data_26968 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignments of Dictyostelium Skp1 ; _BMRB_accession_number 26968 _BMRB_flat_file_name bmr26968.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 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' M . 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" 186 "13C chemical shifts" 482 "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 26967 'Dictyostelium GlcNAc-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 Skp1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Skp1 $Skp1 stop_ _System_molecular_weight 18575 _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 . save_ ######################## # Monomeric polymers # ######################## save_Skp1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Skp1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Part of Skp1/Cullin-1/F-box protein (SCF) complex involved in ubiquitin degradation pathway' stop_ _Details 'With the first methionine cleaved.' ############################## # 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 $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 $Skp1 'recombinant technology' . Escherichia coli . pET19b-Skp1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_ILV_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 $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' DSS 50 uM 'natural abundance' 'sodium azide' 0.05% w/w 'natural abundance' 'magnesium chloride' 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' D2O 10 % '[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_Skp1 save_ save_2D_1H-15N_HSQC(TROSY)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC(TROSY)' _Sample_label $ILV_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_Skp1 save_ save_3D_TROSY-HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $ILV_Skp1 save_ save_3D_TROSY-HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _Sample_label $ILV_Skp1 save_ save_3D_TROSY-HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(COCA)CB' _Sample_label $ILV_Skp1 save_ save_3D_TROSY-HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $ILV_Skp1 save_ save_3D_HMCM(CG)CBCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HMCM(CG)CBCA' _Sample_label $ILV_Skp1 save_ save_3D_HMCMCBCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HMCMCBCA' _Sample_label $ILV_Skp1 save_ save_3D_15N/13Cali/13Caro-resolved_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N/13Cali/13Caro-resolved 1H-1H NOESY' _Sample_label $ILV_Skp1 save_ save_3D_TROSY-HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $ILV_Skp1 save_ save_3D_TROSY-HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label $ILV_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-HN(CO)CA' '3D TROSY-HN(COCA)CB' '3D TROSY-HNCACB' '3D HMCM(CG)CBCA' '3D HMCMCBCA' '3D 15N/13Cali/13Caro-resolved 1H-1H NOESY' '3D TROSY-HNCO' '3D TROSY-HN(CA)CO' stop_ loop_ _Sample_label $ILV_Skp1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 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 0.687 0.020 2 2 3 2 LEU HD2 H 0.793 0.020 2 3 3 2 LEU C C 176.917 0.1 1 4 3 2 LEU CA C 54.240 0.1 1 5 3 2 LEU CB C 42.519 0.1 1 6 3 2 LEU CG C 26.179 0.1 1 7 3 2 LEU CD1 C 22.967 0.1 2 8 3 2 LEU CD2 C 25.185 0.1 2 9 4 3 VAL H H 9.062 0.020 1 10 4 3 VAL HG1 H 0.809 0.020 2 11 4 3 VAL HG2 H 0.794 0.020 2 12 4 3 VAL C C 173.487 0.1 1 13 4 3 VAL CA C 59.836 0.1 1 14 4 3 VAL CB C 33.829 0.1 1 15 4 3 VAL CG1 C 21.017 0.1 2 16 4 3 VAL CG2 C 20.315 0.1 2 17 4 3 VAL N N 119.672 0.1 1 18 5 4 LYS H H 8.389 0.020 1 19 5 4 LYS C C 175.166 0.1 1 20 5 4 LYS CA C 54.304 0.1 1 21 5 4 LYS CB C 33.778 0.1 1 22 5 4 LYS N N 121.624 0.1 1 23 6 5 LEU H H 9.123 0.020 1 24 6 5 LEU HD1 H 0.816 0.020 2 25 6 5 LEU HD2 H 0.847 0.020 2 26 6 5 LEU C C 174.931 0.1 1 27 6 5 LEU CA C 52.321 0.1 1 28 6 5 LEU CB C 44.145 0.1 1 29 6 5 LEU CD1 C 26.649 0.1 2 30 6 5 LEU CD2 C 23.429 0.1 2 31 6 5 LEU N N 122.131 0.1 1 32 7 6 GLU H H 8.871 0.020 1 33 7 6 GLU C C 175.158 0.1 1 34 7 6 GLU CA C 53.546 0.1 1 35 7 6 GLU CB C 32.565 0.1 1 36 7 6 GLU N N 123.776 0.1 1 37 8 7 SER H H 9.035 0.020 1 38 8 7 SER HG H 5.554 0.020 1 39 8 7 SER C C 176.836 0.1 1 40 8 7 SER CA C 58.192 0.1 1 41 8 7 SER CB C 64.517 0.1 1 42 8 7 SER N N 119.590 0.1 1 43 9 8 SER H H 9.361 0.020 1 44 9 8 SER C C 174.959 0.1 1 45 9 8 SER CA C 61.190 0.1 1 46 9 8 SER CB C 62.258 0.1 1 47 9 8 SER N N 118.179 0.1 1 48 10 9 ASP H H 9.220 0.020 1 49 10 9 ASP C C 174.267 0.1 1 50 10 9 ASP CA C 52.191 0.1 1 51 10 9 ASP CB C 36.623 0.1 1 52 10 9 ASP N N 116.488 0.1 1 53 11 10 GLU H H 8.011 0.020 1 54 11 10 GLU C C 174.945 0.1 1 55 11 10 GLU CA C 57.429 0.1 1 56 11 10 GLU CB C 25.430 0.1 1 57 11 10 GLU N N 112.335 0.1 1 58 12 11 LYS H H 7.211 0.020 1 59 12 11 LYS C C 174.807 0.1 1 60 12 11 LYS CA C 54.542 0.1 1 61 12 11 LYS CB C 32.210 0.1 1 62 12 11 LYS N N 118.528 0.1 1 63 13 12 VAL H H 8.103 0.020 1 64 13 12 VAL HG1 H 0.833 0.020 2 65 13 12 VAL HG2 H 0.773 0.020 2 66 13 12 VAL C C 175.827 0.1 1 67 13 12 VAL CA C 60.984 0.1 1 68 13 12 VAL CB C 32.365 0.1 1 69 13 12 VAL CG1 C 21.882 0.1 2 70 13 12 VAL CG2 C 21.484 0.1 2 71 13 12 VAL N N 122.120 0.1 1 72 14 13 PHE H H 9.489 0.020 1 73 14 13 PHE C C 174.262 0.1 1 74 14 13 PHE CA C 56.182 0.1 1 75 14 13 PHE CB C 41.103 0.1 1 76 14 13 PHE N N 127.343 0.1 1 77 15 14 GLU H H 8.625 0.020 1 78 15 14 GLU C C 175.472 0.1 1 79 15 14 GLU CA C 54.481 0.1 1 80 15 14 GLU CB C 30.959 0.1 1 81 15 14 GLU N N 121.956 0.1 1 82 16 15 ILE H H 9.009 0.020 1 83 16 15 ILE HD1 H 0.929 0.020 1 84 16 15 ILE C C 172.479 0.1 1 85 16 15 ILE CA C 57.901 0.1 1 86 16 15 ILE CB C 41.790 0.1 1 87 16 15 ILE CG1 C 27.349 0.1 1 88 16 15 ILE CD1 C 14.966 0.1 1 89 16 15 ILE N N 122.746 0.1 1 90 17 16 GLU H H 9.164 0.020 1 91 17 16 GLU C C 178.305 0.1 1 92 17 16 GLU CA C 57.998 0.1 1 93 17 16 GLU CB C 28.294 0.1 1 94 17 16 GLU N N 126.276 0.1 1 95 18 17 LYS H H 8.911 0.020 1 96 18 17 LYS C C 177.707 0.1 1 97 18 17 LYS CA C 60.413 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 9.457 0.020 1 101 19 18 GLU C C 177.825 0.1 1 102 19 18 GLU CA C 59.156 0.1 1 103 19 18 GLU CB C 28.207 0.1 1 104 19 18 GLU N N 115.161 0.1 1 105 20 19 ILE H H 6.758 0.020 1 106 20 19 ILE HD1 H 0.717 0.020 1 107 20 19 ILE C C 177.255 0.1 1 108 20 19 ILE CA C 63.367 0.1 1 109 20 19 ILE CB C 36.276 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 12.739 0.1 1 113 20 19 ILE N N 116.014 0.1 1 114 21 20 ALA H H 7.606 0.020 1 115 21 20 ALA C C 178.442 0.1 1 116 21 20 ALA CA C 54.483 0.1 1 117 21 20 ALA CB C 17.243 0.1 1 118 21 20 ALA N N 120.192 0.1 1 119 22 21 CYS H H 7.737 0.020 1 120 22 21 CYS C C 173.776 0.1 1 121 22 21 CYS CA C 62.048 0.1 1 122 22 21 CYS CB C 26.294 0.1 1 123 22 21 CYS N N 107.269 0.1 1 124 23 22 MET H H 7.565 0.020 1 125 23 22 MET C C 177.250 0.1 1 126 23 22 MET CA C 58.313 0.1 1 127 23 22 MET CB C 31.999 0.1 1 128 23 22 MET N N 118.774 0.1 1 129 24 23 SER H H 7.490 0.020 1 130 24 23 SER HG H 6.977 0.020 1 131 24 23 SER C C 174.341 0.1 1 132 24 23 SER CA C 55.194 0.1 1 133 24 23 SER CB C 61.948 0.1 1 134 24 23 SER N N 109.838 0.1 1 135 25 24 VAL H H 7.990 0.020 1 136 25 24 VAL HG1 H 0.986 0.020 2 137 25 24 VAL HG2 H 1.141 0.020 2 138 25 24 VAL C C 177.393 0.1 1 139 25 24 VAL CA C 66.041 0.1 1 140 25 24 VAL CB C 31.135 0.1 1 141 25 24 VAL CG1 C 21.624 0.1 2 142 25 24 VAL CG2 C 23.055 0.1 2 143 25 24 VAL N N 131.143 0.1 1 144 26 25 THR H H 7.220 0.020 1 145 26 25 THR C C 176.123 0.1 1 146 26 25 THR CA C 65.230 0.1 1 147 26 25 THR CB C 69.014 0.1 1 148 26 25 THR N N 114.018 0.1 1 149 27 26 ILE H H 8.193 0.020 1 150 27 26 ILE HD1 H 0.854 0.020 1 151 27 26 ILE C C 176.939 0.1 1 152 27 26 ILE CA C 65.225 0.1 1 153 27 26 ILE CB C 35.950 0.1 1 154 27 26 ILE CD1 C 12.422 0.1 1 155 27 26 ILE N N 121.593 0.1 1 156 28 27 LYS H H 8.565 0.020 1 157 28 27 LYS C C 178.860 0.1 1 158 28 27 LYS CA C 60.041 0.1 1 159 28 27 LYS CB C 31.521 0.1 1 160 28 27 LYS N N 120.900 0.1 1 161 29 28 ASN H H 8.329 0.020 1 162 29 28 ASN HD21 H 6.786 0.020 2 163 29 28 ASN HD22 H 7.582 0.020 2 164 29 28 ASN C C 177.990 0.1 1 165 29 28 ASN CA C 55.182 0.1 1 166 29 28 ASN CB C 37.023 0.1 1 167 29 28 ASN N N 115.482 0.1 1 168 29 28 ASN ND2 N 111.227 0.1 1 169 30 29 MET H H 7.910 0.020 1 170 30 29 MET C C 178.598 0.1 1 171 30 29 MET CA C 59.119 0.1 1 172 30 29 MET CB C 32.439 0.1 1 173 30 29 MET N N 120.116 0.1 1 174 31 30 ILE H H 8.523 0.020 1 175 31 30 ILE HD1 H 0.693 0.020 1 176 31 30 ILE C C 178.786 0.1 1 177 31 30 ILE CA C 64.486 0.1 1 178 31 30 ILE CB C 37.045 0.1 1 179 31 30 ILE CG1 C 28.161 0.1 1 180 31 30 ILE CD1 C 15.058 0.1 1 181 31 30 ILE N N 118.365 0.1 1 182 32 31 GLU H H 7.796 0.020 1 183 32 31 GLU C C 177.962 0.1 1 184 32 31 GLU CA C 58.443 0.1 1 185 32 31 GLU CB C 28.456 0.1 1 186 32 31 GLU N N 119.276 0.1 1 187 33 32 ASP H H 7.722 0.020 1 188 33 32 ASP C C 177.621 0.1 1 189 33 32 ASP CA C 55.868 0.1 1 190 33 32 ASP CB C 41.119 0.1 1 191 33 32 ASP N N 117.533 0.1 1 192 34 33 ILE H H 8.023 0.020 1 193 34 33 ILE HD1 H 0.863 0.020 1 194 34 33 ILE C C 177.583 0.1 1 195 34 33 ILE CA C 62.341 0.1 1 196 34 33 ILE CB C 38.414 0.1 1 197 34 33 ILE CD1 C 13.737 0.1 1 198 34 33 ILE N N 116.820 0.1 1 199 35 34 GLY H H 7.953 0.020 1 200 35 34 GLY C C 173.772 0.1 1 201 35 34 GLY CA C 44.755 0.1 1 202 35 34 GLY N N 109.132 0.1 1 203 36 35 GLU H H 8.281 0.020 1 204 36 35 GLU C C 176.315 0.1 1 205 36 35 GLU CA C 56.034 0.1 1 206 36 35 GLU CB C 28.838 0.1 1 207 36 35 GLU N N 121.021 0.1 1 208 37 36 SER H H 8.186 0.020 1 209 37 36 SER C C 174.161 0.1 1 210 37 36 SER CA C 57.359 0.1 1 211 37 36 SER CB C 63.863 0.1 1 212 37 36 SER N N 117.284 0.1 1 213 38 37 ASP H H 8.542 0.020 1 214 38 37 ASP C C 176.225 0.1 1 215 38 37 ASP CA C 53.824 0.1 1 216 38 37 ASP CB C 40.456 0.1 1 217 38 37 ASP N N 122.878 0.1 1 218 39 38 SER H H 8.055 0.020 1 219 39 38 SER C C 172.216 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 116.144 0.1 1 223 40 39 PRO C C 176.106 0.1 1 224 40 39 PRO CA C 61.870 0.1 1 225 40 39 PRO CB C 31.740 0.1 1 226 41 40 ILE H H 8.886 0.020 1 227 41 40 ILE HD1 H 0.767 0.020 1 228 41 40 ILE C C 173.830 0.1 1 229 41 40 ILE CA C 58.345 0.1 1 230 41 40 ILE CB C 38.072 0.1 1 231 41 40 ILE CD1 C 13.200 0.1 1 232 41 40 ILE N N 126.137 0.1 1 233 42 41 PRO C C 176.330 0.1 1 234 42 41 PRO CA C 62.355 0.1 1 235 42 41 PRO CB C 31.354 0.1 1 236 43 42 LEU H H 8.631 0.020 1 237 43 42 LEU HD1 H 0.834 0.020 2 238 43 42 LEU HD2 H 0.767 0.020 2 239 43 42 LEU C C 174.424 0.1 1 240 43 42 LEU CA C 50.527 0.1 1 241 43 42 LEU CB C 41.715 0.1 1 242 43 42 LEU CG C 25.100 0.1 1 243 43 42 LEU CD1 C 28.304 0.1 2 244 43 42 LEU CD2 C 23.243 0.1 2 245 43 42 LEU N N 121.793 0.1 1 246 44 43 PRO C C 176.729 0.1 1 247 44 43 PRO CA C 63.664 0.1 1 248 44 43 PRO CB C 31.050 0.1 1 249 45 44 ASN H H 6.821 0.020 1 250 45 44 ASN C C 173.992 0.1 1 251 45 44 ASN CA C 51.960 0.1 1 252 45 44 ASN CB C 37.030 0.1 1 253 45 44 ASN N N 111.454 0.1 1 254 46 45 VAL H H 7.582 0.020 1 255 46 45 VAL HG1 H 1.068 0.020 2 256 46 45 VAL HG2 H 1.043 0.020 2 257 46 45 VAL C C 173.486 0.1 1 258 46 45 VAL CA C 59.930 0.1 1 259 46 45 VAL CB C 34.261 0.1 1 260 46 45 VAL CG1 C 22.257 0.1 2 261 46 45 VAL CG2 C 21.574 0.1 2 262 46 45 VAL N N 116.893 0.1 1 263 47 46 THR H H 8.275 0.020 1 264 47 46 THR C C 176.425 0.1 1 265 47 46 THR CA C 60.975 0.1 1 266 47 46 THR CB C 70.692 0.1 1 267 47 46 THR N N 117.400 0.1 1 268 48 47 SER H H 9.814 0.020 1 269 48 47 SER C C 176.544 0.1 1 270 48 47 SER CA C 61.706 0.1 1 271 48 47 SER CB C 60.496 0.1 1 272 48 47 SER N N 117.772 0.1 1 273 49 48 THR H H 7.776 0.020 1 274 49 48 THR C C 176.406 0.1 1 275 49 48 THR CA C 65.197 0.1 1 276 49 48 THR CB C 68.139 0.1 1 277 49 48 THR N N 115.208 0.1 1 278 50 49 ILE H H 6.912 0.020 1 279 50 49 ILE HD1 H 0.655 0.020 1 280 50 49 ILE C C 177.612 0.1 1 281 50 49 ILE CA C 59.823 0.1 1 282 50 49 ILE CB C 34.236 0.1 1 283 50 49 ILE CG1 C 25.550 0.1 1 284 50 49 ILE CD1 C 8.679 0.1 1 285 50 49 ILE N N 119.912 0.1 1 286 51 50 LEU H H 9.065 0.020 1 287 51 50 LEU HD1 H 0.615 0.020 2 288 51 50 LEU HD2 H 0.478 0.020 2 289 51 50 LEU C C 177.535 0.1 1 290 51 50 LEU CA C 57.191 0.1 1 291 51 50 LEU CB C 39.989 0.1 1 292 51 50 LEU CD1 C 21.480 0.1 2 293 51 50 LEU CD2 C 26.112 0.1 2 294 51 50 LEU N N 122.053 0.1 1 295 52 51 GLU H H 8.434 0.020 1 296 52 51 GLU C C 178.518 0.1 1 297 52 51 GLU CA C 59.559 0.1 1 298 52 51 GLU CB C 29.011 0.1 1 299 52 51 GLU N N 116.627 0.1 1 300 53 52 LYS H H 6.843 0.020 1 301 53 52 LYS C C 178.854 0.1 1 302 53 52 LYS CA C 58.589 0.1 1 303 53 52 LYS CB C 31.816 0.1 1 304 53 52 LYS N N 117.155 0.1 1 305 54 53 VAL H H 8.453 0.020 1 306 54 53 VAL HG1 H 0.699 0.020 2 307 54 53 VAL HG2 H 0.870 0.020 2 308 54 53 VAL C C 178.385 0.1 1 309 54 53 VAL CA C 66.581 0.1 1 310 54 53 VAL CB C 31.056 0.1 1 311 54 53 VAL CG1 C 21.580 0.1 2 312 54 53 VAL CG2 C 22.705 0.1 2 313 54 53 VAL N N 118.703 0.1 1 314 55 54 LEU H H 8.831 0.020 1 315 55 54 LEU HD1 H 0.533 0.020 2 316 55 54 LEU HD2 H 0.585 0.020 2 317 55 54 LEU C C 178.984 0.1 1 318 55 54 LEU CA C 57.705 0.1 1 319 55 54 LEU CB C 39.283 0.1 1 320 55 54 LEU CD1 C 25.411 0.1 2 321 55 54 LEU CD2 C 20.115 0.1 2 322 55 54 LEU N N 118.233 0.1 1 323 56 55 ASP H H 8.018 0.020 1 324 56 55 ASP C C 178.512 0.1 1 325 56 55 ASP CA C 57.769 0.1 1 326 56 55 ASP CB C 40.477 0.1 1 327 56 55 ASP N N 120.888 0.1 1 328 57 56 TYR H H 8.150 0.020 1 329 57 56 TYR C C 178.415 0.1 1 330 57 56 TYR CA C 61.611 0.1 1 331 57 56 TYR CB C 36.989 0.1 1 332 57 56 TYR N N 121.557 0.1 1 333 58 57 CYS H H 8.482 0.020 1 334 58 57 CYS HG H 2.827 0.020 1 335 58 57 CYS C C 176.392 0.1 1 336 58 57 CYS CA C 63.732 0.1 1 337 58 57 CYS CB C 26.487 0.1 1 338 58 57 CYS N N 117.289 0.1 1 339 59 58 ARG H H 8.730 0.020 1 340 59 58 ARG C C 178.360 0.1 1 341 59 58 ARG CA C 59.837 0.1 1 342 59 58 ARG CB C 29.078 0.1 1 343 59 58 ARG N N 119.143 0.1 1 344 60 59 HIS H H 8.010 0.020 1 345 60 59 HIS C C 177.370 0.1 1 346 60 59 HIS CA C 59.855 0.1 1 347 60 59 HIS CB C 28.335 0.1 1 348 60 59 HIS N N 117.053 0.1 1 349 61 60 HIS H H 7.952 0.020 1 350 61 60 HIS C C 176.095 0.1 1 351 61 60 HIS CA C 58.719 0.1 1 352 61 60 HIS CB C 28.616 0.1 1 353 61 60 HIS N N 115.624 0.1 1 354 62 61 HIS H H 8.232 0.020 1 355 62 61 HIS C C 176.048 0.1 1 356 62 61 HIS CA C 58.681 0.1 1 357 62 61 HIS CB C 30.188 0.1 1 358 62 61 HIS N N 119.284 0.1 1 359 63 62 GLN H H 7.499 0.020 1 360 63 62 GLN C C 175.214 0.1 1 361 63 62 GLN CA C 55.798 0.1 1 362 63 62 GLN CB C 28.473 0.1 1 363 63 62 GLN N N 115.400 0.1 1 364 64 63 HIS H H 7.598 0.020 1 365 64 63 HIS C C 171.959 0.1 1 366 64 63 HIS CA C 52.984 0.1 1 367 64 63 HIS CB C 28.296 0.1 1 368 64 63 HIS N N 117.647 0.1 1 369 65 64 PRO C C 177.090 0.1 1 370 65 64 PRO CA C 62.773 0.1 1 371 65 64 PRO CB C 31.090 0.1 1 372 66 65 SER H H 8.439 0.020 1 373 66 65 SER C C 172.910 0.1 1 374 66 65 SER CA C 56.007 0.1 1 375 66 65 SER CB C 62.514 0.1 1 376 66 65 SER N N 117.072 0.1 1 377 67 66 PRO C C 176.931 0.1 1 378 67 66 PRO CA C 62.938 0.1 1 379 67 66 PRO CB C 31.136 0.1 1 380 68 67 GLN H H 8.439 0.020 1 381 68 67 GLN C C 176.466 0.1 1 382 68 67 GLN CA C 55.361 0.1 1 383 68 67 GLN CB C 28.849 0.1 1 384 68 67 GLN N N 119.982 0.1 1 385 69 68 GLY H H 8.328 0.020 1 386 69 68 GLY C C 173.963 0.1 1 387 69 68 GLY CA C 44.961 0.1 1 388 69 68 GLY N N 109.515 0.1 1 389 70 69 ASP H H 8.268 0.020 1 390 70 69 ASP C C 176.055 0.1 1 391 70 69 ASP CA C 54.037 0.1 1 392 70 69 ASP CB C 40.587 0.1 1 393 70 69 ASP N N 120.325 0.1 1 394 71 70 ASP H H 8.317 0.020 1 395 71 70 ASP C C 176.390 0.1 1 396 71 70 ASP CA C 54.150 0.1 1 397 71 70 ASP CB C 40.300 0.1 1 398 71 70 ASP N N 119.772 0.1 1 399 72 71 LYS H H 8.130 0.020 1 400 72 71 LYS C C 176.789 0.1 1 401 72 71 LYS CA C 55.870 0.1 1 402 72 71 LYS CB C 31.348 0.1 1 403 72 71 LYS N N 120.359 0.1 1 404 73 72 LYS H H 8.150 0.020 1 405 73 72 LYS C C 176.366 0.1 1 406 73 72 LYS CA C 56.216 0.1 1 407 73 72 LYS CB C 31.702 0.1 1 408 73 72 LYS N N 120.926 0.1 1 409 74 73 ASP H H 8.236 0.020 1 410 74 73 ASP C C 176.253 0.1 1 411 74 73 ASP CA C 53.958 0.1 1 412 74 73 ASP CB C 40.544 0.1 1 413 74 73 ASP N N 120.122 0.1 1 414 75 74 GLU H H 8.260 0.020 1 415 75 74 GLU C C 176.468 0.1 1 416 75 74 GLU CA C 56.469 0.1 1 417 75 74 GLU CB C 29.345 0.1 1 418 75 74 GLU N N 120.919 0.1 1 419 76 75 LYS H H 8.258 0.020 1 420 76 75 LYS C C 176.541 0.1 1 421 76 75 LYS CA C 55.850 0.1 1 422 76 75 LYS CB C 31.448 0.1 1 423 76 75 LYS N N 120.887 0.1 1 424 77 76 ARG H H 8.184 0.020 1 425 77 76 ARG C C 176.480 0.1 1 426 77 76 ARG CA C 55.533 0.1 1 427 77 76 ARG CB C 29.759 0.1 1 428 77 76 ARG N N 121.223 0.1 1 429 78 77 LEU H H 8.286 0.020 1 430 78 77 LEU HD1 H 0.827 0.020 2 431 78 77 LEU HD2 H 0.882 0.020 2 432 78 77 LEU C C 177.088 0.1 1 433 78 77 LEU CA C 55.206 0.1 1 434 78 77 LEU CB C 41.139 0.1 1 435 78 77 LEU CG C 26.389 0.1 1 436 78 77 LEU CD1 C 23.338 0.1 2 437 78 77 LEU CD2 C 24.802 0.1 2 438 78 77 LEU N N 122.541 0.1 1 439 79 78 ASP H H 8.164 0.020 1 440 79 78 ASP C C 175.660 0.1 1 441 79 78 ASP CA C 53.865 0.1 1 442 79 78 ASP CB C 40.472 0.1 1 443 79 78 ASP N N 118.546 0.1 1 444 80 79 ASP H H 7.963 0.020 1 445 80 79 ASP C C 175.670 0.1 1 446 80 79 ASP CA C 53.810 0.1 1 447 80 79 ASP CB C 40.673 0.1 1 448 80 79 ASP N N 119.497 0.1 1 449 81 80 ILE H H 7.938 0.020 1 450 81 80 ILE HD1 H 0.760 0.020 1 451 81 80 ILE C C 173.941 0.1 1 452 81 80 ILE CA C 58.550 0.1 1 453 81 80 ILE CB C 38.241 0.1 1 454 81 80 ILE CD1 C 12.756 0.1 1 455 81 80 ILE N N 121.802 0.1 1 456 83 82 PRO C C 177.998 0.1 1 457 83 82 PRO CA C 65.180 0.1 1 458 84 83 TYR H H 8.371 0.020 1 459 84 83 TYR C C 177.227 0.1 1 460 84 83 TYR CA C 60.945 0.1 1 461 84 83 TYR CB C 37.431 0.1 1 462 84 83 TYR N N 117.056 0.1 1 463 85 84 ASP H H 7.501 0.020 1 464 85 84 ASP C C 177.487 0.1 1 465 85 84 ASP CA C 56.261 0.1 1 466 85 84 ASP CB C 40.235 0.1 1 467 85 84 ASP N N 119.442 0.1 1 468 86 85 ARG H H 7.990 0.020 1 469 86 85 ARG C C 178.776 0.1 1 470 86 85 ARG CA C 58.390 0.1 1 471 86 85 ARG CB C 29.030 0.1 1 472 86 85 ARG N N 119.453 0.1 1 473 87 86 ASP H H 7.819 0.020 1 474 87 86 ASP C C 178.717 0.1 1 475 87 86 ASP CA C 56.243 0.1 1 476 87 86 ASP CB C 39.456 0.1 1 477 87 86 ASP N N 118.671 0.1 1 478 88 87 PHE H H 8.417 0.020 1 479 88 87 PHE C C 175.990 0.1 1 480 88 87 PHE CA C 60.731 0.1 1 481 88 87 PHE CB C 38.680 0.1 1 482 88 87 PHE N N 122.457 0.1 1 483 89 88 CYS H H 7.293 0.020 1 484 89 88 CYS C C 173.977 0.1 1 485 89 88 CYS CA C 60.042 0.1 1 486 89 88 CYS CB C 27.319 0.1 1 487 89 88 CYS N N 110.018 0.1 1 488 90 89 LYS H H 7.279 0.020 1 489 90 89 LYS C C 175.144 0.1 1 490 90 89 LYS CA C 55.354 0.1 1 491 90 89 LYS CB C 29.110 0.1 1 492 90 89 LYS N N 123.039 0.1 1 493 91 90 VAL H H 7.291 0.020 1 494 91 90 VAL HG1 H 0.594 0.020 2 495 91 90 VAL HG2 H 0.688 0.020 2 496 91 90 VAL C C 174.476 0.1 1 497 91 90 VAL CA C 58.616 0.1 1 498 91 90 VAL CB C 34.231 0.1 1 499 91 90 VAL CG1 C 18.444 0.1 2 500 91 90 VAL CG2 C 21.650 0.1 2 501 91 90 VAL N N 115.498 0.1 1 502 92 91 ASP H H 8.062 0.020 1 503 92 91 ASP C C 175.318 0.1 1 504 92 91 ASP CA C 53.187 0.1 1 505 92 91 ASP CB C 40.472 0.1 1 506 92 91 ASP N N 118.546 0.1 1 507 93 92 GLN H H 8.710 0.020 1 508 93 92 GLN C C 175.351 0.1 1 509 93 92 GLN CA C 60.635 0.1 1 510 93 92 GLN N N 117.475 0.1 1 511 94 93 PRO C C 178.966 0.1 1 512 94 93 PRO CA C 66.283 0.1 1 513 94 93 PRO CB C 29.826 0.1 1 514 95 94 THR H H 7.555 0.020 1 515 95 94 THR C C 175.673 0.1 1 516 95 94 THR CA C 66.398 0.1 1 517 95 94 THR N N 113.745 0.1 1 518 96 95 LEU H H 8.197 0.020 1 519 96 95 LEU C C 178.511 0.1 1 520 96 95 LEU CA C 58.098 0.1 1 521 96 95 LEU CB C 40.177 0.1 1 522 96 95 LEU N N 123.005 0.1 1 523 97 96 PHE H H 7.904 0.020 1 524 97 96 PHE C C 178.158 0.1 1 525 97 96 PHE CA C 61.510 0.1 1 526 97 96 PHE N N 114.486 0.1 1 527 98 97 GLU H H 8.045 0.020 1 528 98 97 GLU C C 180.713 0.1 1 529 98 97 GLU CA C 59.254 0.1 1 530 98 97 GLU CB C 28.087 0.1 1 531 98 97 GLU N N 117.581 0.1 1 532 99 98 LEU H H 8.677 0.020 1 533 99 98 LEU HD1 H 0.705 0.020 2 534 99 98 LEU HD2 H 0.846 0.020 2 535 99 98 LEU C C 178.244 0.1 1 536 99 98 LEU CA C 57.974 0.1 1 537 99 98 LEU CB C 41.722 0.1 1 538 99 98 LEU CD1 C 25.757 0.1 2 539 99 98 LEU CD2 C 23.918 0.1 2 540 99 98 LEU N N 122.372 0.1 1 541 100 99 ILE H H 7.909 0.020 1 542 100 99 ILE C C 178.041 0.1 1 543 100 99 ILE CA C 65.830 0.1 1 544 100 99 ILE CB C 37.096 0.1 1 545 100 99 ILE N N 120.984 0.1 1 546 101 100 LEU H H 7.835 0.020 1 547 101 100 LEU C C 180.788 0.1 1 548 101 100 LEU CA C 57.533 0.1 1 549 101 100 LEU CB C 40.033 0.1 1 550 101 100 LEU N N 116.670 0.1 1 551 102 101 ALA H H 8.433 0.020 1 552 102 101 ALA C C 179.302 0.1 1 553 102 101 ALA CA C 54.502 0.1 1 554 102 101 ALA CB C 18.055 0.1 1 555 102 101 ALA N N 121.545 0.1 1 556 103 102 ALA H H 8.948 0.020 1 557 103 102 ALA C C 179.264 0.1 1 558 103 102 ALA CA C 55.103 0.1 1 559 103 102 ALA CB C 16.776 0.1 1 560 103 102 ALA N N 120.916 0.1 1 561 104 103 ASN H H 8.231 0.020 1 562 104 103 ASN C C 177.378 0.1 1 563 104 103 ASN CA C 55.937 0.1 1 564 104 103 ASN CB C 39.645 0.1 1 565 104 103 ASN N N 114.988 0.1 1 566 105 104 TYR H H 8.406 0.020 1 567 105 104 TYR C C 178.110 0.1 1 568 105 104 TYR CA C 59.412 0.1 1 569 105 104 TYR CB C 37.768 0.1 1 570 105 104 TYR N N 120.873 0.1 1 571 106 105 LEU H H 8.939 0.020 1 572 106 105 LEU HD1 H 0.780 0.020 2 573 106 105 LEU HD2 H 0.596 0.020 2 574 106 105 LEU C C 176.455 0.1 1 575 106 105 LEU CA C 54.105 0.1 1 576 106 105 LEU CB C 40.482 0.1 1 577 106 105 LEU CD1 C 26.038 0.1 2 578 106 105 LEU CD2 C 22.205 0.1 2 579 106 105 LEU N N 114.475 0.1 1 580 107 106 ASP H H 7.794 0.020 1 581 107 106 ASP C C 174.027 0.1 1 582 107 106 ASP CA C 54.552 0.1 1 583 107 106 ASP CB C 38.479 0.1 1 584 107 106 ASP N N 125.428 0.1 1 585 108 107 ILE H H 7.935 0.020 1 586 108 107 ILE HD1 H 0.656 0.020 1 587 108 107 ILE C C 175.756 0.1 1 588 108 107 ILE CA C 58.875 0.1 1 589 108 107 ILE CB C 37.328 0.1 1 590 108 107 ILE CD1 C 16.005 0.1 1 591 108 107 ILE N N 120.987 0.1 1 592 109 108 LYS H H 9.157 0.020 1 593 109 108 LYS C C 175.727 0.1 1 594 109 108 LYS CA C 60.992 0.1 1 595 109 108 LYS CB C 28.850 0.1 1 596 109 108 LYS N N 127.760 0.1 1 597 110 109 PRO C C 178.624 0.1 1 598 110 109 PRO CA C 65.529 0.1 1 599 110 109 PRO CB C 29.327 0.1 1 600 111 110 LEU H H 6.386 0.020 1 601 111 110 LEU HD1 H 0.101 0.020 2 602 111 110 LEU HD2 H 0.609 0.020 2 603 111 110 LEU C C 178.681 0.1 1 604 111 110 LEU CA C 55.413 0.1 1 605 111 110 LEU CB C 39.863 0.1 1 606 111 110 LEU CG C 25.824 0.1 1 607 111 110 LEU CD1 C 22.221 0.1 2 608 111 110 LEU CD2 C 26.342 0.1 2 609 111 110 LEU N N 115.685 0.1 1 610 112 111 LEU H H 7.826 0.020 1 611 112 111 LEU HD1 H 0.890 0.020 2 612 112 111 LEU HD2 H 0.890 0.020 2 613 112 111 LEU C C 177.555 0.1 1 614 112 111 LEU CA C 57.492 0.1 1 615 112 111 LEU CB C 40.945 0.1 1 616 112 111 LEU CD1 C 25.262 0.1 2 617 112 111 LEU CD2 C 25.262 0.1 2 618 112 111 LEU N N 123.799 0.1 1 619 113 112 ASP H H 8.213 0.020 1 620 113 112 ASP C C 178.725 0.1 1 621 113 112 ASP CA C 57.477 0.1 1 622 113 112 ASP CB C 40.452 0.1 1 623 113 112 ASP N N 116.342 0.1 1 624 114 113 VAL H H 7.685 0.020 1 625 114 113 VAL HG1 H 1.091 0.020 2 626 114 113 VAL HG2 H 1.140 0.020 2 627 114 113 VAL C C 178.708 0.1 1 628 114 113 VAL CA C 65.362 0.1 1 629 114 113 VAL CB C 30.947 0.1 1 630 114 113 VAL CG1 C 20.642 0.1 2 631 114 113 VAL CG2 C 22.079 0.1 2 632 114 113 VAL N N 114.917 0.1 1 633 115 114 THR H H 7.894 0.020 1 634 115 114 THR HG1 H 4.024 0.020 1 635 115 114 THR C C 177.657 0.1 1 636 115 114 THR CA C 65.469 0.1 1 637 115 114 THR CB C 66.927 0.1 1 638 115 114 THR N N 115.961 0.1 1 639 116 115 CYS H H 8.243 0.020 1 640 116 115 CYS HG H 2.539 0.020 1 641 116 115 CYS C C 177.218 0.1 1 642 116 115 CYS CA C 64.906 0.1 1 643 116 115 CYS CB C 26.383 0.1 1 644 116 115 CYS N N 119.653 0.1 1 645 117 116 LYS H H 8.331 0.020 1 646 117 116 LYS C C 178.683 0.1 1 647 117 116 LYS CA C 59.432 0.1 1 648 117 116 LYS CB C 31.430 0.1 1 649 117 116 LYS N N 119.486 0.1 1 650 118 117 THR H H 7.694 0.020 1 651 118 117 THR C C 176.856 0.1 1 652 118 117 THR CA C 67.177 0.1 1 653 118 117 THR N N 116.046 0.1 1 654 119 118 VAL H H 7.663 0.020 1 655 119 118 VAL C C 177.471 0.1 1 656 119 118 VAL CA C 66.331 0.1 1 657 119 118 VAL CB C 30.814 0.1 1 658 119 118 VAL N N 121.447 0.1 1 659 120 119 ALA H H 8.477 0.020 1 660 120 119 ALA C C 179.903 0.1 1 661 120 119 ALA CA C 54.954 0.1 1 662 120 119 ALA CB C 17.210 0.1 1 663 120 119 ALA N N 121.189 0.1 1 664 121 120 ASN H H 8.004 0.020 1 665 121 120 ASN C C 177.322 0.1 1 666 121 120 ASN CA C 54.947 0.1 1 667 121 120 ASN CB C 37.595 0.1 1 668 121 120 ASN N N 114.021 0.1 1 669 122 121 MET H H 7.843 0.020 1 670 122 121 MET C C 177.470 0.1 1 671 122 121 MET CA C 58.004 0.1 1 672 122 121 MET CB C 32.970 0.1 1 673 122 121 MET N N 118.516 0.1 1 674 125 124 GLY C C 174.290 0.1 1 675 125 124 GLY CA C 45.320 0.1 1 676 126 125 LYS H H 7.489 0.020 1 677 126 125 LYS C C 176.915 0.1 1 678 126 125 LYS CA C 53.848 0.1 1 679 126 125 LYS CB C 32.658 0.1 1 680 126 125 LYS N N 118.550 0.1 1 681 127 126 THR H H 9.026 0.020 1 682 127 126 THR C C 173.714 0.1 1 683 127 126 THR CA C 59.822 0.1 1 684 127 126 THR CB C 67.918 0.1 1 685 127 126 THR N N 113.338 0.1 1 686 139 138 ASN C C 174.500 0.1 1 687 139 138 ASN CA C 52.730 0.1 1 688 139 138 ASN CB C 38.530 0.1 1 689 140 139 ASP H H 8.174 0.020 1 690 140 139 ASP C C 175.470 0.1 1 691 140 139 ASP CA C 53.807 0.1 1 692 140 139 ASP CB C 40.498 0.1 1 693 140 139 ASP N N 120.034 0.1 1 694 141 140 PHE H H 8.048 0.020 1 695 141 140 PHE C C 175.628 0.1 1 696 141 140 PHE CA C 56.957 0.1 1 697 141 140 PHE CB C 39.013 0.1 1 698 141 140 PHE N N 119.462 0.1 1 699 142 141 THR H H 8.246 0.020 1 700 142 141 THR C C 172.698 0.1 1 701 142 141 THR CA C 59.266 0.1 1 702 142 141 THR CB C 69.024 0.1 1 703 142 141 THR N N 118.237 0.1 1 704 143 142 PRO C C 177.529 0.1 1 705 143 142 PRO CA C 63.329 0.1 1 706 143 142 PRO CB C 30.935 0.1 1 707 144 143 GLU H H 8.507 0.020 1 708 144 143 GLU C C 177.360 0.1 1 709 144 143 GLU CA C 57.157 0.1 1 710 144 143 GLU CB C 29.006 0.1 1 711 144 143 GLU N N 119.729 0.1 1 712 145 144 GLU H H 8.210 0.020 1 713 145 144 GLU C C 177.151 0.1 1 714 145 144 GLU CA C 56.724 0.1 1 715 145 144 GLU CB C 29.444 0.1 1 716 145 144 GLU N N 120.844 0.1 1 717 146 145 GLU H H 8.294 0.020 1 718 146 145 GLU C C 177.143 0.1 1 719 146 145 GLU CA C 57.005 0.1 1 720 146 145 GLU CB C 29.282 0.1 1 721 146 145 GLU N N 120.718 0.1 1 722 147 146 GLU H H 8.221 0.020 1 723 147 146 GLU C C 176.969 0.1 1 724 147 146 GLU CA C 56.948 0.1 1 725 147 146 GLU CB C 29.100 0.1 1 726 147 146 GLU N N 120.644 0.1 1 727 148 147 GLN H H 8.123 0.020 1 728 148 147 GLN C C 176.520 0.1 1 729 148 147 GLN CA C 56.090 0.1 1 730 148 147 GLN CB C 28.132 0.1 1 731 148 147 GLN N N 120.041 0.1 1 732 149 148 ILE H H 7.960 0.020 1 733 149 148 ILE HD1 H 0.731 0.020 1 734 149 148 ILE C C 176.657 0.1 1 735 149 148 ILE CA C 61.454 0.1 1 736 149 148 ILE CB C 37.421 0.1 1 737 149 148 ILE CG1 C 26.780 0.1 1 738 149 148 ILE CD1 C 12.553 0.1 1 739 149 148 ILE N N 120.799 0.1 1 740 150 149 ARG H H 8.148 0.020 1 741 150 149 ARG C C 176.737 0.1 1 742 150 149 ARG CA C 56.194 0.1 1 743 150 149 ARG CB C 29.545 0.1 1 744 150 149 ARG N N 123.553 0.1 1 745 151 150 LYS H H 8.213 0.020 1 746 151 150 LYS C C 177.059 0.1 1 747 151 150 LYS CA C 56.242 0.1 1 748 151 150 LYS CB C 31.843 0.1 1 749 151 150 LYS N N 121.924 0.1 1 750 152 151 GLU H H 8.314 0.020 1 751 152 151 GLU C C 176.576 0.1 1 752 152 151 GLU CA C 56.679 0.1 1 753 152 151 GLU CB C 29.087 0.1 1 754 152 151 GLU N N 120.565 0.1 1 755 153 152 ASN H H 8.225 0.020 1 756 153 152 ASN C C 175.207 0.1 1 757 153 152 ASN CA C 53.161 0.1 1 758 153 152 ASN CB C 38.324 0.1 1 759 153 152 ASN N N 117.636 0.1 1 760 154 153 GLU H H 8.139 0.020 1 761 154 153 GLU C C 176.141 0.1 1 762 154 153 GLU CA C 56.553 0.1 1 763 154 153 GLU CB C 29.230 0.1 1 764 154 153 GLU N N 120.143 0.1 1 765 155 154 TRP H H 8.080 0.020 1 766 155 154 TRP HE1 H 10.094 0.020 1 767 155 154 TRP C C 175.880 0.1 1 768 155 154 TRP CA C 56.996 0.1 1 769 155 154 TRP CB C 28.749 0.1 1 770 155 154 TRP N N 121.067 0.1 1 771 155 154 TRP NE1 N 128.980 0.1 1 772 156 155 CYS H H 7.818 0.020 1 773 156 155 CYS C C 173.881 0.1 1 774 156 155 CYS CA C 57.593 0.1 1 775 156 155 CYS CB C 27.661 0.1 1 776 156 155 CYS N N 120.791 0.1 1 777 157 156 GLU H H 8.203 0.020 1 778 157 156 GLU C C 175.967 0.1 1 779 157 156 GLU CA C 56.338 0.1 1 780 157 156 GLU CB C 29.419 0.1 1 781 157 156 GLU N N 122.966 0.1 1 782 158 157 ASP H H 8.261 0.020 1 783 158 157 ASP C C 176.313 0.1 1 784 158 157 ASP CA C 53.964 0.1 1 785 158 157 ASP CB C 40.452 0.1 1 786 158 157 ASP N N 120.999 0.1 1 787 159 158 LYS H H 8.217 0.020 1 788 159 158 LYS C C 177.272 0.1 1 789 159 158 LYS CA C 55.804 0.1 1 790 159 158 LYS CB C 31.595 0.1 1 791 159 158 LYS N N 121.869 0.1 1 792 160 159 GLY H H 8.352 0.020 1 793 160 159 GLY C C 174.554 0.1 1 794 160 159 GLY CA C 45.014 0.1 1 795 160 159 GLY N N 108.924 0.1 1 796 161 160 GLY H H 8.169 0.020 1 797 161 160 GLY C C 173.229 0.1 1 798 161 160 GLY CA C 44.798 0.1 1 799 161 160 GLY N N 108.562 0.1 1 800 162 161 ASN H H 7.896 0.020 1 801 162 161 ASN C C 179.542 0.1 1 802 162 161 ASN CA C 54.356 0.1 1 803 162 161 ASN CB C 39.789 0.1 1 804 162 161 ASN N N 123.431 0.1 1 stop_ save_