0 1 522 124 52 LYS N N 122.065 0.008 1 523 125 53 VAL H H 8.527 0.001 1 524 125 53 VAL HA H 4.033 0 1 525 125 53 VAL HB H 1.942 0 1 526 125 53 VAL HG1 H 0.852 0.001 2 527 125 53 VAL HG2 H 0.992 0 2 528 125 53 VAL CA C 63.562 0.061 1 529 125 53 VAL CB C 31.876 0.059 1 530 125 53 VAL CG1 C 21.384 0.031 2 531 125 53 VAL CG2 C 22.456 0.002 2 532 125 53 VAL N N 125.351 0.013 1 533 126 54 LEU H H 8.599 0.002 1 534 126 54 LEU HA H 4.418 0.002 1 535 126 54 LEU HB2 H 1.152 0 2 536 126 54 LEU HB3 H 1.693 0 2 537 126 54 LEU HG H 1.787 0 1 538 126 54 LEU HD1 H 0.74 0 2 539 126 54 LEU HD2 H 0.76 0 2 540 126 54 LEU CA C 53.374 0.063 1 541 126 54 LEU CB C 42.893 0.049 1 542 126 54 LEU CG C 26.091 0.016 1 543 126 54 LEU CD1 C 26.085 0 2 544 126 54 LEU CD2 C 22.317 0.033 2 545 126 54 LEU N N 128.545 0.022 1 546 127 55 HIS H H 7.622 0.002 1 547 127 55 HIS HB2 H 3.096 0 2 548 127 55 HIS HB3 H 3.136 0.004 2 549 127 55 HIS CA C 56.405 0.048 1 550 127 55 HIS CB C 31.948 0.145 1 551 127 55 HIS N N 123.434 0.026 1 552 128 56 ASP H H 7.959 0.003 1 553 128 56 ASP HA H 4.777 0.003 1 554 128 56 ASP HB2 H 2.398 0 2 555 128 56 ASP HB3 H 2.509 0 2 556 128 56 ASP CA C 57.833 0.103 1 557 128 56 ASP CB C 41.703 0.054 1 558 128 56 ASP N N 119.289 0.028 1 559 129 57 ASN H H 8.52 0.003 1 560 129 57 ASN HA H 4.603 0.001 1 561 129 57 ASN HB3 H 2.855 0.005 1 562 129 57 ASN HD21 H 6.85 0.002 1 563 129 57 ASN HD22 H 7.635 0.001 1 564 129 57 ASN CA C 52.692 0 1 565 129 57 ASN CB C 38.112 0.01 1 566 129 57 ASN N N 112.543 0.055 1 567 129 57 ASN ND2 N 111.948 0.024 1 568 130 58 LEU H H 7.305 0.001 1 569 130 58 LEU HA H 4.148 0 1 570 130 58 LEU HB2 H 1.453 0 2 571 130 58 LEU HB3 H 1.575 0.004 2 572 130 58 LEU HG H 1.583 0 1 573 130 58 LEU HD1 H 0.836 0 2 574 130 58 LEU HD2 H 0.89 0 2 575 130 58 LEU CA C 55.438 0.05 1 576 130 58 LEU CB C 42.387 0.126 1 577 130 58 LEU CG C 26.844 0.064 1 578 130 58 LEU CD1 C 25.615 0 2 579 130 58 LEU CD2 C 24.977 0 2 580 130 58 LEU N N 122.033 0.033 1 581 131 59 PHE H H 8.698 0.003 1 582 131 59 PHE HA H 4.848 0 1 583 131 59 PHE HB2 H 2.913 0.008 2 584 131 59 PHE HB3 H 3.358 0 2 585 131 59 PHE HD1 H 7.386 0 3 586 131 59 PHE HD2 H 7.386 0 3 587 131 59 PHE CA C 57.914 0.011 1 588 131 59 PHE CB C 40.22 0.084 1 589 131 59 PHE N N 121.779 0.058 1 590 132 60 LEU H H 9.07 0.002 1 591 132 60 LEU HA H 3.952 0 1 592 132 60 LEU HB2 H 1.436 0 2 593 132 60 LEU HB3 H 1.98 0.004 2 594 132 60 LEU HG H 1.563 0 1 595 132 60 LEU HD1 H 0.574 0 2 596 132 60 LEU HD2 H 0.716 0 2 597 132 60 LEU CA C 57.976 0.028 1 598 132 60 LEU CB C 40.263 0.076 1 599 132 60 LEU CG C 27.79 0.021 1 600 132 60 LEU CD1 C 23.699 0.021 2 601 132 60 LEU CD2 C 25.686 0.042 2 602 132 60 LEU N N 122.735 0.017 1 603 133 61 SER H H 8.816 0.003 1 604 133 61 SER HA H 4.193 0.002 1 605 133 61 SER HB2 H 3.849 0 2 606 133 61 SER HB3 H 4.042 0 2 607 133 61 SER CA C 60.546 0.051 1 608 133 61 SER CB C 62.497 0.032 1 609 133 61 SER N N 113.646 0.013 1 610 134 62 ASP H H 7.846 0.003 1 611 134 62 ASP HA H 4.779 0.001 1 612 134 62 ASP HB2 H 2.912 0 2 613 134 62 ASP HB3 H 3.074 0 2 614 134 62 ASP CA C 55.869 0.042 1 615 134 62 ASP CB C 41.556 0.033 1 616 134 62 ASP N N 121.272 0.023 1 617 135 63 LEU H H 7.615 0.004 1 618 135 63 LEU HA H 4.193 0.008 1 619 135 63 LEU HB3 H 1.865 0.002 1 620 135 63 LEU HG H 1.85 0 1 621 135 63 LEU HD1 H 0.816 0 2 622 135 63 LEU HD2 H 1.043 0 2 623 135 63 LEU CA C 55.599 0.086 1 624 135 63 LEU CB C 42.898 0.014 1 625 135 63 LEU CG C 26.987 0 1 626 135 63 LEU CD1 C 23.447 0 2 627 135 63 LEU CD2 C 25.995 0 2 628 135 63 LEU N N 119.216 0.014 1 629 136 64 LYS H H 7.968 0.004 1 630 136 64 LYS HA H 4.139 0 1 631 136 64 LYS CA C 56.148 0.075 1 632 136 64 LYS CB C 29.329 0.027 1 633 136 64 LYS N N 118.147 0.001 1 634 137 65 VAL H H 8.155 0.004 1 635 137 65 VAL HA H 4.308 0.002 1 636 137 65 VAL HB H 2.154 0 1 637 137 65 VAL HG1 H 0.885 0 2 638 137 65 VAL HG2 H 0.883 0 2 639 137 65 VAL CA C 62.677 0.065 1 640 137 65 VAL CB C 32.58 0.055 1 641 137 65 VAL CG1 C 21.976 0.09 2 642 137 65 VAL CG2 C 20.424 0.105 2 643 137 65 VAL N N 117.312 0.031 1 644 138 66 THR H H 7.722 0.003 1 645 138 66 THR HA H 4.897 0.002 1 646 138 66 THR HB H 4.594 0.001 1 647 138 66 THR HG2 H 1.28 0 1 648 138 66 THR CA C 59.005 0.065 1 649 138 66 THR CB C 69.718 0.122 1 650 138 66 THR CG2 C 22.176 0.034 1 651 138 66 THR N N 116.19 0.034 1 652 139 67 PRO HA H 4.362 0.001 1 653 139 67 PRO HB2 H 1.953 0.009 2 654 139 67 PRO HB3 H 2.433 0.005 2 655 139 67 PRO HG2 H 2.049 0 2 656 139 67 PRO HG3 H 2.218 0 2 657 139 67 PRO HD2 H 3.925 0 2 658 139 67 PRO HD3 H 3.845 0 2 659 139 67 PRO CA C 66.508 0.131 1 660 139 67 PRO CB C 31.676 0.067 1 661 139 67 PRO CG C 28.171 0.008 1 662 139 67 PRO CD C 50.445 0.041 1 663 140 68 ALA HA H 4.369 0 1 664 140 68 ALA HB H 1.407 0 1 665 140 68 ALA CA C 53.014 0.1 1 666 140 68 ALA CB C 19.088 0.03 1 667 141 69 ASN H H 8.102 0.003 1 668 141 69 ASN HA H 5.118 0 1 669 141 69 ASN HB2 H 2.975 0.008 2 670 141 69 ASN HB3 H 2.595 0.004 2 671 141 69 ASN HD21 H 6.595 0.001 1 672 141 69 ASN HD22 H 7.456 0.005 1 673 141 69 ASN CA C 52.192 0.113 1 674 141 69 ASN CB C 39.126 0.039 1 675 141 69 ASN N N 119.765 0.068 1 676 141 69 ASN ND2 N 111.242 0.037 1 677 142 70 SER H H 8.237 0.003 1 678 142 70 SER HA H 4.598 0 1 679 142 70 SER HB2 H 4.103 0 2 680 142 70 SER HB3 H 4.483 0 2 681 142 70 SER CA C 57.467 0.031 1 682 142 70 SER CB C 63.617 0.05 1 683 142 70 SER N N 112.409 0.037 1 684 143 71 THR H H 8.118 0.004 1 685 143 71 THR HA H 5.194 0 1 686 143 71 THR HB H 4.063 0 1 687 143 71 THR HG2 H 1.071 0.002 1 688 143 71 THR CA C 62.147 0.059 1 689 143 71 THR CB C 69.511 0.094 1 690 143 71 THR CG2 C 21.657 0 1 691 143 71 THR N N 117.575 0.059 1 692 144 72 ILE H H 9.63 0.003 1 693 144 72 ILE HA H 4.491 0.003 1 694 144 72 ILE HB H 1.973 0 1 695 144 72 ILE HG12 H 1.274 0 2 696 144 72 ILE HG13 H 1.326 0 2 697 144 72 ILE HG2 H 0.864 0 1 698 144 72 ILE HD1 H 0.63 0.001 1 699 144 72 ILE CA C 58.817 0.061 1 700 144 72 ILE CB C 39.406 0.046 1 701 144 72 ILE CG1 C 28.531 0.035 1 702 144 72 ILE CG2 C 19.041 0.031 1 703 144 72 ILE CD1 C 11.731 0.042 1 704 144 72 ILE N N 131.238 0.041 1 705 145 73 THR H H 9.239 0.003 1 706 145 73 THR HA H 4.845 0 1 707 145 73 THR HB H 4.135 0 1 708 145 73 THR HG2 H 1.246 0.003 1 709 145 73 THR CA C 62.781 0 1 710 145 73 THR CB C 69.817 0 1 711 145 73 THR CG2 C 21.738 0 1 712 145 73 THR N N 124.953 0.036 1 713 146 74 VAL H H 8.766 0.003 1 714 146 74 VAL HA H 4.479 0.002 1 715 146 74 VAL HB H 1.629 0.003 1 716 146 74 VAL HG1 H 0.872 0 2 717 146 74 VAL HG2 H 0.912 0.001 2 718 146 74 VAL CA C 61.019 0.047 1 719 146 74 VAL CB C 33.51 0.071 1 720 146 74 VAL CG1 C 21.402 0 2 721 146 74 VAL CG2 C 22.14 0.003 2 722 146 74 VAL N N 126.947 0.013 1 723 147 75 MET H H 9.172 0.003 1 724 147 75 MET HA H 4.846 0 1 725 147 75 MET HB2 H 1.847 0 2 726 147 75 MET HB3 H 2.069 0.003 2 727 147 75 MET HG3 H 2.39 0.005 1 728 147 75 MET CA C 54.308 0.098 1 729 147 75 MET CB C 34.833 0.05 1 730 147 75 MET CG C 32.023 0.043 1 731 147 75 MET N N 126.593 0.063 1 732 148 76 ILE H H 8.734 0.003 1 733 148 76 ILE HA H 5.083 0.001 1 734 148 76 ILE HB H 1.721 0.003 1 735 148 76 ILE HG12 H 1.093 0 2 736 148 76 ILE HG13 H 1.575 0 2 737 148 76 ILE HG2 H 0.95 0 1 738 148 76 ILE HD1 H 0.923 0 1 739 148 76 ILE CA C 58.986 0.03 1 740 148 76 ILE CB C 40.144 0.063 1 741 148 76 ILE CG1 C 28.106 0.024 1 742 148 76 ILE CG2 C 17.422 0.049 1 743 148 76 ILE CD1 C 12.924 0.036 1 744 148 76 ILE N N 123.832 0.038 1 745 149 77 LYS H H 9.026 0.002 1 746 149 77 LYS HA H 4.779 0.002 1 747 149 77 LYS HB2 H 1.896 0.005 2 748 149 77 LYS HB3 H 1.723 0.002 2 749 149 77 LYS HG2 H 1.389 0.008 2 750 149 77 LYS HG3 H 1.476 0.002 2 751 149 77 LYS HD3 H 1.717 0 1 752 149 77 LYS HE2 H 3.063 0.002 2 753 149 77 LYS HE3 H 3.02 0.003 2 754 149 77 LYS CA C 53.525 0.072 1 755 149 77 LYS CB C 33.742 0.076 1 756 149 77 LYS CG C 24.689 0.089 1 757 149 77 LYS CD C 29.298 0.118 1 758 149 77 LYS CE C 42.229 0.076 1 759 149 77 LYS N N 131.003 0.02 1 760 150 78 PRO HB2 H 2.299 0.002 2 761 150 78 PRO HB3 H 1.843 0.002 2 762 150 78 PRO HG2 H 2.061 0.002 2 763 150 78 PRO HG3 H 1.975 0 2 764 150 78 PRO HD2 H 3.737 0 2 765 150 78 PRO HD3 H 3.808 0.001 2 766 150 78 PRO CA C 62.994 0.028 1 767 150 78 PRO CB C 32.34 0.044 1 768 150 78 PRO CG C 27.602 0.039 1 769 150 78 PRO CD C 51.015 0.034 1 770 151 79 ASN H H 9.268 0.002 1 771 151 79 ASN HA H 4.782 0 1 772 151 79 ASN HB2 H 2.818 0 2 773 151 79 ASN HB3 H 2.785 0 2 774 151 79 ASN HD21 H 7.617 0 1 775 151 79 ASN HD22 H 6.865 0 1 776 151 79 ASN CA C 53.17 0.093 1 777 151 79 ASN CB C 38.82 0.071 1 778 151 79 ASN N N 121.171 0.016 1 779 151 79 ASN ND2 N 112.456 0 1 780 152 80 LEU H H 8.36 0.003 1 781 152 80 LEU CA C 55.249 0 1 782 152 80 LEU CB C 42.144 0 1 783 152 80 LEU N N 123.36 0.005 1 784 159 87 HIS H H 7.981 0.001 1 785 159 87 HIS CA C 57.466 0 1 786 159 87 HIS N N 125.606 0.003 1 stop_ save_