data_26967 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignments of Dictyostelium GlcNAc-Skp1 ; _BMRB_accession_number 26967 _BMRB_flat_file_name bmr26967.str _Entry_type original _Submission_date 2016-12-07 _Accession_date 2016-12-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignemtns of HN,N,C,Ca,Cb,CD1/HD1 of ILE, and methyls in VAL and LEU of GlcNAc-Skp1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Xianzhong . . 2 Eletsky Alexander . . 3 Sheikh 'M. Osman' . . 4 Prestegard James H. . 5 West Christopher M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 185 "13C chemical shifts" 476 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-09 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26968 'Dictyostelium Skp1' stop_ _Original_release_date 2016-12-07 save_ ############################# # Citation for this entry # ############################# save_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Glycosylation Promotes the Random Coil to Helix Transition in a Region of a Protist Skp1 Associated with F-Box Binding.' ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29251491 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Xianzhong . . 2 Eletsky Alexander . . 3 Sheikh 'M. Osman' . . 4 Prestegard James H. . 5 West Christopher M. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 57 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 511 _Page_last 515 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GlcNAc-Skp1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GlcNAc-Skp1 $GlcNAc-Skp1 stop_ _System_molecular_weight 18794 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Part of Skp1/Cullin-1/F-box protein(SCF) complex involved in ubiquitin degradation.' stop_ _Database_query_date . _Details 'Proline-163 modified with O-GlcNAc' save_ ######################## # Monomeric polymers # ######################## save_GlcNAc-Skp1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GlcNAc-Skp1 _Molecular_mass . _Mol_thiol_state 'all free' _Details ; First Methionine was cleaved. Pro163 was hydroxylated and modified with GlcNAc ; ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; SLVKLESSDEKVFEIEKEIA CMSVTIKNMIEDIGESDSPI PLPNVTSTILEKVLDYCRHH HQHPSPQGDDKKDEKRLDDI PPYDRDFCKVDQPTLFELIL AANYLDIKPLLDVTCKTVAN MIRGKTPEEIRKIFNIKNDF TPEEEEQIRKENEWCEDKGG N ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 SER 2 3 LEU 3 4 VAL 4 5 LYS 5 6 LEU 6 7 GLU 7 8 SER 8 9 SER 9 10 ASP 10 11 GLU 11 12 LYS 12 13 VAL 13 14 PHE 14 15 GLU 15 16 ILE 16 17 GLU 17 18 LYS 18 19 GLU 19 20 ILE 20 21 ALA 21 22 CYS 22 23 MET 23 24 SER 24 25 VAL 25 26 THR 26 27 ILE 27 28 LYS 28 29 ASN 29 30 MET 30 31 ILE 31 32 GLU 32 33 ASP 33 34 ILE 34 35 GLY 35 36 GLU 36 37 SER 37 38 ASP 38 39 SER 39 40 PRO 40 41 ILE 41 42 PRO 42 43 LEU 43 44 PRO 44 45 ASN 45 46 VAL 46 47 THR 47 48 SER 48 49 THR 49 50 ILE 50 51 LEU 51 52 GLU 52 53 LYS 53 54 VAL 54 55 LEU 55 56 ASP 56 57 TYR 57 58 CYS 58 59 ARG 59 60 HIS 60 61 HIS 61 62 HIS 62 63 GLN 63 64 HIS 64 65 PRO 65 66 SER 66 67 PRO 67 68 GLN 68 69 GLY 69 70 ASP 70 71 ASP 71 72 LYS 72 73 LYS 73 74 ASP 74 75 GLU 75 76 LYS 76 77 ARG 77 78 LEU 78 79 ASP 79 80 ASP 80 81 ILE 81 82 PRO 82 83 PRO 83 84 TYR 84 85 ASP 85 86 ARG 86 87 ASP 87 88 PHE 88 89 CYS 89 90 LYS 90 91 VAL 91 92 ASP 92 93 GLN 93 94 PRO 94 95 THR 95 96 LEU 96 97 PHE 97 98 GLU 98 99 LEU 99 100 ILE 100 101 LEU 101 102 ALA 102 103 ALA 103 104 ASN 104 105 TYR 105 106 LEU 106 107 ASP 107 108 ILE 108 109 LYS 109 110 PRO 110 111 LEU 111 112 LEU 112 113 ASP 113 114 VAL 114 115 THR 115 116 CYS 116 117 LYS 117 118 THR 118 119 VAL 119 120 ALA 120 121 ASN 121 122 MET 122 123 ILE 123 124 ARG 124 125 GLY 125 126 LYS 126 127 THR 127 128 PRO 128 129 GLU 129 130 GLU 130 131 ILE 131 132 ARG 132 133 LYS 133 134 ILE 134 135 PHE 135 136 ASN 136 137 ILE 137 138 LYS 138 139 ASN 139 140 ASP 140 141 PHE 141 142 THR 142 143 PRO 143 144 GLU 144 145 GLU 145 146 GLU 146 147 GLU 147 148 GLN 148 149 ILE 149 150 ARG 150 151 LYS 151 152 GLU 152 153 ASN 153 154 GLU 154 155 TRP 155 156 CYS 156 157 GLU 157 158 ASP 158 159 LYS 159 160 GLY 160 161 GLY 161 162 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GlcNAc-Skp1 '"cellular slime molds' 44689 Eukaryota . Dictyostelium discoideum 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 $GlcNAc-Skp1 'recombinant technology' . Escherichia coli . pET19b-Skp1-P4H1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_ILV_GlcNAc_Skp1 _Saveframe_category sample _Sample_type solution _Details 'Perdeuterated,and with methyl groups of Val,Leu, and Ile(CD1/HD1) protonated' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GlcNAc-Skp1 1 mM '[U-13C; U-15N; U-2H] and methyls of I(CD1/HD1)LV protonated' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 0.05% w/w 'natural abundance' DSS 50 uM 'natural abundance' 'magnesium chloride' 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' D2O 10% v/v '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 4.2 loop_ _Vendor _Address _Electronic_address Agilent . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version linux212_64 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version cara1.2.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address 'TD Goddard and DG Kneller' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $ILV_GlcNAc_Skp1 save_ save_2D_1H-15N_HSQC(TROSY)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC(TROSY)' _Sample_label $ILV_GlcNAc_Skp1 save_ save_2D_ct-1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D ct-1H-13C HSQC aliphatic' _Sample_label $ILV_GlcNAc_Skp1 save_ save_3D_TROSY-HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $ILV_GlcNAc_Skp1 save_ save_3D_TROSY-HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $ILV_GlcNAc_Skp1 save_ save_3D_TROSY-HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $ILV_GlcNAc_Skp1 save_ save_3D_TROSY-HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _Sample_label $ILV_GlcNAc_Skp1 save_ save_3D_TROSY-HN(COCA)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(COCA)CB' _Sample_label $ILV_GlcNAc_Skp1 save_ save_3D_HMCM(CG)CBCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HMCM(CG)CBCA' _Sample_label $ILV_GlcNAc_Skp1 save_ save_3D_TROSY-HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label $ILV_GlcNAc_Skp1 save_ save_3D_15N/13Cali/13Caro-resolved-1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13Cali/13Caro-resolved-1H-1H NOESY' _Sample_label $ILV_GlcNAc_Skp1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure 1 . atm temperature 308.2 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Used DSS as reference' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . 'In the sample' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'In the sample' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'in the sample' . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMRJ $NMRPipe $CARA $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-15N HSQC(TROSY)' '2D ct-1H-13C HSQC aliphatic' '3D TROSY-HNCA' '3D TROSY-HNCO' '3D TROSY-HNCACB' '3D TROSY-HN(CO)CA' '3D TROSY-HN(COCA)CB' '3D HMCM(CG)CBCA' '3D TROSY-HN(CA)CO' '3D 15N/13Cali/13Caro-resolved-1H-1H NOESY' stop_ loop_ _Sample_label $ILV_GlcNAc_Skp1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GlcNAc-Skp1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 2 LEU HD1 H 0.699 0.020 2 2 3 2 LEU HD2 H 0.806 0.020 2 3 3 2 LEU C C 176.921 0.1 1 4 3 2 LEU CA C 54.196 0.1 1 5 3 2 LEU CB C 42.503 0.1 1 6 3 2 LEU CG C 26.239 0.1 1 7 3 2 LEU CD1 C 22.988 0.1 2 8 3 2 LEU CD2 C 25.165 0.1 2 9 4 3 VAL H H 9.062 0.020 1 10 4 3 VAL HG1 H 0.819 0.020 2 11 4 3 VAL HG2 H 0.806 0.020 2 12 4 3 VAL C C 173.486 0.1 1 13 4 3 VAL CA C 59.812 0.1 1 14 4 3 VAL CB C 33.823 0.1 1 15 4 3 VAL CG1 C 21.035 0.1 2 16 4 3 VAL CG2 C 20.325 0.1 2 17 4 3 VAL N N 119.682 0.1 1 18 5 4 LYS H H 8.385 0.020 1 19 5 4 LYS C C 175.162 0.1 1 20 5 4 LYS CA C 54.310 0.1 1 21 5 4 LYS CB C 33.813 0.1 1 22 5 4 LYS N N 121.635 0.1 1 23 6 5 LEU H H 9.124 0.020 1 24 6 5 LEU HD1 H 0.826 0.020 2 25 6 5 LEU HD2 H 0.858 0.020 2 26 6 5 LEU C C 174.921 0.1 1 27 6 5 LEU CA C 52.299 0.1 1 28 6 5 LEU CB C 44.153 0.1 1 29 6 5 LEU CD1 C 26.666 0.1 2 30 6 5 LEU CD2 C 23.443 0.1 2 31 6 5 LEU N N 122.141 0.1 1 32 7 6 GLU H H 8.871 0.020 1 33 7 6 GLU C C 175.157 0.1 1 34 7 6 GLU CA C 53.553 0.1 1 35 7 6 GLU CB C 32.581 0.1 1 36 7 6 GLU N N 123.836 0.1 1 37 8 7 SER H H 9.037 0.020 1 38 8 7 SER HG H 5.571 0.020 1 39 8 7 SER C C 176.802 0.1 1 40 8 7 SER CA C 58.204 0.1 1 41 8 7 SER CB C 64.536 0.1 1 42 8 7 SER N N 119.631 0.1 1 43 9 8 SER H H 9.359 0.020 1 44 9 8 SER C C 174.947 0.1 1 45 9 8 SER CA C 61.193 0.1 1 46 9 8 SER CB C 62.327 0.1 1 47 9 8 SER N N 118.174 0.1 1 48 10 9 ASP H H 9.219 0.020 1 49 10 9 ASP C C 174.249 0.1 1 50 10 9 ASP CA C 52.177 0.1 1 51 10 9 ASP CB C 36.601 0.1 1 52 10 9 ASP N N 116.463 0.1 1 53 11 10 GLU H H 8.009 0.020 1 54 11 10 GLU C C 174.937 0.1 1 55 11 10 GLU CA C 57.443 0.1 1 56 11 10 GLU CB C 25.416 0.1 1 57 11 10 GLU N N 112.337 0.1 1 58 12 11 LYS H H 7.213 0.020 1 59 12 11 LYS C C 174.787 0.1 1 60 12 11 LYS CA C 54.519 0.1 1 61 12 11 LYS CB C 32.242 0.1 1 62 12 11 LYS N N 118.525 0.1 1 63 13 12 VAL H H 8.102 0.020 1 64 13 12 VAL HG1 H 0.846 0.020 2 65 13 12 VAL HG2 H 0.786 0.020 2 66 13 12 VAL C C 175.844 0.1 1 67 13 12 VAL CA C 60.957 0.1 1 68 13 12 VAL CB C 32.429 0.1 1 69 13 12 VAL CG1 C 21.903 0.1 2 70 13 12 VAL CG2 C 21.493 0.1 2 71 13 12 VAL N N 122.141 0.1 1 72 14 13 PHE H H 9.492 0.020 1 73 14 13 PHE C C 174.257 0.1 1 74 14 13 PHE CA C 56.168 0.1 1 75 14 13 PHE CB C 41.130 0.1 1 76 14 13 PHE N N 127.338 0.1 1 77 15 14 GLU H H 8.624 0.020 1 78 15 14 GLU C C 175.472 0.1 1 79 15 14 GLU CA C 54.478 0.1 1 80 15 14 GLU CB C 30.994 0.1 1 81 15 14 GLU N N 121.934 0.1 1 82 16 15 ILE H H 9.011 0.020 1 83 16 15 ILE HD1 H 0.941 0.020 1 84 16 15 ILE C C 172.463 0.1 1 85 16 15 ILE CA C 57.902 0.1 1 86 16 15 ILE CB C 41.794 0.1 1 87 16 15 ILE CG1 C 27.307 0.1 1 88 16 15 ILE CD1 C 15.004 0.1 1 89 16 15 ILE N N 122.742 0.1 1 90 17 16 GLU H H 9.189 0.020 1 91 17 16 GLU C C 178.298 0.1 1 92 17 16 GLU CA C 57.984 0.1 1 93 17 16 GLU CB C 28.277 0.1 1 94 17 16 GLU N N 126.303 0.1 1 95 18 17 LYS H H 8.915 0.020 1 96 18 17 LYS C C 177.701 0.1 1 97 18 17 LYS CA C 60.416 0.1 1 98 18 17 LYS CB C 31.736 0.1 1 99 18 17 LYS N N 125.890 0.1 1 100 19 18 GLU H H 9.450 0.020 1 101 19 18 GLU C C 177.792 0.1 1 102 19 18 GLU CA C 59.159 0.1 1 103 19 18 GLU CB C 28.213 0.1 1 104 19 18 GLU N N 115.152 0.1 1 105 20 19 ILE H H 6.749 0.020 1 106 20 19 ILE HD1 H 0.729 0.020 1 107 20 19 ILE C C 177.261 0.1 1 108 20 19 ILE CA C 63.369 0.1 1 109 20 19 ILE CB C 36.270 0.1 1 110 20 19 ILE CG1 C 27.145 0.1 1 111 20 19 ILE CG2 C 22.459 0.1 1 112 20 19 ILE CD1 C 12.754 0.1 1 113 20 19 ILE N N 116.012 0.1 1 114 21 20 ALA H H 7.608 0.020 1 115 21 20 ALA C C 178.427 0.1 1 116 21 20 ALA CA C 54.470 0.1 1 117 21 20 ALA CB C 17.284 0.1 1 118 21 20 ALA N N 120.145 0.1 1 119 22 21 CYS H H 7.734 0.020 1 120 22 21 CYS C C 173.762 0.1 1 121 22 21 CYS CA C 62.053 0.1 1 122 22 21 CYS CB C 26.316 0.1 1 123 22 21 CYS N N 107.270 0.1 1 124 23 22 MET H H 7.569 0.020 1 125 23 22 MET C C 177.244 0.1 1 126 23 22 MET CA C 58.314 0.1 1 127 23 22 MET CB C 31.974 0.1 1 128 23 22 MET N N 118.762 0.1 1 129 24 23 SER H H 7.491 0.020 1 130 24 23 SER HG H 6.981 0.020 1 131 24 23 SER C C 174.339 0.1 1 132 24 23 SER CA C 55.196 0.1 1 133 24 23 SER CB C 61.927 0.1 1 134 24 23 SER N N 109.835 0.1 1 135 25 24 VAL H H 7.992 0.020 1 136 25 24 VAL HG1 H 0.998 0.020 2 137 25 24 VAL HG2 H 1.153 0.020 2 138 25 24 VAL C C 177.400 0.1 1 139 25 24 VAL CA C 66.053 0.1 1 140 25 24 VAL CB C 31.085 0.1 1 141 25 24 VAL CG1 C 21.662 0.1 2 142 25 24 VAL CG2 C 23.082 0.1 2 143 25 24 VAL N N 131.173 0.1 1 144 26 25 THR H H 7.219 0.020 1 145 26 25 THR C C 176.125 0.1 1 146 26 25 THR CA C 65.207 0.1 1 147 26 25 THR CB C 69.020 0.1 1 148 26 25 THR N N 113.993 0.1 1 149 27 26 ILE H H 8.195 0.020 1 150 27 26 ILE HD1 H 0.866 0.020 1 151 27 26 ILE C C 176.938 0.1 1 152 27 26 ILE CA C 65.241 0.1 1 153 27 26 ILE CB C 35.932 0.1 1 154 27 26 ILE CD1 C 12.447 0.1 1 155 27 26 ILE N N 121.601 0.1 1 156 28 27 LYS H H 8.567 0.020 1 157 28 27 LYS C C 178.863 0.1 1 158 28 27 LYS CA C 60.026 0.1 1 159 28 27 LYS CB C 31.541 0.1 1 160 28 27 LYS N N 120.908 0.1 1 161 29 28 ASN H H 8.328 0.020 1 162 29 28 ASN HD21 H 6.783 0.020 2 163 29 28 ASN HD22 H 7.586 0.020 2 164 29 28 ASN C C 177.989 0.1 1 165 29 28 ASN CA C 55.148 0.1 1 166 29 28 ASN CB C 37.021 0.1 1 167 29 28 ASN N N 115.509 0.1 1 168 29 28 ASN ND2 N 111.297 0.1 1 169 30 29 MET H H 7.906 0.020 1 170 30 29 MET C C 178.600 0.1 1 171 30 29 MET CA C 59.123 0.1 1 172 30 29 MET CB C 32.476 0.1 1 173 30 29 MET N N 120.121 0.1 1 174 31 30 ILE H H 8.522 0.020 1 175 31 30 ILE HD1 H 0.704 0.020 1 176 31 30 ILE C C 178.787 0.1 1 177 31 30 ILE CA C 64.487 0.1 1 178 31 30 ILE CB C 37.059 0.1 1 179 31 30 ILE CG1 C 28.141 0.1 1 180 31 30 ILE CD1 C 15.063 0.1 1 181 31 30 ILE N N 118.387 0.1 1 182 32 31 GLU H H 7.794 0.020 1 183 32 31 GLU C C 177.971 0.1 1 184 32 31 GLU CA C 58.454 0.1 1 185 32 31 GLU CB C 28.440 0.1 1 186 32 31 GLU N N 119.268 0.1 1 187 33 32 ASP H H 7.721 0.020 1 188 33 32 ASP C C 177.621 0.1 1 189 33 32 ASP CA C 55.860 0.1 1 190 33 32 ASP CB C 41.159 0.1 1 191 33 32 ASP N N 117.520 0.1 1 192 34 33 ILE H H 8.021 0.020 1 193 34 33 ILE HD1 H 0.873 0.020 1 194 34 33 ILE C C 177.565 0.1 1 195 34 33 ILE CA C 62.339 0.1 1 196 34 33 ILE CB C 38.415 0.1 1 197 34 33 ILE CD1 C 13.730 0.1 1 198 34 33 ILE N N 116.779 0.1 1 199 35 34 GLY H H 7.949 0.020 1 200 35 34 GLY C C 173.772 0.1 1 201 35 34 GLY CA C 44.766 0.1 1 202 35 34 GLY N N 109.139 0.1 1 203 36 35 GLU H H 8.281 0.020 1 204 36 35 GLU C C 176.316 0.1 1 205 36 35 GLU CA C 56.028 0.1 1 206 36 35 GLU CB C 28.817 0.1 1 207 36 35 GLU N N 121.012 0.1 1 208 37 36 SER H H 8.180 0.020 1 209 37 36 SER C C 174.122 0.1 1 210 37 36 SER CA C 57.368 0.1 1 211 37 36 SER CB C 63.868 0.1 1 212 37 36 SER N N 117.317 0.1 1 213 38 37 ASP H H 8.542 0.020 1 214 38 37 ASP C C 176.211 0.1 1 215 38 37 ASP CA C 53.772 0.1 1 216 38 37 ASP CB C 40.441 0.1 1 217 38 37 ASP N N 122.886 0.1 1 218 39 38 SER H H 8.054 0.020 1 219 39 38 SER C C 172.177 0.1 1 220 39 38 SER CA C 56.469 0.1 1 221 39 38 SER CB C 62.506 0.1 1 222 39 38 SER N N 116.140 0.1 1 223 40 39 PRO C C 176.105 0.1 1 224 40 39 PRO CA C 61.882 0.1 1 225 40 39 PRO CB C 31.796 0.1 1 226 41 40 ILE H H 8.885 0.020 1 227 41 40 ILE HD1 H 0.779 0.020 1 228 41 40 ILE C C 173.807 0.1 1 229 41 40 ILE CA C 58.316 0.1 1 230 41 40 ILE CB C 38.055 0.1 1 231 41 40 ILE CD1 C 13.210 0.1 1 232 41 40 ILE N N 126.146 0.1 1 233 42 41 PRO C C 176.326 0.1 1 234 42 41 PRO CA C 62.330 0.1 1 235 42 41 PRO CB C 31.272 0.1 1 236 43 42 LEU H H 8.633 0.020 1 237 43 42 LEU HD1 H 0.845 0.020 2 238 43 42 LEU HD2 H 0.777 0.020 2 239 43 42 LEU C C 174.385 0.1 1 240 43 42 LEU CA C 50.518 0.1 1 241 43 42 LEU CB C 41.680 0.1 1 242 43 42 LEU CG C 25.160 0.1 1 243 43 42 LEU CD1 C 28.298 0.1 2 244 43 42 LEU CD2 C 23.238 0.1 2 245 43 42 LEU N N 121.793 0.1 1 246 44 43 PRO C C 176.740 0.1 1 247 44 43 PRO CA C 63.568 0.1 1 248 44 43 PRO CB C 31.029 0.1 1 249 45 44 ASN H H 6.817 0.020 1 250 45 44 ASN C C 173.972 0.1 1 251 45 44 ASN CA C 51.947 0.1 1 252 45 44 ASN CB C 37.036 0.1 1 253 45 44 ASN N N 111.548 0.1 1 254 46 45 VAL H H 7.585 0.020 1 255 46 45 VAL HG1 H 1.080 0.020 2 256 46 45 VAL HG2 H 1.056 0.020 2 257 46 45 VAL C C 173.468 0.1 1 258 46 45 VAL CA C 59.929 0.1 1 259 46 45 VAL CB C 34.241 0.1 1 260 46 45 VAL CG1 C 22.275 0.1 2 261 46 45 VAL CG2 C 21.585 0.1 2 262 46 45 VAL N N 116.911 0.1 1 263 47 46 THR H H 8.273 0.020 1 264 47 46 THR C C 176.418 0.1 1 265 47 46 THR CA C 60.980 0.1 1 266 47 46 THR CB C 70.709 0.1 1 267 47 46 THR N N 117.412 0.1 1 268 48 47 SER H H 9.815 0.020 1 269 48 47 SER C C 176.512 0.1 1 270 48 47 SER CA C 61.690 0.1 1 271 48 47 SER CB C 60.493 0.1 1 272 48 47 SER N N 117.770 0.1 1 273 49 48 THR H H 7.772 0.020 1 274 49 48 THR C C 176.384 0.1 1 275 49 48 THR CA C 65.190 0.1 1 276 49 48 THR CB C 68.208 0.1 1 277 49 48 THR N N 115.177 0.1 1 278 50 49 ILE H H 6.911 0.020 1 279 50 49 ILE HD1 H 0.664 0.020 1 280 50 49 ILE C C 177.624 0.1 1 281 50 49 ILE CA C 59.812 0.1 1 282 50 49 ILE CB C 34.244 0.1 1 283 50 49 ILE CG1 C 25.941 0.1 1 284 50 49 ILE CD1 C 8.665 0.1 1 285 50 49 ILE N N 119.905 0.1 1 286 51 50 LEU H H 9.066 0.020 1 287 51 50 LEU HD1 H 0.626 0.020 2 288 51 50 LEU HD2 H 0.488 0.020 2 289 51 50 LEU C C 177.514 0.1 1 290 51 50 LEU CA C 57.191 0.1 1 291 51 50 LEU CB C 39.982 0.1 1 292 51 50 LEU CD1 C 21.480 0.1 2 293 51 50 LEU CD2 C 26.146 0.1 2 294 51 50 LEU N N 122.062 0.1 1 295 52 51 GLU H H 8.430 0.020 1 296 52 51 GLU C C 178.527 0.1 1 297 52 51 GLU CA C 59.570 0.1 1 298 52 51 GLU CB C 28.985 0.1 1 299 52 51 GLU N N 116.639 0.1 1 300 53 52 LYS H H 6.838 0.020 1 301 53 52 LYS C C 178.861 0.1 1 302 53 52 LYS CA C 58.590 0.1 1 303 53 52 LYS CB C 31.817 0.1 1 304 53 52 LYS N N 117.141 0.1 1 305 54 53 VAL H H 8.454 0.020 1 306 54 53 VAL HG1 H 0.711 0.020 2 307 54 53 VAL HG2 H 0.880 0.020 2 308 54 53 VAL C C 178.381 0.1 1 309 54 53 VAL CA C 66.572 0.1 1 310 54 53 VAL CB C 31.029 0.1 1 311 54 53 VAL CG1 C 21.602 0.1 2 312 54 53 VAL CG2 C 22.750 0.1 2 313 54 53 VAL N N 118.747 0.1 1 314 55 54 LEU H H 8.827 0.020 1 315 55 54 LEU HD1 H 0.544 0.020 2 316 55 54 LEU HD2 H 0.597 0.020 2 317 55 54 LEU C C 178.988 0.1 1 318 55 54 LEU CA C 57.704 0.1 1 319 55 54 LEU CB C 39.288 0.1 1 320 55 54 LEU CD1 C 25.426 0.1 2 321 55 54 LEU CD2 C 20.125 0.1 2 322 55 54 LEU N N 118.248 0.1 1 323 56 55 ASP H H 8.016 0.020 1 324 56 55 ASP C C 178.514 0.1 1 325 56 55 ASP CA C 57.766 0.1 1 326 56 55 ASP CB C 40.468 0.1 1 327 56 55 ASP N N 120.859 0.1 1 328 57 56 TYR H H 8.141 0.020 1 329 57 56 TYR C C 178.402 0.1 1 330 57 56 TYR CA C 61.602 0.1 1 331 57 56 TYR CB C 36.944 0.1 1 332 57 56 TYR N N 121.551 0.1 1 333 58 57 CYS H H 8.481 0.020 1 334 58 57 CYS HG H 2.841 0.020 1 335 58 57 CYS C C 176.377 0.1 1 336 58 57 CYS CA C 63.743 0.1 1 337 58 57 CYS CB C 26.494 0.1 1 338 58 57 CYS N N 117.259 0.1 1 339 59 58 ARG H H 8.718 0.020 1 340 59 58 ARG C C 178.376 0.1 1 341 59 58 ARG CA C 59.825 0.1 1 342 59 58 ARG CB C 29.111 0.1 1 343 59 58 ARG N N 119.135 0.1 1 344 60 59 HIS H H 8.009 0.020 1 345 60 59 HIS C C 177.368 0.1 1 346 60 59 HIS CA C 59.885 0.1 1 347 60 59 HIS CB C 28.354 0.1 1 348 60 59 HIS N N 117.053 0.1 1 349 61 60 HIS H H 7.957 0.020 1 350 61 60 HIS C C 176.110 0.1 1 351 61 60 HIS CA C 58.733 0.1 1 352 61 60 HIS CB C 28.610 0.1 1 353 61 60 HIS N N 115.623 0.1 1 354 62 61 HIS H H 8.232 0.020 1 355 62 61 HIS C C 176.057 0.1 1 356 62 61 HIS CA C 58.715 0.1 1 357 62 61 HIS CB C 30.196 0.1 1 358 62 61 HIS N N 119.315 0.1 1 359 63 62 GLN H H 7.493 0.020 1 360 63 62 GLN C C 175.217 0.1 1 361 63 62 GLN CA C 55.811 0.1 1 362 63 62 GLN CB C 28.445 0.1 1 363 63 62 GLN N N 115.494 0.1 1 364 64 63 HIS H H 7.600 0.020 1 365 64 63 HIS C C 171.971 0.1 1 366 64 63 HIS CA C 52.997 0.1 1 367 64 63 HIS CB C 28.351 0.1 1 368 64 63 HIS N N 117.640 0.1 1 369 65 64 PRO C C 177.091 0.1 1 370 65 64 PRO CA C 62.824 0.1 1 371 66 65 SER H H 8.434 0.020 1 372 66 65 SER CA C 55.976 0.1 1 373 66 65 SER CB C 62.611 0.1 1 374 66 65 SER N N 117.019 0.1 1 375 67 66 PRO C C 176.950 0.1 1 376 67 66 PRO CA C 62.894 0.1 1 377 68 67 GLN H H 8.440 0.020 1 378 68 67 GLN C C 176.455 0.1 1 379 68 67 GLN CA C 55.347 0.1 1 380 68 67 GLN CB C 28.828 0.1 1 381 68 67 GLN N N 120.007 0.1 1 382 69 68 GLY H H 8.331 0.020 1 383 69 68 GLY C C 173.943 0.1 1 384 69 68 GLY CA C 44.964 0.1 1 385 69 68 GLY N N 109.516 0.1 1 386 70 69 ASP H H 8.269 0.020 1 387 70 69 ASP C C 176.059 0.1 1 388 70 69 ASP CA C 54.051 0.1 1 389 70 69 ASP CB C 40.608 0.1 1 390 70 69 ASP N N 120.340 0.1 1 391 71 70 ASP H H 8.316 0.020 1 392 71 70 ASP C C 176.361 0.1 1 393 71 70 ASP CA C 54.129 0.1 1 394 71 70 ASP CB C 40.223 0.1 1 395 71 70 ASP N N 119.761 0.1 1 396 72 71 LYS H H 8.132 0.020 1 397 72 71 LYS C C 176.775 0.1 1 398 72 71 LYS CA C 55.832 0.1 1 399 72 71 LYS CB C 31.334 0.1 1 400 72 71 LYS N N 120.364 0.1 1 401 73 72 LYS H H 8.148 0.020 1 402 73 72 LYS C C 176.361 0.1 1 403 73 72 LYS CA C 56.233 0.1 1 404 73 72 LYS CB C 31.707 0.1 1 405 73 72 LYS N N 121.021 0.1 1 406 74 73 ASP H H 8.239 0.020 1 407 74 73 ASP C C 176.260 0.1 1 408 74 73 ASP CA C 53.961 0.1 1 409 74 73 ASP CB C 40.497 0.1 1 410 74 73 ASP N N 120.128 0.1 1 411 75 74 GLU H H 8.261 0.020 1 412 75 74 GLU C C 176.393 0.1 1 413 75 74 GLU CA C 56.447 0.1 1 414 75 74 GLU CB C 29.353 0.1 1 415 75 74 GLU N N 121.006 0.1 1 416 76 75 LYS H H 8.264 0.020 1 417 76 75 LYS C C 176.518 0.1 1 418 76 75 LYS CA C 55.848 0.1 1 419 76 75 LYS CB C 31.460 0.1 1 420 76 75 LYS N N 120.998 0.1 1 421 77 76 ARG H H 8.189 0.020 1 422 77 76 ARG C C 176.447 0.1 1 423 77 76 ARG CA C 55.535 0.1 1 424 77 76 ARG CB C 29.768 0.1 1 425 77 76 ARG N N 121.222 0.1 1 426 78 77 LEU H H 8.288 0.020 1 427 78 77 LEU HD1 H 0.839 0.020 2 428 78 77 LEU HD2 H 0.896 0.020 2 429 78 77 LEU C C 177.100 0.1 1 430 78 77 LEU CA C 55.217 0.1 1 431 78 77 LEU CB C 41.122 0.1 1 432 78 77 LEU CG C 26.449 0.1 1 433 78 77 LEU CD1 C 23.346 0.1 2 434 78 77 LEU CD2 C 24.817 0.1 2 435 78 77 LEU N N 122.554 0.1 1 436 79 78 ASP H H 8.162 0.020 1 437 79 78 ASP C C 175.666 0.1 1 438 79 78 ASP CA C 53.865 0.1 1 439 79 78 ASP CB C 40.472 0.1 1 440 79 78 ASP N N 118.543 0.1 1 441 80 79 ASP H H 7.964 0.020 1 442 80 79 ASP C C 175.682 0.1 1 443 80 79 ASP CA C 53.829 0.1 1 444 80 79 ASP CB C 40.692 0.1 1 445 80 79 ASP N N 119.503 0.1 1 446 81 80 ILE H H 7.937 0.020 1 447 81 80 ILE HD1 H 0.773 0.020 1 448 81 80 ILE C C 173.970 0.1 1 449 81 80 ILE CA C 58.544 0.1 1 450 81 80 ILE CB C 38.248 0.1 1 451 81 80 ILE CD1 C 12.777 0.1 1 452 81 80 ILE N N 121.876 0.1 1 453 83 82 PRO C C 178.031 0.1 1 454 84 83 TYR H H 8.370 0.020 1 455 84 83 TYR C C 177.233 0.1 1 456 84 83 TYR CA C 60.915 0.1 1 457 84 83 TYR N N 117.059 0.1 1 458 85 84 ASP H H 7.504 0.020 1 459 85 84 ASP C C 177.495 0.1 1 460 85 84 ASP CA C 56.280 0.1 1 461 85 84 ASP CB C 40.200 0.1 1 462 85 84 ASP N N 119.437 0.1 1 463 86 85 ARG H H 7.992 0.020 1 464 86 85 ARG C C 178.772 0.1 1 465 86 85 ARG CA C 58.376 0.1 1 466 86 85 ARG CB C 29.008 0.1 1 467 86 85 ARG N N 119.523 0.1 1 468 87 86 ASP H H 7.821 0.020 1 469 87 86 ASP C C 178.708 0.1 1 470 87 86 ASP CA C 56.239 0.1 1 471 87 86 ASP CB C 39.441 0.1 1 472 87 86 ASP N N 118.619 0.1 1 473 88 87 PHE H H 8.418 0.020 1 474 88 87 PHE C C 175.951 0.1 1 475 88 87 PHE CA C 60.698 0.1 1 476 88 87 PHE CB C 38.624 0.1 1 477 88 87 PHE N N 122.457 0.1 1 478 89 88 CYS H H 7.316 0.020 1 479 89 88 CYS C C 173.984 0.1 1 480 89 88 CYS CA C 60.053 0.1 1 481 89 88 CYS CB C 27.258 0.1 1 482 89 88 CYS N N 110.133 0.1 1 483 90 89 LYS H H 7.288 0.020 1 484 90 89 LYS C C 175.137 0.1 1 485 90 89 LYS CA C 55.340 0.1 1 486 90 89 LYS CB C 29.196 0.1 1 487 90 89 LYS N N 122.973 0.1 1 488 91 90 VAL H H 7.301 0.020 1 489 91 90 VAL HG1 H 0.610 0.020 2 490 91 90 VAL HG2 H 0.701 0.020 2 491 91 90 VAL C C 174.477 0.1 1 492 91 90 VAL CA C 58.636 0.1 1 493 91 90 VAL CB C 34.141 0.1 1 494 91 90 VAL CG1 C 18.423 0.1 2 495 91 90 VAL CG2 C 21.636 0.1 2 496 91 90 VAL N N 115.610 0.1 1 497 92 91 ASP H H 8.067 0.020 1 498 92 91 ASP C C 175.312 0.1 1 499 92 91 ASP CA C 53.163 0.1 1 500 92 91 ASP CB C 40.470 0.1 1 501 92 91 ASP N N 118.579 0.1 1 502 93 92 GLN H H 8.708 0.020 1 503 93 92 GLN C C 175.308 0.1 1 504 93 92 GLN CA C 60.672 0.1 1 505 93 92 GLN N N 117.437 0.1 1 506 94 93 PRO C C 178.982 0.1 1 507 94 93 PRO CA C 66.257 0.1 1 508 94 93 PRO CB C 29.805 0.1 1 509 95 94 THR H H 7.548 0.020 1 510 95 94 THR C C 175.676 0.1 1 511 95 94 THR CA C 66.356 0.1 1 512 95 94 THR N N 113.754 0.1 1 513 96 95 LEU H H 8.197 0.020 1 514 96 95 LEU C C 178.533 0.1 1 515 96 95 LEU CA C 58.126 0.1 1 516 96 95 LEU CB C 40.156 0.1 1 517 96 95 LEU N N 122.959 0.1 1 518 97 96 PHE H H 7.911 0.020 1 519 97 96 PHE C C 178.193 0.1 1 520 97 96 PHE CA C 61.503 0.1 1 521 97 96 PHE N N 114.479 0.1 1 522 98 97 GLU H H 8.043 0.020 1 523 98 97 GLU C C 180.731 0.1 1 524 98 97 GLU CA C 59.257 0.1 1 525 98 97 GLU CB C 28.129 0.1 1 526 98 97 GLU N N 117.517 0.1 1 527 99 98 LEU H H 8.660 0.020 1 528 99 98 LEU HD1 H 0.716 0.020 2 529 99 98 LEU HD2 H 0.855 0.020 2 530 99 98 LEU C C 178.269 0.1 1 531 99 98 LEU CA C 57.965 0.1 1 532 99 98 LEU CB C 41.731 0.1 1 533 99 98 LEU CD1 C 25.799 0.1 2 534 99 98 LEU CD2 C 23.939 0.1 2 535 99 98 LEU N N 122.388 0.1 1 536 100 99 ILE H H 7.934 0.020 1 537 100 99 ILE C C 178.054 0.1 1 538 100 99 ILE CA C 65.853 0.1 1 539 100 99 ILE CB C 37.075 0.1 1 540 100 99 ILE N N 121.108 0.1 1 541 101 100 LEU H H 7.837 0.020 1 542 101 100 LEU C C 180.817 0.1 1 543 101 100 LEU CA C 57.545 0.1 1 544 101 100 LEU CB C 40.082 0.1 1 545 101 100 LEU N N 116.662 0.1 1 546 102 101 ALA H H 8.439 0.020 1 547 102 101 ALA C C 179.312 0.1 1 548 102 101 ALA CA C 54.502 0.1 1 549 102 101 ALA CB C 18.094 0.1 1 550 102 101 ALA N N 121.628 0.1 1 551 103 102 ALA H H 8.949 0.020 1 552 103 102 ALA C C 179.255 0.1 1 553 103 102 ALA CA C 55.104 0.1 1 554 103 102 ALA CB C 16.786 0.1 1 555 103 102 ALA N N 120.910 0.1 1 556 104 103 ASN H H 8.246 0.020 1 557 104 103 ASN C C 177.401 0.1 1 558 104 103 ASN CA C 55.926 0.1 1 559 104 103 ASN CB C 39.696 0.1 1 560 104 103 ASN N N 115.040 0.1 1 561 105 104 TYR H H 8.405 0.020 1 562 105 104 TYR C C 178.087 0.1 1 563 105 104 TYR CA C 59.411 0.1 1 564 105 104 TYR CB C 37.725 0.1 1 565 105 104 TYR N N 120.990 0.1 1 566 106 105 LEU H H 8.938 0.020 1 567 106 105 LEU HD1 H 0.791 0.020 2 568 106 105 LEU HD2 H 0.605 0.020 2 569 106 105 LEU C C 176.466 0.1 1 570 106 105 LEU CA C 54.111 0.1 1 571 106 105 LEU CB C 40.477 0.1 1 572 106 105 LEU CD1 C 26.037 0.1 2 573 106 105 LEU CD2 C 22.225 0.1 2 574 106 105 LEU N N 114.496 0.1 1 575 107 106 ASP H H 7.790 0.020 1 576 107 106 ASP C C 174.024 0.1 1 577 107 106 ASP CA C 54.515 0.1 1 578 107 106 ASP CB C 38.504 0.1 1 579 107 106 ASP N N 125.439 0.1 1 580 108 107 ILE H H 7.932 0.020 1 581 108 107 ILE HD1 H 0.666 0.020 1 582 108 107 ILE C C 175.769 0.1 1 583 108 107 ILE CA C 58.902 0.1 1 584 108 107 ILE CB C 37.283 0.1 1 585 108 107 ILE CD1 C 16.032 0.1 1 586 108 107 ILE N N 120.945 0.1 1 587 109 108 LYS H H 9.157 0.020 1 588 109 108 LYS C C 175.724 0.1 1 589 109 108 LYS CA C 61.013 0.1 1 590 109 108 LYS CB C 28.843 0.1 1 591 109 108 LYS N N 127.712 0.1 1 592 110 109 PRO C C 178.645 0.1 1 593 110 109 PRO CA C 65.587 0.1 1 594 110 109 PRO CB C 29.306 0.1 1 595 111 110 LEU H H 6.388 0.020 1 596 111 110 LEU HD1 H 0.114 0.020 2 597 111 110 LEU HD2 H 0.622 0.020 2 598 111 110 LEU C C 178.716 0.1 1 599 111 110 LEU CA C 55.418 0.1 1 600 111 110 LEU CB C 39.888 0.1 1 601 111 110 LEU CG C 25.884 0.1 1 602 111 110 LEU CD1 C 22.189 0.1 2 603 111 110 LEU CD2 C 26.351 0.1 2 604 111 110 LEU N N 115.612 0.1 1 605 112 111 LEU H H 7.827 0.020 1 606 112 111 LEU HD1 H 0.901 0.020 2 607 112 111 LEU HD2 H 0.901 0.020 2 608 112 111 LEU C C 177.583 0.1 1 609 112 111 LEU CA C 57.512 0.1 1 610 112 111 LEU CB C 40.868 0.1 1 611 112 111 LEU CD1 C 25.215 0.1 2 612 112 111 LEU CD2 C 25.215 0.1 2 613 112 111 LEU N N 123.755 0.1 1 614 113 112 ASP H H 8.213 0.020 1 615 113 112 ASP C C 178.792 0.1 1 616 113 112 ASP CA C 57.442 0.1 1 617 113 112 ASP CB C 40.502 0.1 1 618 113 112 ASP N N 116.327 0.1 1 619 114 113 VAL H H 7.687 0.020 1 620 114 113 VAL HG1 H 1.105 0.020 2 621 114 113 VAL HG2 H 1.140 0.020 2 622 114 113 VAL C C 178.736 0.1 1 623 114 113 VAL CA C 65.377 0.1 1 624 114 113 VAL CB C 30.928 0.1 1 625 114 113 VAL CG1 C 20.687 0.1 2 626 114 113 VAL CG2 C 22.087 0.1 2 627 114 113 VAL N N 114.872 0.1 1 628 115 114 THR H H 7.899 0.020 1 629 115 114 THR HG1 H 4.031 0.020 1 630 115 114 THR C C 177.664 0.1 1 631 115 114 THR CA C 65.456 0.1 1 632 115 114 THR CB C 66.875 0.1 1 633 115 114 THR N N 115.959 0.1 1 634 116 115 CYS H H 8.252 0.020 1 635 116 115 CYS C C 177.249 0.1 1 636 116 115 CYS CA C 64.773 0.1 1 637 116 115 CYS CB C 26.404 0.1 1 638 116 115 CYS N N 119.831 0.1 1 639 117 116 LYS H H 8.333 0.020 1 640 117 116 LYS C C 178.697 0.1 1 641 117 116 LYS CA C 59.409 0.1 1 642 117 116 LYS CB C 31.446 0.1 1 643 117 116 LYS N N 119.455 0.1 1 644 118 117 THR H H 7.696 0.020 1 645 118 117 THR C C 176.841 0.1 1 646 118 117 THR CA C 67.162 0.1 1 647 118 117 THR N N 116.061 0.1 1 648 119 118 VAL H H 7.667 0.020 1 649 119 118 VAL C C 177.447 0.1 1 650 119 118 VAL CA C 66.352 0.1 1 651 119 118 VAL CB C 30.773 0.1 1 652 119 118 VAL N N 121.410 0.1 1 653 120 119 ALA H H 8.480 0.020 1 654 120 119 ALA C C 179.888 0.1 1 655 120 119 ALA CA C 54.938 0.1 1 656 120 119 ALA CB C 17.205 0.1 1 657 120 119 ALA N N 121.152 0.1 1 658 121 120 ASN H H 8.004 0.020 1 659 121 120 ASN C C 177.350 0.1 1 660 121 120 ASN CA C 54.909 0.1 1 661 121 120 ASN CB C 37.653 0.1 1 662 121 120 ASN N N 114.000 0.1 1 663 122 121 MET H H 7.838 0.020 1 664 122 121 MET C C 177.478 0.1 1 665 122 121 MET CA C 57.989 0.1 1 666 122 121 MET CB C 32.878 0.1 1 667 122 121 MET N N 118.574 0.1 1 668 125 124 GLY C C 174.301 0.1 1 669 125 124 GLY CA C 45.344 0.1 1 670 126 125 LYS H H 7.484 0.020 1 671 126 125 LYS C C 176.937 0.1 1 672 126 125 LYS CA C 53.852 0.1 1 673 126 125 LYS CB C 32.632 0.1 1 674 126 125 LYS N N 118.532 0.1 1 675 127 126 THR H H 9.029 0.020 1 676 127 126 THR CA C 59.731 0.1 1 677 127 126 THR CB C 67.841 0.1 1 678 127 126 THR N N 113.388 0.1 1 679 139 138 ASN C C 174.371 0.1 1 680 139 138 ASN CA C 52.653 0.1 1 681 139 138 ASN CB C 38.424 0.1 1 682 140 139 ASP H H 8.106 0.020 1 683 140 139 ASP C C 175.528 0.1 1 684 140 139 ASP CA C 53.687 0.1 1 685 140 139 ASP CB C 40.603 0.1 1 686 140 139 ASP N N 119.998 0.1 1 687 141 140 PHE H H 8.095 0.020 1 688 141 140 PHE C C 175.992 0.1 1 689 141 140 PHE CA C 56.764 0.1 1 690 141 140 PHE CB C 39.032 0.1 1 691 141 140 PHE N N 119.274 0.1 1 692 142 141 THR H H 8.410 0.020 1 693 142 141 THR C C 173.630 0.1 1 694 142 141 THR CA C 59.864 0.1 1 695 142 141 THR CB C 68.701 0.1 1 696 142 141 THR N N 115.656 0.1 1 697 143 142 PRO C C 177.292 0.1 1 698 143 142 PRO CA C 62.858 0.1 1 699 143 142 PRO CB C 37.555 0.1 1 700 144 143 GLU H H 8.680 0.020 1 701 144 143 GLU C C 177.817 0.1 1 702 144 143 GLU CA C 57.853 0.1 1 703 144 143 GLU CB C 28.754 0.1 1 704 144 143 GLU N N 119.529 0.1 1 705 145 144 GLU H H 8.103 0.020 1 706 145 144 GLU C C 177.646 0.1 1 707 145 144 GLU CA C 57.181 0.1 1 708 145 144 GLU CB C 29.389 0.1 1 709 145 144 GLU N N 120.782 0.1 1 710 146 145 GLU H H 8.292 0.020 1 711 146 145 GLU C C 177.558 0.1 1 712 146 145 GLU CA C 57.563 0.1 1 713 146 145 GLU CB C 29.266 0.1 1 714 146 145 GLU N N 120.141 0.1 1 715 147 146 GLU H H 8.137 0.020 1 716 147 146 GLU C C 177.232 0.1 1 717 147 146 GLU CA C 57.247 0.1 1 718 147 146 GLU CB C 28.939 0.1 1 719 147 146 GLU N N 119.951 0.1 1 720 148 147 GLN H H 7.982 0.020 1 721 148 147 GLN C C 176.902 0.1 1 722 148 147 GLN CA C 56.474 0.1 1 723 148 147 GLN CB C 27.955 0.1 1 724 148 147 GLN N N 119.519 0.1 1 725 149 148 ILE H H 7.918 0.020 1 726 149 148 ILE HD1 H 0.682 0.020 1 727 149 148 ILE C C 176.997 0.1 1 728 149 148 ILE CA C 61.899 0.1 1 729 149 148 ILE CB C 37.386 0.1 1 730 149 148 ILE CG1 C 26.745 0.1 1 731 149 148 ILE CD1 C 12.673 0.1 1 732 149 148 ILE N N 120.349 0.1 1 733 150 149 ARG H H 8.075 0.020 1 734 150 149 ARG C C 177.065 0.1 1 735 150 149 ARG CA C 56.636 0.1 1 736 150 149 ARG CB C 29.453 0.1 1 737 150 149 ARG N N 122.767 0.1 1 738 151 150 LYS H H 8.147 0.020 1 739 151 150 LYS C C 177.343 0.1 1 740 151 150 LYS CA C 56.521 0.1 1 741 151 150 LYS CB C 31.737 0.1 1 742 151 150 LYS N N 121.215 0.1 1 743 152 151 GLU H H 8.242 0.020 1 744 152 151 GLU C C 176.729 0.1 1 745 152 151 GLU CA C 56.810 0.1 1 746 152 151 GLU CB C 29.071 0.1 1 747 152 151 GLU N N 120.153 0.1 1 748 153 152 ASN H H 8.166 0.020 1 749 153 152 ASN C C 175.263 0.1 1 750 153 152 ASN CA C 53.224 0.1 1 751 153 152 ASN CB C 38.397 0.1 1 752 153 152 ASN N N 117.405 0.1 1 753 154 153 GLU H H 8.100 0.020 1 754 154 153 GLU C C 176.194 0.1 1 755 154 153 GLU CA C 56.581 0.1 1 756 154 153 GLU CB C 29.233 0.1 1 757 154 153 GLU N N 120.139 0.1 1 758 155 154 TRP H H 8.071 0.020 1 759 155 154 TRP HE1 H 10.093 0.020 1 760 155 154 TRP C C 175.927 0.1 1 761 155 154 TRP CA C 56.987 0.1 1 762 155 154 TRP CB C 28.704 0.1 1 763 155 154 TRP N N 121.012 0.1 1 764 155 154 TRP NE1 N 129.039 0.1 1 765 156 155 CYS H H 7.809 0.020 1 766 156 155 CYS C C 173.905 0.1 1 767 156 155 CYS CA C 57.613 0.1 1 768 156 155 CYS CB C 27.657 0.1 1 769 156 155 CYS N N 120.800 0.1 1 770 157 156 GLU H H 8.197 0.020 1 771 157 156 GLU C C 176.002 0.1 1 772 157 156 GLU CA C 56.345 0.1 1 773 157 156 GLU CB C 29.459 0.1 1 774 157 156 GLU N N 122.937 0.1 1 775 158 157 ASP H H 8.261 0.020 1 776 158 157 ASP C C 176.290 0.1 1 777 158 157 ASP CA C 53.958 0.1 1 778 158 157 ASP CB C 40.466 0.1 1 779 158 157 ASP N N 121.075 0.1 1 780 159 158 LYS H H 8.217 0.020 1 781 159 158 LYS C C 177.295 0.1 1 782 159 158 LYS CA C 55.805 0.1 1 783 159 158 LYS CB C 31.684 0.1 1 784 159 158 LYS N N 121.854 0.1 1 785 160 159 GLY H H 8.353 0.020 1 786 160 159 GLY C C 174.557 0.1 1 787 160 159 GLY CA C 45.013 0.1 1 788 160 159 GLY N N 108.940 0.1 1 789 161 160 GLY H H 8.171 0.020 1 790 161 160 GLY C C 173.218 0.1 1 791 161 160 GLY CA C 44.782 0.1 1 792 161 160 GLY N N 108.542 0.1 1 793 162 161 ASN H H 7.897 0.020 1 794 162 161 ASN C C 179.534 0.1 1 795 162 161 ASN CA C 54.317 0.1 1 796 162 161 ASN CB C 39.778 0.1 1 797 162 161 ASN N N 123.433 0.1 1 stop_ save_