data_28092 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Art v 3 allergen from Artemisia vulgaris ; _BMRB_accession_number 28092 _BMRB_flat_file_name bmr28092.str _Entry_type original _Submission_date 2020-03-06 _Accession_date 2020-03-06 _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 'Di Muzio' Martina . . 2 Wildner Sabrina . . 3 Gadermaier Gabriele . . 4 Schubert Mario . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 589 "13C chemical shifts" 537 "15N chemical shifts" 192 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-10-09 original BMRB . stop_ _Original_release_date 2020-03-06 save_ ############################# # Citation for this entry # ############################# save_paper _Saveframe_category entry_citation _Citation_full . _Citation_title ; Hydrogen/deuterium exchange memory NMR reveals structural epitopes involved in IgE cross-reactivity of allergenic lipid transfer proteins ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Di Muzio' Martina . . 2 Wildner Sabrina . . 3 Gadermaier Gabriele . . 4 Schubert Mario . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword allergen 'lipid transfer protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Artv3 solution' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Artv3 $Artv3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function allergen stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Artv3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Artv3 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; MIKCSDVSNKISACLSYLKQ GGEVPADCCTGVKGLNDAAK TTPDRQTACNCLKTTFKSNK DFKSDFAASLPSKCGVNIPY KISLETDCNKVK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 LYS 4 CYS 5 SER 6 ASP 7 VAL 8 SER 9 ASN 10 LYS 11 ILE 12 SER 13 ALA 14 CYS 15 LEU 16 SER 17 TYR 18 LEU 19 LYS 20 GLN 21 GLY 22 GLY 23 GLU 24 VAL 25 PRO 26 ALA 27 ASP 28 CYS 29 CYS 30 THR 31 GLY 32 VAL 33 LYS 34 GLY 35 LEU 36 ASN 37 ASP 38 ALA 39 ALA 40 LYS 41 THR 42 THR 43 PRO 44 ASP 45 ARG 46 GLN 47 THR 48 ALA 49 CYS 50 ASN 51 CYS 52 LEU 53 LYS 54 THR 55 THR 56 PHE 57 LYS 58 SER 59 ASN 60 LYS 61 ASP 62 PHE 63 LYS 64 SER 65 ASP 66 PHE 67 ALA 68 ALA 69 SER 70 LEU 71 PRO 72 SER 73 LYS 74 CYS 75 GLY 76 VAL 77 ASN 78 ILE 79 PRO 80 TYR 81 LYS 82 ILE 83 SER 84 LEU 85 GLU 86 THR 87 ASP 88 CYS 89 ASN 90 LYS 91 VAL 92 LYS 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 $Artv3 'Artemisia vulgaris' 4220 Eukaryota Viridiplantae Artemisia vulgaris 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 $Artv3 'recombinant technology' . Escherichia coli . 'pHis Parallel2' 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 $Artv3 1.36 mM '[U-98% 13C; U-98% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.115 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 30 . mM pH 6.0 . pH pressure 1 . atm temperature 278 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 30 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 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_278K _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D 1H-13C NOESY 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 Artv3 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.369 0.01 1 2 1 1 MET HB2 H 2.166 0.01 2 3 1 1 MET HB3 H 2.166 0.01 2 4 1 1 MET HG2 H 2.613 0.01 2 5 1 1 MET HG3 H 2.613 0.01 2 6 1 1 MET HE H 2.106 0.01 1 7 1 1 MET C C 172.096 0.2 1 8 1 1 MET CA C 54.888 0.2 1 9 1 1 MET CB C 32.542 0.2 1 10 1 1 MET CG C 30.967 0.2 1 11 1 1 MET CE C 16.685 0.2 1 12 2 2 ILE H H 8.499 0.01 1 13 2 2 ILE HA H 4.407 0.01 1 14 2 2 ILE HB H 1.831 0.01 1 15 2 2 ILE HG12 H 1.653 0.01 2 16 2 2 ILE HG13 H 1.316 0.01 2 17 2 2 ILE HG2 H 0.806 0.01 1 18 2 2 ILE HD1 H 0.757 0.01 1 19 2 2 ILE C C 173.040 0.2 1 20 2 2 ILE CA C 60.457 0.2 1 21 2 2 ILE CB C 39.888 0.2 1 22 2 2 ILE CG1 C 28.116 0.2 1 23 2 2 ILE CG2 C 16.913 0.2 1 24 2 2 ILE CD1 C 13.006 0.2 1 25 2 2 ILE N N 125.463 0.2 1 26 3 3 LYS H H 8.770 0.01 1 27 3 3 LYS HA H 4.751 0.01 1 28 3 3 LYS HB2 H 2.019 0.01 2 29 3 3 LYS HB3 H 1.754 0.01 2 30 3 3 LYS HG2 H 1.486 0.01 2 31 3 3 LYS HG3 H 1.486 0.01 2 32 3 3 LYS C C 178.540 0.2 1 33 3 3 LYS CA C 54.116 0.2 1 34 3 3 LYS CB C 35.034 0.2 1 35 3 3 LYS CG C 24.705 0.2 1 36 3 3 LYS N N 123.684 0.2 1 37 4 4 CYS H H 9.432 0.01 1 38 4 4 CYS HA H 4.579 0.01 1 39 4 4 CYS HB2 H 3.399 0.01 2 40 4 4 CYS HB3 H 2.801 0.01 2 41 4 4 CYS C C 177.940 0.2 1 42 4 4 CYS CA C 55.411 0.2 1 43 4 4 CYS CB C 31.700 0.2 1 44 4 4 CYS N N 120.050 0.2 1 45 5 5 SER H H 8.886 0.01 1 46 5 5 SER HA H 4.165 0.01 1 47 5 5 SER HB2 H 3.928 0.01 2 48 5 5 SER HB3 H 3.841 0.01 2 49 5 5 SER C C 176.915 0.2 1 50 5 5 SER CA C 61.275 0.2 1 51 5 5 SER CB C 61.181 0.2 1 52 5 5 SER N N 116.849 0.2 1 53 6 6 ASP H H 7.180 0.01 1 54 6 6 ASP HA H 4.591 0.01 1 55 6 6 ASP HB2 H 3.060 0.01 2 56 6 6 ASP HB3 H 2.783 0.01 2 57 6 6 ASP C C 178.172 0.2 1 58 6 6 ASP CA C 57.228 0.2 1 59 6 6 ASP CB C 41.267 0.2 1 60 6 6 ASP N N 122.140 0.2 1 61 7 7 VAL H H 7.445 0.01 1 62 7 7 VAL HA H 3.440 0.01 1 63 7 7 VAL HB H 2.403 0.01 1 64 7 7 VAL HG1 H 1.005 0.01 2 65 7 7 VAL HG2 H 0.906 0.01 2 66 7 7 VAL C C 177.316 0.2 1 67 7 7 VAL CA C 66.866 0.2 1 68 7 7 VAL CB C 31.190 0.2 1 69 7 7 VAL CG1 C 22.237 0.2 2 70 7 7 VAL CG2 C 20.988 0.2 2 71 7 7 VAL N N 120.074 0.2 1 72 8 8 SER H H 8.684 0.01 1 73 8 8 SER HA H 3.968 0.01 1 74 8 8 SER HB2 H 3.971 0.01 2 75 8 8 SER HB3 H 3.875 0.01 2 76 8 8 SER C C 176.969 0.2 1 77 8 8 SER CA C 62.155 0.2 1 78 8 8 SER CB C 62.257 0.2 1 79 8 8 SER N N 113.811 0.2 1 80 9 9 ASN H H 7.777 0.01 1 81 9 9 ASN HA H 4.526 0.01 1 82 9 9 ASN HB2 H 3.058 0.01 2 83 9 9 ASN HB3 H 2.952 0.01 2 84 9 9 ASN HD21 H 7.872 0.01 2 85 9 9 ASN HD22 H 7.086 0.01 2 86 9 9 ASN C C 178.346 0.2 1 87 9 9 ASN CA C 56.349 0.2 1 88 9 9 ASN CB C 38.390 0.2 1 89 9 9 ASN CG C 176.050 0.2 1 90 9 9 ASN N N 119.302 0.2 1 91 9 9 ASN ND2 N 113.276 0.2 1 92 10 10 LYS H H 7.989 0.01 1 93 10 10 LYS HA H 4.220 0.01 1 94 10 10 LYS HB2 H 2.119 0.01 2 95 10 10 LYS HB3 H 2.034 0.01 2 96 10 10 LYS HG2 H 1.783 0.01 2 97 10 10 LYS HG3 H 1.432 0.01 2 98 10 10 LYS HE2 H 2.873 0.01 2 99 10 10 LYS HE3 H 2.795 0.01 2 100 10 10 LYS C C 178.311 0.2 1 101 10 10 LYS CA C 58.479 0.2 1 102 10 10 LYS CB C 32.224 0.2 1 103 10 10 LYS CG C 25.569 0.2 1 104 10 10 LYS CE C 42.238 0.2 1 105 10 10 LYS N N 118.813 0.2 1 106 11 11 ILE H H 7.518 0.01 1 107 11 11 ILE HA H 4.627 0.01 1 108 11 11 ILE HB H 1.906 0.01 1 109 11 11 ILE HG12 H 1.373 0.01 2 110 11 11 ILE HG13 H 1.373 0.01 2 111 11 11 ILE HG2 H 0.841 0.01 1 112 11 11 ILE HD1 H 0.719 0.01 1 113 11 11 ILE C C 177.621 0.2 1 114 11 11 ILE CA C 60.137 0.2 1 115 11 11 ILE CB C 39.531 0.2 1 116 11 11 ILE CG1 C 27.049 0.2 1 117 11 11 ILE CG2 C 17.287 0.2 1 118 11 11 ILE CD1 C 13.756 0.2 1 119 11 11 ILE N N 108.380 0.2 1 120 12 12 SER H H 7.522 0.01 1 121 12 12 SER HA H 4.166 0.01 1 122 12 12 SER HB2 H 4.160 0.01 2 123 12 12 SER HB3 H 4.035 0.01 2 124 12 12 SER C C 176.874 0.2 1 125 12 12 SER CA C 62.054 0.2 1 126 12 12 SER CB C 62.640 0.2 1 127 12 12 SER N N 119.644 0.2 1 128 13 13 ALA H H 8.989 0.01 1 129 13 13 ALA HA H 4.557 0.01 1 130 13 13 ALA HB H 1.353 0.01 1 131 13 13 ALA C C 178.601 0.2 1 132 13 13 ALA CA C 53.162 0.2 1 133 13 13 ALA CB C 18.157 0.2 1 134 13 13 ALA N N 122.579 0.2 1 135 14 14 CYS H H 8.668 0.01 1 136 14 14 CYS HA H 4.697 0.01 1 137 14 14 CYS HB2 H 3.226 0.01 2 138 14 14 CYS HB3 H 3.229 0.01 2 139 14 14 CYS C C 175.025 0.2 1 140 14 14 CYS CA C 53.812 0.2 1 141 14 14 CYS CB C 43.008 0.2 1 142 14 14 CYS N N 115.238 0.2 1 143 15 15 LEU H H 7.422 0.01 1 144 15 15 LEU HA H 3.785 0.01 1 145 15 15 LEU HB2 H 2.026 0.01 2 146 15 15 LEU HB3 H 1.550 0.01 2 147 15 15 LEU HG H 2.124 0.01 1 148 15 15 LEU HD1 H 1.081 0.01 2 149 15 15 LEU HD2 H 0.781 0.01 2 150 15 15 LEU C C 178.200 0.2 1 151 15 15 LEU CA C 59.504 0.2 1 152 15 15 LEU CB C 40.693 0.2 1 153 15 15 LEU CG C 26.511 0.2 1 154 15 15 LEU CD1 C 25.131 0.2 2 155 15 15 LEU CD2 C 21.701 0.2 2 156 15 15 LEU N N 118.729 0.2 1 157 16 16 SER H H 8.409 0.01 1 158 16 16 SER HA H 4.242 0.01 1 159 16 16 SER HB2 H 3.992 0.01 2 160 16 16 SER HB3 H 3.954 0.01 2 161 16 16 SER C C 176.829 0.2 1 162 16 16 SER CA C 62.112 0.2 1 163 16 16 SER CB C 61.941 0.2 1 164 16 16 SER N N 113.614 0.2 1 165 17 17 TYR H H 8.523 0.01 1 166 17 17 TYR HA H 4.116 0.01 1 167 17 17 TYR HB2 H 3.169 0.01 2 168 17 17 TYR HB3 H 2.975 0.01 2 169 17 17 TYR HD1 H 6.626 0.01 3 170 17 17 TYR HD2 H 6.626 0.01 3 171 17 17 TYR HE1 H 6.662 0.01 3 172 17 17 TYR HE2 H 6.662 0.01 3 173 17 17 TYR C C 177.124 0.2 1 174 17 17 TYR CA C 60.890 0.2 1 175 17 17 TYR CB C 37.562 0.2 1 176 17 17 TYR CD1 C 133.332 0.2 3 177 17 17 TYR CE1 C 117.858 0.2 3 178 17 17 TYR N N 125.458 0.2 1 179 18 18 LEU H H 8.188 0.01 1 180 18 18 LEU HA H 3.741 0.01 1 181 18 18 LEU HB2 H 1.762 0.01 2 182 18 18 LEU HB3 H 0.948 0.01 2 183 18 18 LEU HD1 H 0.943 0.01 2 184 18 18 LEU HD2 H 0.436 0.01 2 185 18 18 LEU C C 176.578 0.2 1 186 18 18 LEU CA C 57.398 0.2 1 187 18 18 LEU CB C 41.880 0.2 1 188 18 18 LEU CD1 C 24.903 0.2 2 189 18 18 LEU CD2 C 25.074 0.2 2 190 18 18 LEU N N 117.146 0.2 1 191 19 19 LYS H H 7.351 0.01 1 192 19 19 LYS HA H 4.942 0.01 1 193 19 19 LYS HB2 H 1.942 0.01 2 194 19 19 LYS HB3 H 1.942 0.01 2 195 19 19 LYS HG2 H 1.769 0.01 2 196 19 19 LYS HG3 H 1.190 0.01 2 197 19 19 LYS HE3 H 2.786 0.01 2 198 19 19 LYS C C 178.231 0.2 1 199 19 19 LYS CA C 57.855 0.2 1 200 19 19 LYS CB C 34.868 0.2 1 201 19 19 LYS CG C 25.789 0.2 1 202 19 19 LYS CE C 42.179 0.2 1 203 19 19 LYS N N 114.697 0.2 1 204 20 20 GLN H H 8.326 0.01 1 205 20 20 GLN HA H 4.618 0.01 1 206 20 20 GLN HB2 H 2.024 0.01 2 207 20 20 GLN HB3 H 2.024 0.01 2 208 20 20 GLN HG2 H 2.416 0.01 2 209 20 20 GLN HG3 H 2.296 0.01 2 210 20 20 GLN HE21 H 7.523 0.01 2 211 20 20 GLN HE22 H 6.956 0.01 2 212 20 20 GLN C C 176.150 0.2 1 213 20 20 GLN CA C 55.600 0.2 1 214 20 20 GLN CB C 31.326 0.2 1 215 20 20 GLN CG C 33.425 0.2 1 216 20 20 GLN CD C 180.704 0.2 1 217 20 20 GLN N N 114.966 0.2 1 218 20 20 GLN NE2 N 111.731 0.2 1 219 21 21 GLY H H 8.657 0.01 1 220 21 21 GLY HA2 H 2.633 0.01 2 221 21 21 GLY HA3 H 2.062 0.01 2 222 21 21 GLY C C 173.537 0.2 1 223 21 21 GLY CA C 44.350 0.2 1 224 21 21 GLY N N 116.964 0.2 1 225 22 22 GLY H H 8.338 0.01 1 226 22 22 GLY HA2 H 4.213 0.01 2 227 22 22 GLY HA3 H 3.644 0.01 2 228 22 22 GLY C C 173.859 0.2 1 229 22 22 GLY CA C 44.194 0.2 1 230 22 22 GLY N N 109.797 0.2 1 231 23 23 GLU H H 8.608 0.01 1 232 23 23 GLU HA H 4.150 0.01 1 233 23 23 GLU HB2 H 1.901 0.01 2 234 23 23 GLU HB3 H 1.837 0.01 2 235 23 23 GLU HG2 H 2.283 0.01 2 236 23 23 GLU HG3 H 2.171 0.01 2 237 23 23 GLU C C 176.960 0.2 1 238 23 23 GLU CA C 55.818 0.2 1 239 23 23 GLU CB C 30.108 0.2 1 240 23 23 GLU CG C 36.051 0.2 1 241 23 23 GLU N N 121.984 0.2 1 242 24 24 VAL H H 8.825 0.01 1 243 24 24 VAL HA H 3.723 0.01 1 244 24 24 VAL HB H 1.583 0.01 1 245 24 24 VAL HG1 H 0.521 0.01 2 246 24 24 VAL HG2 H 0.072 0.01 2 247 24 24 VAL C C 174.791 0.2 1 248 24 24 VAL CA C 60.220 0.2 1 249 24 24 VAL CB C 32.128 0.2 1 250 24 24 VAL CG1 C 22.887 0.2 2 251 24 24 VAL CG2 C 21.143 0.2 2 252 24 24 VAL N N 126.904 0.2 1 253 25 25 PRO HA H 4.498 0.01 1 254 25 25 PRO HB2 H 2.547 0.01 2 255 25 25 PRO HB3 H 1.936 0.01 2 256 25 25 PRO HG2 H 2.218 0.01 2 257 25 25 PRO HD2 H 4.305 0.01 2 258 25 25 PRO HD3 H 3.388 0.01 2 259 25 25 PRO C C 178.065 0.2 1 260 25 25 PRO CA C 62.737 0.2 1 261 25 25 PRO CB C 32.542 0.2 1 262 25 25 PRO CG C 28.277 0.2 1 263 25 25 PRO CD C 51.252 0.2 1 264 26 26 ALA H H 9.214 0.01 1 265 26 26 ALA HA H 4.056 0.01 1 266 26 26 ALA HB H 1.454 0.01 1 267 26 26 ALA C C 180.389 0.2 1 268 26 26 ALA CA C 55.898 0.2 1 269 26 26 ALA CB C 17.859 0.2 1 270 26 26 ALA N N 128.853 0.2 1 271 27 27 ASP H H 9.227 0.01 1 272 27 27 ASP HA H 4.396 0.01 1 273 27 27 ASP HB2 H 2.631 0.01 2 274 27 27 ASP HB3 H 2.513 0.01 2 275 27 27 ASP C C 179.832 0.2 1 276 27 27 ASP CA C 56.676 0.2 1 277 27 27 ASP CB C 39.234 0.2 1 278 27 27 ASP N N 114.692 0.2 1 279 28 28 CYS H H 7.595 0.01 1 280 28 28 CYS HA H 4.588 0.01 1 281 28 28 CYS HB2 H 3.307 0.01 2 282 28 28 CYS HB3 H 2.825 0.01 2 283 28 28 CYS C C 175.364 0.2 1 284 28 28 CYS CA C 58.408 0.2 1 285 28 28 CYS CB C 37.532 0.2 1 286 28 28 CYS N N 118.462 0.2 1 287 29 29 CYS H H 7.328 0.01 1 288 29 29 CYS HA H 4.694 0.01 1 289 29 29 CYS HB2 H 3.170 0.01 2 290 29 29 CYS HB3 H 2.905 0.01 2 291 29 29 CYS C C 177.925 0.2 1 292 29 29 CYS CA C 54.912 0.2 1 293 29 29 CYS CB C 32.025 0.2 1 294 29 29 CYS N N 117.110 0.2 1 295 30 30 THR H H 8.867 0.01 1 296 30 30 THR HA H 3.925 0.01 1 297 30 30 THR HB H 4.191 0.01 1 298 30 30 THR HG2 H 1.251 0.01 1 299 30 30 THR C C 177.265 0.2 1 300 30 30 THR CA C 66.850 0.2 1 301 30 30 THR CB C 68.464 0.2 1 302 30 30 THR CG2 C 22.383 0.2 1 303 30 30 THR N N 119.250 0.2 1 304 31 31 GLY H H 7.767 0.01 1 305 31 31 GLY HA2 H 4.539 0.01 2 306 31 31 GLY HA3 H 4.009 0.01 2 307 31 31 GLY C C 175.467 0.2 1 308 31 31 GLY CA C 47.709 0.2 1 309 31 31 GLY N N 113.406 0.2 1 310 32 32 VAL H H 8.632 0.01 1 311 32 32 VAL HA H 3.463 0.01 1 312 32 32 VAL HB H 2.159 0.01 1 313 32 32 VAL HG1 H 1.037 0.01 2 314 32 32 VAL HG2 H 0.768 0.01 2 315 32 32 VAL C C 177.976 0.2 1 316 32 32 VAL CA C 66.983 0.2 1 317 32 32 VAL CB C 31.772 0.2 1 318 32 32 VAL CG1 C 23.959 0.2 2 319 32 32 VAL CG2 C 21.642 0.2 2 320 32 32 VAL N N 122.816 0.2 1 321 33 33 LYS H H 8.437 0.01 1 322 33 33 LYS HA H 3.936 0.01 1 323 33 33 LYS HB2 H 1.976 0.01 2 324 33 33 LYS HB3 H 1.834 0.01 2 325 33 33 LYS HG2 H 1.506 0.01 2 326 33 33 LYS HG3 H 1.421 0.01 2 327 33 33 LYS C C 178.811 0.2 1 328 33 33 LYS CA C 60.152 0.2 1 329 33 33 LYS CB C 32.300 0.2 1 330 33 33 LYS CG C 25.577 0.2 1 331 33 33 LYS N N 120.748 0.2 1 332 34 34 GLY H H 8.294 0.01 1 333 34 34 GLY HA2 H 4.032 0.01 2 334 34 34 GLY HA3 H 3.938 0.01 2 335 34 34 GLY C C 176.925 0.2 1 336 34 34 GLY CA C 47.075 0.2 1 337 34 34 GLY N N 107.061 0.2 1 338 35 35 LEU H H 8.760 0.01 1 339 35 35 LEU HA H 3.988 0.01 1 340 35 35 LEU HB2 H 2.199 0.01 2 341 35 35 LEU HB3 H 1.517 0.01 2 342 35 35 LEU HD1 H 0.976 0.01 2 343 35 35 LEU HD2 H 0.939 0.01 2 344 35 35 LEU C C 177.917 0.2 1 345 35 35 LEU CA C 57.921 0.2 1 346 35 35 LEU CB C 41.794 0.2 1 347 35 35 LEU CD1 C 24.480 0.2 2 348 35 35 LEU CD2 C 25.759 0.2 2 349 35 35 LEU N N 124.896 0.2 1 350 36 36 ASN H H 7.887 0.01 1 351 36 36 ASN HA H 4.620 0.01 1 352 36 36 ASN HB2 H 3.055 0.01 2 353 36 36 ASN HB3 H 2.425 0.01 2 354 36 36 ASN HD21 H 8.101 0.01 2 355 36 36 ASN HD22 H 6.584 0.01 2 356 36 36 ASN C C 177.685 0.2 1 357 36 36 ASN CA C 55.493 0.2 1 358 36 36 ASN CB C 39.319 0.2 1 359 36 36 ASN CG C 174.896 0.2 1 360 36 36 ASN N N 117.609 0.2 1 361 36 36 ASN ND2 N 114.642 0.2 1 362 37 37 ASP H H 8.454 0.01 1 363 37 37 ASP HA H 4.294 0.01 1 364 37 37 ASP HB2 H 2.669 0.01 2 365 37 37 ASP HB3 H 2.669 0.01 2 366 37 37 ASP C C 177.029 0.2 1 367 37 37 ASP CA C 56.370 0.2 1 368 37 37 ASP CB C 40.494 0.2 1 369 37 37 ASP N N 117.274 0.2 1 370 38 38 ALA H H 7.691 0.01 1 371 38 38 ALA HA H 4.255 0.01 1 372 38 38 ALA HB H 1.465 0.01 1 373 38 38 ALA C C 176.951 0.2 1 374 38 38 ALA CA C 52.987 0.2 1 375 38 38 ALA CB C 18.892 0.2 1 376 38 38 ALA N N 118.364 0.2 1 377 39 39 ALA H H 7.268 0.01 1 378 39 39 ALA HA H 4.781 0.01 1 379 39 39 ALA HB H 1.213 0.01 1 380 39 39 ALA C C 174.665 0.2 1 381 39 39 ALA CA C 50.332 0.2 1 382 39 39 ALA CB C 18.091 0.2 1 383 39 39 ALA N N 120.975 0.2 1 384 40 40 LYS H H 9.234 0.01 1 385 40 40 LYS HA H 4.526 0.01 1 386 40 40 LYS HB2 H 2.006 0.01 2 387 40 40 LYS HB3 H 1.797 0.01 2 388 40 40 LYS HG2 H 1.501 0.01 2 389 40 40 LYS HG3 H 1.446 0.01 2 390 40 40 LYS C C 176.598 0.2 1 391 40 40 LYS CA C 56.842 0.2 1 392 40 40 LYS CB C 34.499 0.2 1 393 40 40 LYS CG C 24.959 0.2 1 394 40 40 LYS N N 123.642 0.2 1 395 41 41 THR H H 7.751 0.01 1 396 41 41 THR HA H 4.740 0.01 1 397 41 41 THR HB H 4.552 0.01 1 398 41 41 THR HG2 H 1.287 0.01 1 399 41 41 THR C C 174.635 0.2 1 400 41 41 THR CA C 59.077 0.2 1 401 41 41 THR CB C 71.995 0.2 1 402 41 41 THR CG2 C 21.736 0.2 1 403 41 41 THR N N 108.883 0.2 1 404 42 42 THR H H 9.364 0.01 1 405 42 42 THR HA H 4.150 0.01 1 406 42 42 THR HB H 4.299 0.01 1 407 42 42 THR HG2 H 1.375 0.01 1 408 42 42 THR CA C 69.044 0.2 1 409 42 42 THR CB C 66.846 0.2 1 410 42 42 THR CG2 C 23.500 0.2 1 411 42 42 THR N N 119.043 0.2 1 412 43 43 PRO HA H 4.308 0.01 1 413 43 43 PRO HB2 H 2.354 0.01 2 414 43 43 PRO HB3 H 1.818 0.01 2 415 43 43 PRO HG2 H 2.101 0.01 2 416 43 43 PRO HG3 H 1.989 0.01 2 417 43 43 PRO HD2 H 3.897 0.01 2 418 43 43 PRO HD3 H 3.751 0.01 2 419 43 43 PRO C C 179.702 0.2 1 420 43 43 PRO CA C 65.977 0.2 1 421 43 43 PRO CB C 30.895 0.2 1 422 43 43 PRO CG C 28.336 0.2 1 423 43 43 PRO CD C 49.657 0.2 1 424 44 44 ASP H H 7.224 0.01 1 425 44 44 ASP HA H 4.505 0.01 1 426 44 44 ASP HB2 H 2.782 0.01 2 427 44 44 ASP HB3 H 2.514 0.01 2 428 44 44 ASP C C 178.138 0.2 1 429 44 44 ASP CA C 57.418 0.2 1 430 44 44 ASP CB C 40.149 0.2 1 431 44 44 ASP N N 116.883 0.2 1 432 45 45 ARG H H 8.505 0.01 1 433 45 45 ARG HA H 3.908 0.01 1 434 45 45 ARG HB2 H 1.945 0.01 2 435 45 45 ARG HB3 H 1.616 0.01 2 436 45 45 ARG HD2 H 3.221 0.01 2 437 45 45 ARG HD3 H 3.069 0.01 2 438 45 45 ARG HE H 7.429 0.01 1 439 45 45 ARG HH11 H 6.935 0.01 2 440 45 45 ARG HH21 H 6.935 0.01 2 441 45 45 ARG C C 178.140 0.2 1 442 45 45 ARG CA C 60.471 0.2 1 443 45 45 ARG CB C 31.276 0.2 1 444 45 45 ARG CD C 44.305 0.2 1 445 45 45 ARG CZ C 159.392 0.2 1 446 45 45 ARG N N 121.365 0.2 1 447 45 45 ARG NE N 83.781 0.2 1 448 45 45 ARG NH1 N 70.770 0.2 1 449 46 46 GLN H H 8.470 0.01 1 450 46 46 GLN HA H 3.635 0.01 1 451 46 46 GLN HB2 H 1.861 0.01 2 452 46 46 GLN HB3 H 1.861 0.01 2 453 46 46 GLN HG2 H 2.698 0.01 2 454 46 46 GLN HE21 H 7.665 0.01 2 455 46 46 GLN HE22 H 6.574 0.01 2 456 46 46 GLN C C 178.823 0.2 1 457 46 46 GLN CA C 60.543 0.2 1 458 46 46 GLN CB C 26.740 0.2 1 459 46 46 GLN CG C 33.929 0.2 1 460 46 46 GLN CD C 180.296 0.2 1 461 46 46 GLN N N 118.259 0.2 1 462 46 46 GLN NE2 N 111.029 0.2 1 463 47 47 THR H H 8.429 0.01 1 464 47 47 THR HA H 3.952 0.01 1 465 47 47 THR HB H 4.238 0.01 1 466 47 47 THR HG2 H 1.199 0.01 1 467 47 47 THR C C 176.274 0.2 1 468 47 47 THR CA C 66.927 0.2 1 469 47 47 THR CB C 68.477 0.2 1 470 47 47 THR CG2 C 22.298 0.2 1 471 47 47 THR N N 117.631 0.2 1 472 48 48 ALA H H 8.622 0.01 1 473 48 48 ALA HA H 3.671 0.01 1 474 48 48 ALA HB H 1.435 0.01 1 475 48 48 ALA C C 177.695 0.2 1 476 48 48 ALA CA C 56.541 0.2 1 477 48 48 ALA CB C 17.717 0.2 1 478 48 48 ALA N N 124.578 0.2 1 479 49 49 CYS H H 7.985 0.01 1 480 49 49 CYS HA H 3.601 0.01 1 481 49 49 CYS HB2 H 3.154 0.01 2 482 49 49 CYS HB3 H 1.647 0.01 2 483 49 49 CYS C C 176.360 0.2 1 484 49 49 CYS CA C 60.269 0.2 1 485 49 49 CYS CB C 33.975 0.2 1 486 49 49 CYS N N 116.446 0.2 1 487 50 50 ASN H H 8.351 0.01 1 488 50 50 ASN HA H 4.448 0.01 1 489 50 50 ASN HB2 H 2.883 0.01 2 490 50 50 ASN HB3 H 2.700 0.01 2 491 50 50 ASN HD21 H 7.397 0.01 2 492 50 50 ASN HD22 H 7.232 0.01 2 493 50 50 ASN C C 178.707 0.2 1 494 50 50 ASN CA C 56.837 0.2 1 495 50 50 ASN CB C 39.170 0.2 1 496 50 50 ASN CG C 175.998 0.2 1 497 50 50 ASN N N 120.744 0.2 1 498 50 50 ASN ND2 N 116.754 0.2 1 499 51 51 CYS H H 9.106 0.01 1 500 51 51 CYS HA H 4.392 0.01 1 501 51 51 CYS HB2 H 3.309 0.01 2 502 51 51 CYS HB3 H 3.073 0.01 2 503 51 51 CYS C C 177.813 0.2 1 504 51 51 CYS CA C 57.383 0.2 1 505 51 51 CYS CB C 36.042 0.2 1 506 51 51 CYS N N 121.033 0.2 1 507 52 52 LEU H H 8.280 0.01 1 508 52 52 LEU HA H 3.871 0.01 1 509 52 52 LEU HB2 H 2.128 0.01 2 510 52 52 LEU HB3 H 1.309 0.01 2 511 52 52 LEU HD1 H 1.061 0.01 2 512 52 52 LEU HD2 H 0.770 0.01 2 513 52 52 LEU C C 177.961 0.2 1 514 52 52 LEU CA C 58.212 0.2 1 515 52 52 LEU CB C 41.521 0.2 1 516 52 52 LEU CD1 C 26.527 0.2 2 517 52 52 LEU CD2 C 23.317 0.2 2 518 52 52 LEU N N 122.090 0.2 1 519 53 53 LYS H H 8.247 0.01 1 520 53 53 LYS HA H 3.942 0.01 1 521 53 53 LYS HB2 H 2.090 0.01 2 522 53 53 LYS HB3 H 2.006 0.01 2 523 53 53 LYS HG2 H 1.887 0.01 2 524 53 53 LYS HG3 H 1.432 0.01 2 525 53 53 LYS HD2 H 2.028 0.01 2 526 53 53 LYS HD3 H 2.028 0.01 2 527 53 53 LYS HE2 H 3.124 0.01 2 528 53 53 LYS HE3 H 3.124 0.01 2 529 53 53 LYS C C 178.893 0.2 1 530 53 53 LYS CA C 61.237 0.2 1 531 53 53 LYS CB C 32.584 0.2 1 532 53 53 LYS CG C 25.651 0.2 1 533 53 53 LYS CD C 30.449 0.2 1 534 53 53 LYS CE C 42.348 0.2 1 535 53 53 LYS N N 120.223 0.2 1 536 54 54 THR H H 8.263 0.01 1 537 54 54 THR HA H 3.879 0.01 1 538 54 54 THR HB H 4.401 0.01 1 539 54 54 THR HG2 H 1.274 0.01 1 540 54 54 THR C C 177.169 0.2 1 541 54 54 THR CA C 66.963 0.2 1 542 54 54 THR CB C 68.612 0.2 1 543 54 54 THR CG2 C 22.072 0.2 1 544 54 54 THR N N 115.295 0.2 1 545 55 55 THR H H 8.151 0.01 1 546 55 55 THR HA H 3.878 0.01 1 547 55 55 THR HB H 4.190 0.01 1 548 55 55 THR HG2 H 0.988 0.01 1 549 55 55 THR C C 176.838 0.2 1 550 55 55 THR CA C 67.346 0.2 1 551 55 55 THR CB C 68.596 0.2 1 552 55 55 THR CG2 C 21.207 0.2 1 553 55 55 THR N N 120.968 0.2 1 554 56 56 PHE H H 8.512 0.01 1 555 56 56 PHE HA H 4.330 0.01 1 556 56 56 PHE HB2 H 3.189 0.01 2 557 56 56 PHE HB3 H 3.041 0.01 2 558 56 56 PHE HD1 H 7.210 0.01 3 559 56 56 PHE HD2 H 7.210 0.01 3 560 56 56 PHE HE1 H 7.034 0.01 3 561 56 56 PHE HE2 H 7.034 0.01 3 562 56 56 PHE HZ H 6.979 0.01 1 563 56 56 PHE C C 177.724 0.2 1 564 56 56 PHE CA C 60.827 0.2 1 565 56 56 PHE CB C 38.316 0.2 1 566 56 56 PHE CD1 C 130.964 0.2 3 567 56 56 PHE CE1 C 130.725 0.2 3 568 56 56 PHE CZ C 128.875 0.2 1 569 56 56 PHE N N 122.051 0.2 1 570 57 57 LYS H H 8.408 0.01 1 571 57 57 LYS HA H 4.045 0.01 1 572 57 57 LYS HB2 H 1.985 0.01 2 573 57 57 LYS HB3 H 1.985 0.01 2 574 57 57 LYS HG2 H 1.663 0.01 2 575 57 57 LYS HG3 H 1.559 0.01 2 576 57 57 LYS HE2 H 2.976 0.01 2 577 57 57 LYS HE3 H 2.976 0.01 2 578 57 57 LYS C C 177.822 0.2 1 579 57 57 LYS CA C 58.827 0.2 1 580 57 57 LYS CB C 32.642 0.2 1 581 57 57 LYS CG C 25.657 0.2 1 582 57 57 LYS CE C 42.181 0.2 1 583 57 57 LYS N N 118.838 0.2 1 584 58 58 SER H H 7.714 0.01 1 585 58 58 SER HA H 4.379 0.01 1 586 58 58 SER HB2 H 3.983 0.01 2 587 58 58 SER HB3 H 3.983 0.01 2 588 58 58 SER C C 173.447 0.2 1 589 58 58 SER CA C 59.579 0.2 1 590 58 58 SER CB C 64.080 0.2 1 591 58 58 SER N N 111.506 0.2 1 592 59 59 ASN H H 7.299 0.01 1 593 59 59 ASN HA H 4.744 0.01 1 594 59 59 ASN HB2 H 2.075 0.01 2 595 59 59 ASN HB3 H 1.908 0.01 2 596 59 59 ASN HD21 H 7.449 0.01 2 597 59 59 ASN HD22 H 7.068 0.01 2 598 59 59 ASN C C 174.494 0.2 1 599 59 59 ASN CA C 52.471 0.2 1 600 59 59 ASN CB C 39.191 0.2 1 601 59 59 ASN CG C 177.733 0.2 1 602 59 59 ASN N N 120.252 0.2 1 603 59 59 ASN ND2 N 113.412 0.2 1 604 60 60 LYS H H 8.716 0.01 1 605 60 60 LYS HA H 4.268 0.01 1 606 60 60 LYS HB2 H 1.918 0.01 2 607 60 60 LYS HB3 H 1.835 0.01 2 608 60 60 LYS HG2 H 1.481 0.01 2 609 60 60 LYS HG3 H 1.481 0.01 2 610 60 60 LYS HE2 H 3.030 0.01 2 611 60 60 LYS HE3 H 3.030 0.01 2 612 60 60 LYS C C 176.654 0.2 1 613 60 60 LYS CA C 57.799 0.2 1 614 60 60 LYS CB C 31.806 0.2 1 615 60 60 LYS CG C 24.521 0.2 1 616 60 60 LYS N N 123.399 0.2 1 617 61 61 ASP H H 8.588 0.01 1 618 61 61 ASP HA H 4.563 0.01 1 619 61 61 ASP HB2 H 2.648 0.01 2 620 61 61 ASP HB3 H 2.546 0.01 2 621 61 61 ASP C C 176.719 0.2 1 622 61 61 ASP CA C 54.810 0.2 1 623 61 61 ASP CB C 40.360 0.2 1 624 61 61 ASP N N 117.059 0.2 1 625 62 62 PHE H H 7.419 0.01 1 626 62 62 PHE HA H 4.538 0.01 1 627 62 62 PHE HB2 H 3.027 0.01 2 628 62 62 PHE HB3 H 2.706 0.01 2 629 62 62 PHE HD1 H 6.823 0.01 3 630 62 62 PHE HD2 H 6.823 0.01 3 631 62 62 PHE HE1 H 7.068 0.01 3 632 62 62 PHE HE2 H 7.068 0.01 3 633 62 62 PHE HZ H 7.081 0.01 1 634 62 62 PHE C C 175.760 0.2 1 635 62 62 PHE CA C 55.737 0.2 1 636 62 62 PHE CB C 37.950 0.2 1 637 62 62 PHE CD1 C 130.444 0.2 3 638 62 62 PHE CE1 C 130.841 0.2 3 639 62 62 PHE CZ C 129.824 0.2 1 640 62 62 PHE N N 119.054 0.2 1 641 63 63 LYS H H 8.534 0.01 1 642 63 63 LYS HA H 4.690 0.01 1 643 63 63 LYS HB2 H 2.158 0.01 2 644 63 63 LYS HG2 H 1.653 0.01 2 645 63 63 LYS HG3 H 1.466 0.01 2 646 63 63 LYS HE2 H 3.071 0.01 2 647 63 63 LYS HE3 H 3.071 0.01 2 648 63 63 LYS C C 177.938 0.2 1 649 63 63 LYS CA C 54.150 0.2 1 650 63 63 LYS CB C 31.851 0.2 1 651 63 63 LYS CG C 24.177 0.2 1 652 63 63 LYS CE C 42.541 0.2 1 653 63 63 LYS N N 121.955 0.2 1 654 64 64 SER H H 9.220 0.01 1 655 64 64 SER HA H 4.057 0.01 1 656 64 64 SER HB2 H 3.966 0.01 2 657 64 64 SER HB3 H 3.966 0.01 2 658 64 64 SER C C 177.119 0.2 1 659 64 64 SER CA C 61.880 0.2 1 660 64 64 SER CB C 62.616 0.2 1 661 64 64 SER N N 121.978 0.2 1 662 65 65 ASP H H 9.145 0.01 1 663 65 65 ASP HA H 4.383 0.01 1 664 65 65 ASP HB2 H 2.465 0.01 2 665 65 65 ASP HB3 H 2.252 0.01 2 666 65 65 ASP C C 178.995 0.2 1 667 65 65 ASP CA C 56.889 0.2 1 668 65 65 ASP CB C 39.423 0.2 1 669 65 65 ASP N N 120.536 0.2 1 670 66 66 PHE H H 6.779 0.01 1 671 66 66 PHE HA H 4.861 0.01 1 672 66 66 PHE HB2 H 2.948 0.01 2 673 66 66 PHE HB3 H 2.861 0.01 2 674 66 66 PHE HD1 H 7.050 0.01 3 675 66 66 PHE HD2 H 7.050 0.01 3 676 66 66 PHE HE1 H 7.147 0.01 3 677 66 66 PHE HE2 H 7.147 0.01 3 678 66 66 PHE HZ H 7.158 0.01 1 679 66 66 PHE C C 179.260 0.2 1 680 66 66 PHE CA C 56.882 0.2 1 681 66 66 PHE CB C 36.482 0.2 1 682 66 66 PHE CD1 C 130.870 0.2 3 683 66 66 PHE CE1 C 130.989 0.2 3 684 66 66 PHE CZ C 129.244 0.2 1 685 66 66 PHE N N 118.678 0.2 1 686 67 67 ALA H H 8.072 0.01 1 687 67 67 ALA HA H 4.023 0.01 1 688 67 67 ALA HB H 1.407 0.01 1 689 67 67 ALA C C 178.645 0.2 1 690 67 67 ALA CA C 55.501 0.2 1 691 67 67 ALA CB C 18.980 0.2 1 692 67 67 ALA N N 123.092 0.2 1 693 68 68 ALA H H 8.173 0.01 1 694 68 68 ALA HA H 4.302 0.01 1 695 68 68 ALA HB H 1.571 0.01 1 696 68 68 ALA C C 180.122 0.2 1 697 68 68 ALA CA C 54.694 0.2 1 698 68 68 ALA CB C 18.506 0.2 1 699 68 68 ALA N N 116.986 0.2 1 700 69 69 SER H H 7.571 0.01 1 701 69 69 SER HA H 4.605 0.01 1 702 69 69 SER HB2 H 4.200 0.01 2 703 69 69 SER HB3 H 4.061 0.01 2 704 69 69 SER C C 174.284 0.2 1 705 69 69 SER CA C 58.490 0.2 1 706 69 69 SER CB C 64.506 0.2 1 707 69 69 SER N N 108.870 0.2 1 708 70 70 LEU H H 7.462 0.01 1 709 70 70 LEU HA H 4.214 0.01 1 710 70 70 LEU HB2 H 2.129 0.01 2 711 70 70 LEU HB3 H 2.032 0.01 2 712 70 70 LEU HD1 H 0.935 0.01 2 713 70 70 LEU HD2 H 0.879 0.01 2 714 70 70 LEU C C 173.888 0.2 1 715 70 70 LEU CA C 59.828 0.2 1 716 70 70 LEU CB C 39.887 0.2 1 717 70 70 LEU CD1 C 24.995 0.2 2 718 70 70 LEU CD2 C 22.803 0.2 2 719 70 70 LEU N N 122.601 0.2 1 720 71 71 PRO HA H 3.955 0.01 1 721 71 71 PRO HB2 H 2.355 0.01 2 722 71 71 PRO HB3 H 2.140 0.01 2 723 71 71 PRO HG2 H 2.476 0.01 2 724 71 71 PRO HG3 H 1.519 0.01 2 725 71 71 PRO HD2 H 3.839 0.01 2 726 71 71 PRO HD3 H 3.789 0.01 2 727 71 71 PRO C C 179.187 0.2 1 728 71 71 PRO CA C 67.625 0.2 1 729 71 71 PRO CB C 31.240 0.2 1 730 71 71 PRO CG C 29.477 0.2 1 731 71 71 PRO CD C 49.691 0.2 1 732 72 72 SER H H 8.187 0.01 1 733 72 72 SER HA H 4.231 0.01 1 734 72 72 SER HB2 H 3.982 0.01 2 735 72 72 SER HB3 H 3.982 0.01 2 736 72 72 SER C C 179.010 0.2 1 737 72 72 SER CA C 61.550 0.2 1 738 72 72 SER CB C 62.421 0.2 1 739 72 72 SER N N 112.776 0.2 1 740 73 73 LYS H H 8.495 0.01 1 741 73 73 LYS HA H 4.110 0.01 1 742 73 73 LYS HB2 H 1.954 0.01 2 743 73 73 LYS HB3 H 1.779 0.01 2 744 73 73 LYS HG2 H 1.658 0.01 2 745 73 73 LYS HG3 H 1.522 0.01 2 746 73 73 LYS C C 179.103 0.2 1 747 73 73 LYS CA C 59.216 0.2 1 748 73 73 LYS CB C 32.625 0.2 1 749 73 73 LYS CG C 26.211 0.2 1 750 73 73 LYS N N 123.321 0.2 1 751 74 74 CYS H H 7.787 0.01 1 752 74 74 CYS HA H 4.877 0.01 1 753 74 74 CYS HB2 H 3.065 0.01 2 754 74 74 CYS HB3 H 2.582 0.01 2 755 74 74 CYS C C 174.969 0.2 1 756 74 74 CYS CA C 52.873 0.2 1 757 74 74 CYS CB C 36.103 0.2 1 758 74 74 CYS N N 114.101 0.2 1 759 75 75 GLY H H 8.036 0.01 1 760 75 75 GLY HA2 H 3.940 0.01 2 761 75 75 GLY HA3 H 3.940 0.01 2 762 75 75 GLY C C 174.316 0.2 1 763 75 75 GLY CA C 46.820 0.2 1 764 75 75 GLY N N 111.746 0.2 1 765 76 76 VAL H H 8.111 0.01 1 766 76 76 VAL HA H 4.142 0.01 1 767 76 76 VAL HB H 1.609 0.01 1 768 76 76 VAL HG1 H 0.825 0.01 2 769 76 76 VAL HG2 H 0.738 0.01 2 770 76 76 VAL C C 174.459 0.2 1 771 76 76 VAL CA C 60.418 0.2 1 772 76 76 VAL CB C 34.680 0.2 1 773 76 76 VAL CG1 C 21.777 0.2 2 774 76 76 VAL CG2 C 20.907 0.2 2 775 76 76 VAL N N 118.927 0.2 1 776 77 77 ASN H H 8.932 0.01 1 777 77 77 ASN HA H 4.742 0.01 1 778 77 77 ASN HB2 H 2.752 0.01 2 779 77 77 ASN HB3 H 2.553 0.01 2 780 77 77 ASN HD21 H 7.594 0.01 2 781 77 77 ASN HD22 H 6.846 0.01 2 782 77 77 ASN C C 174.524 0.2 1 783 77 77 ASN CA C 51.773 0.2 1 784 77 77 ASN CB C 37.217 0.2 1 785 77 77 ASN CG C 177.096 0.2 1 786 77 77 ASN N N 127.153 0.2 1 787 77 77 ASN ND2 N 112.020 0.2 1 788 78 78 ILE H H 7.487 0.01 1 789 78 78 ILE HA H 4.353 0.01 1 790 78 78 ILE HB H 1.483 0.01 1 791 78 78 ILE HG12 H 1.276 0.01 2 792 78 78 ILE HG13 H 0.900 0.01 2 793 78 78 ILE HG2 H 0.339 0.01 1 794 78 78 ILE HD1 H 0.657 0.01 1 795 78 78 ILE CA C 57.485 0.2 1 796 78 78 ILE CB C 38.526 0.2 1 797 78 78 ILE CG1 C 27.704 0.2 1 798 78 78 ILE CG2 C 15.838 0.2 1 799 78 78 ILE CD1 C 11.613 0.2 1 800 78 78 ILE N N 124.994 0.2 1 801 79 79 PRO HA H 4.590 0.01 1 802 79 79 PRO HB2 H 2.359 0.01 2 803 79 79 PRO HB3 H 2.176 0.01 2 804 79 79 PRO HG2 H 2.091 0.01 2 805 79 79 PRO HG3 H 1.835 0.01 2 806 79 79 PRO HD2 H 4.010 0.01 2 807 79 79 PRO HD3 H 3.399 0.01 2 808 79 79 PRO C C 174.029 0.2 1 809 79 79 PRO CA C 64.452 0.2 1 810 79 79 PRO CB C 30.652 0.2 1 811 79 79 PRO CG C 27.163 0.2 1 812 79 79 PRO CD C 51.358 0.2 1 813 80 80 TYR H H 6.672 0.01 1 814 80 80 TYR HA H 4.758 0.01 1 815 80 80 TYR HB2 H 3.122 0.01 2 816 80 80 TYR HB3 H 2.823 0.01 2 817 80 80 TYR HD1 H 6.578 0.01 3 818 80 80 TYR HD2 H 6.578 0.01 3 819 80 80 TYR HE1 H 6.526 0.01 3 820 80 80 TYR HE2 H 6.526 0.01 3 821 80 80 TYR C C 173.199 0.2 1 822 80 80 TYR CA C 54.447 0.2 1 823 80 80 TYR CB C 40.123 0.2 1 824 80 80 TYR CD1 C 133.492 0.2 3 825 80 80 TYR CE1 C 117.481 0.2 3 826 80 80 TYR N N 115.925 0.2 1 827 81 81 LYS H H 8.488 0.01 1 828 81 81 LYS HA H 4.281 0.01 1 829 81 81 LYS HB2 H 1.730 0.01 2 830 81 81 LYS HB3 H 1.681 0.01 2 831 81 81 LYS HG2 H 1.515 0.01 2 832 81 81 LYS HG3 H 1.185 0.01 2 833 81 81 LYS C C 177.441 0.2 1 834 81 81 LYS CA C 55.515 0.2 1 835 81 81 LYS CB C 33.108 0.2 1 836 81 81 LYS CG C 25.248 0.2 1 837 81 81 LYS N N 119.642 0.2 1 838 82 82 ILE H H 9.341 0.01 1 839 82 82 ILE HA H 4.172 0.01 1 840 82 82 ILE HB H 1.941 0.01 1 841 82 82 ILE HG13 H 1.049 0.01 2 842 82 82 ILE HG2 H 0.777 0.01 1 843 82 82 ILE HD1 H 0.879 0.01 1 844 82 82 ILE C C 173.746 0.2 1 845 82 82 ILE CA C 61.701 0.2 1 846 82 82 ILE CB C 35.681 0.2 1 847 82 82 ILE CG1 C 26.657 0.2 1 848 82 82 ILE CG2 C 18.042 0.2 1 849 82 82 ILE CD1 C 12.474 0.2 1 850 82 82 ILE N N 130.020 0.2 1 851 83 83 SER H H 7.454 0.01 1 852 83 83 SER HA H 4.327 0.01 1 853 83 83 SER HB2 H 3.913 0.01 2 854 83 83 SER HB3 H 3.559 0.01 2 855 83 83 SER C C 173.986 0.2 1 856 83 83 SER CA C 56.755 0.2 1 857 83 83 SER CB C 64.338 0.2 1 858 83 83 SER N N 118.968 0.2 1 859 84 84 LEU H H 8.796 0.01 1 860 84 84 LEU HA H 4.176 0.01 1 861 84 84 LEU HB2 H 1.742 0.01 2 862 84 84 LEU HB3 H 1.634 0.01 2 863 84 84 LEU HD1 H 0.984 0.01 2 864 84 84 LEU HD2 H 0.954 0.01 2 865 84 84 LEU C C 177.322 0.2 1 866 84 84 LEU CA C 57.196 0.2 1 867 84 84 LEU CB C 41.764 0.2 1 868 84 84 LEU CD1 C 25.140 0.2 2 869 84 84 LEU CD2 C 24.718 0.2 2 870 84 84 LEU N N 123.909 0.2 1 871 85 85 GLU H H 8.391 0.01 1 872 85 85 GLU HA H 4.290 0.01 1 873 85 85 GLU HB2 H 2.136 0.01 2 874 85 85 GLU HB3 H 1.855 0.01 2 875 85 85 GLU HG2 H 2.209 0.01 2 876 85 85 GLU HG3 H 2.209 0.01 2 877 85 85 GLU C C 176.962 0.2 1 878 85 85 GLU CA C 56.169 0.2 1 879 85 85 GLU CB C 29.863 0.2 1 880 85 85 GLU CG C 36.297 0.2 1 881 85 85 GLU N N 115.027 0.2 1 882 86 86 THR H H 7.207 0.01 1 883 86 86 THR HA H 3.779 0.01 1 884 86 86 THR HB H 4.121 0.01 1 885 86 86 THR HG2 H 1.197 0.01 1 886 86 86 THR C C 172.464 0.2 1 887 86 86 THR CA C 64.055 0.2 1 888 86 86 THR CB C 70.109 0.2 1 889 86 86 THR CG2 C 22.446 0.2 1 890 86 86 THR N N 118.784 0.2 1 891 87 87 ASP H H 8.935 0.01 1 892 87 87 ASP HA H 4.783 0.01 1 893 87 87 ASP HB2 H 2.906 0.01 2 894 87 87 ASP HB3 H 2.610 0.01 2 895 87 87 ASP C C 177.779 0.2 1 896 87 87 ASP CA C 52.093 0.2 1 897 87 87 ASP CB C 39.301 0.2 1 898 87 87 ASP N N 125.445 0.2 1 899 88 88 CYS H H 8.779 0.01 1 900 88 88 CYS HA H 4.365 0.01 1 901 88 88 CYS HB2 H 3.063 0.01 2 902 88 88 CYS HB3 H 2.817 0.01 2 903 88 88 CYS C C 175.604 0.2 1 904 88 88 CYS CA C 55.604 0.2 1 905 88 88 CYS CB C 36.585 0.2 1 906 88 88 CYS N N 126.470 0.2 1 907 89 89 ASN H H 8.361 0.01 1 908 89 89 ASN HA H 4.432 0.01 1 909 89 89 ASN HB2 H 2.970 0.01 2 910 89 89 ASN HB3 H 2.835 0.01 2 911 89 89 ASN HD21 H 7.998 0.01 2 912 89 89 ASN HD22 H 7.125 0.01 2 913 89 89 ASN C C 176.168 0.2 1 914 89 89 ASN CA C 54.921 0.2 1 915 89 89 ASN CB C 37.984 0.2 1 916 89 89 ASN CG C 177.099 0.2 1 917 89 89 ASN N N 115.137 0.2 1 918 89 89 ASN ND2 N 115.274 0.2 1 919 90 90 LYS H H 7.203 0.01 1 920 90 90 LYS HA H 4.362 0.01 1 921 90 90 LYS HB2 H 2.111 0.01 2 922 90 90 LYS HB3 H 1.710 0.01 2 923 90 90 LYS HG2 H 1.430 0.01 2 924 90 90 LYS HG3 H 1.304 0.01 2 925 90 90 LYS C C 176.250 0.2 1 926 90 90 LYS CA C 55.324 0.2 1 927 90 90 LYS CB C 33.021 0.2 1 928 90 90 LYS CG C 25.330 0.2 1 929 90 90 LYS N N 116.065 0.2 1 930 91 91 VAL H H 6.979 0.01 1 931 91 91 VAL HA H 3.899 0.01 1 932 91 91 VAL HB H 2.170 0.01 1 933 91 91 VAL HG1 H 1.125 0.01 2 934 91 91 VAL HG2 H 0.945 0.01 2 935 91 91 VAL C C 174.495 0.2 1 936 91 91 VAL CA C 63.344 0.2 1 937 91 91 VAL CB C 32.829 0.2 1 938 91 91 VAL CG1 C 24.217 0.2 2 939 91 91 VAL CG2 C 21.946 0.2 2 940 91 91 VAL N N 122.058 0.2 1 941 92 92 LYS H H 8.165 0.01 1 942 92 92 LYS HA H 4.445 0.01 1 943 92 92 LYS HB2 H 1.841 0.01 2 944 92 92 LYS HB3 H 1.694 0.01 2 945 92 92 LYS HG2 H 1.472 0.01 2 946 92 92 LYS HG3 H 1.404 0.01 2 947 92 92 LYS C C 181.603 0.2 1 948 92 92 LYS CA C 57.390 0.2 1 949 92 92 LYS CB C 34.907 0.2 1 950 92 92 LYS CG C 25.174 0.2 1 951 92 92 LYS N N 131.366 0.2 1 stop_ save_ save_assigned_chem_shift_list_298K _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Artv3 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET CA C 55.026 0.3 1 2 1 1 MET CB C 32.746 0.3 1 3 2 2 ILE H H 8.444 0.01 1 4 2 2 ILE CA C 60.462 0.3 1 5 2 2 ILE CB C 39.819 0.3 1 6 2 2 ILE N N 125.110 0.2 1 7 3 3 LYS H H 8.679 0.01 1 8 3 3 LYS CA C 54.240 0.3 1 9 3 3 LYS CB C 34.979 0.3 1 10 3 3 LYS N N 123.495 0.2 1 11 4 4 CYS H H 9.321 0.01 1 12 4 4 CYS N N 119.909 0.2 1 13 5 5 SER CA C 61.387 0.3 1 14 6 6 ASP H H 7.158 0.01 1 15 6 6 ASP CA C 57.338 0.3 1 16 6 6 ASP CB C 41.365 0.3 1 17 6 6 ASP N N 121.974 0.2 1 18 7 7 VAL H H 7.411 0.01 1 19 7 7 VAL CA C 66.753 0.3 1 20 7 7 VAL CB C 31.276 0.3 1 21 7 7 VAL N N 119.589 0.2 1 22 8 8 SER H H 8.579 0.01 1 23 8 8 SER CA C 62.380 0.3 1 24 8 8 SER N N 113.739 0.2 1 25 9 9 ASN H H 7.759 0.01 1 26 9 9 ASN HD21 H 7.740 0.01 2 27 9 9 ASN HD22 H 6.982 0.01 2 28 9 9 ASN CA C 56.364 0.3 1 29 9 9 ASN CB C 38.492 0.3 1 30 9 9 ASN N N 118.988 0.2 1 31 9 9 ASN ND2 N 112.766 0.2 1 32 10 10 LYS H H 7.933 0.01 1 33 10 10 LYS CA C 58.612 0.3 1 34 10 10 LYS CB C 32.318 0.3 1 35 10 10 LYS N N 118.737 0.2 1 36 11 11 ILE H H 7.504 0.01 1 37 11 11 ILE CA C 60.207 0.3 1 38 11 11 ILE CB C 39.437 0.3 1 39 11 11 ILE N N 108.643 0.2 1 40 12 12 SER H H 7.525 0.01 1 41 12 12 SER CA C 62.135 0.3 1 42 12 12 SER CB C 63.010 0.3 1 43 12 12 SER N N 119.480 0.2 1 44 13 13 ALA H H 8.788 0.01 1 45 13 13 ALA CA C 53.307 0.3 1 46 13 13 ALA CB C 18.282 0.3 1 47 13 13 ALA N N 122.241 0.2 1 48 14 14 CYS H H 8.607 0.01 1 49 14 14 CYS CA C 53.951 0.3 1 50 14 14 CYS CB C 42.913 0.3 1 51 14 14 CYS N N 114.845 0.2 1 52 15 15 LEU H H 7.416 0.01 1 53 15 15 LEU CA C 59.681 0.3 1 54 15 15 LEU CB C 40.834 0.3 1 55 15 15 LEU N N 118.776 0.2 1 56 16 16 SER H H 8.358 0.01 1 57 16 16 SER CA C 62.236 0.3 1 58 16 16 SER N N 113.442 0.2 1 59 17 17 TYR H H 8.348 0.01 1 60 17 17 TYR CA C 60.968 0.3 1 61 17 17 TYR CB C 37.709 0.3 1 62 17 17 TYR N N 125.236 0.2 1 63 18 18 LEU H H 8.101 0.01 1 64 18 18 LEU CA C 57.511 0.3 1 65 18 18 LEU CB C 41.917 0.3 1 66 18 18 LEU N N 116.898 0.2 1 67 19 19 LYS H H 7.338 0.01 1 68 19 19 LYS CA C 57.933 0.3 1 69 19 19 LYS CB C 34.836 0.3 1 70 19 19 LYS N N 114.548 0.2 1 71 20 20 GLN H H 8.231 0.01 1 72 20 20 GLN HE21 H 7.410 0.01 2 73 20 20 GLN HE22 H 6.848 0.01 2 74 20 20 GLN CA C 55.764 0.3 1 75 20 20 GLN CB C 31.392 0.3 1 76 20 20 GLN N N 114.969 0.2 1 77 20 20 GLN NE2 N 111.197 0.2 1 78 21 21 GLY H H 8.566 0.01 1 79 21 21 GLY CA C 44.512 0.3 1 80 21 21 GLY N N 116.230 0.2 1 81 22 22 GLY H H 8.174 0.01 1 82 22 22 GLY CA C 44.383 0.3 1 83 22 22 GLY N N 109.445 0.2 1 84 23 23 GLU H H 8.457 0.01 1 85 23 23 GLU CA C 55.912 0.3 1 86 23 23 GLU CB C 30.212 0.3 1 87 23 23 GLU N N 122.293 0.2 1 88 24 24 VAL H H 8.627 0.01 1 89 24 24 VAL CA C 60.148 0.3 1 90 24 24 VAL CB C 32.185 0.3 1 91 24 24 VAL N N 126.201 0.2 1 92 25 25 PRO CA C 62.741 0.3 1 93 25 25 PRO CB C 32.520 0.3 1 94 26 26 ALA H H 9.075 0.01 1 95 26 26 ALA CA C 56.052 0.3 1 96 26 26 ALA CB C 17.937 0.3 1 97 26 26 ALA N N 128.737 0.2 1 98 27 27 ASP H H 9.072 0.01 1 99 27 27 ASP CA C 56.688 0.3 1 100 27 27 ASP CB C 39.456 0.3 1 101 27 27 ASP N N 114.390 0.2 1 102 28 28 CYS H H 7.590 0.01 1 103 28 28 CYS CA C 58.424 0.3 1 104 28 28 CYS CB C 37.680 0.3 1 105 28 28 CYS N N 118.171 0.2 1 106 29 29 CYS H H 7.298 0.01 1 107 29 29 CYS CA C 54.969 0.3 1 108 29 29 CYS CB C 32.210 0.3 1 109 29 29 CYS N N 116.991 0.2 1 110 30 30 THR H H 8.810 0.01 1 111 30 30 THR CA C 66.836 0.3 1 112 30 30 THR CB C 68.484 0.3 1 113 30 30 THR N N 118.758 0.2 1 114 31 31 GLY H H 7.740 0.01 1 115 31 31 GLY CA C 47.790 0.3 1 116 31 31 GLY N N 113.168 0.2 1 117 32 32 VAL H H 8.540 0.01 1 118 32 32 VAL CA C 67.050 0.3 1 119 32 32 VAL CB C 31.775 0.3 1 120 32 32 VAL N N 122.489 0.2 1 121 33 33 LYS H H 8.404 0.01 1 122 33 33 LYS CA C 60.266 0.3 1 123 33 33 LYS CB C 32.306 0.3 1 124 33 33 LYS N N 120.601 0.2 1 125 34 34 GLY H H 8.251 0.01 1 126 34 34 GLY CA C 47.125 0.3 1 127 34 34 GLY N N 106.930 0.2 1 128 35 35 LEU H H 8.620 0.01 1 129 35 35 LEU CA C 57.983 0.3 1 130 35 35 LEU CB C 41.858 0.3 1 131 35 35 LEU N N 124.515 0.2 1 132 36 36 ASN H H 7.838 0.01 1 133 36 36 ASN HD21 H 7.945 0.01 2 134 36 36 ASN HD22 H 6.573 0.01 2 135 36 36 ASN CA C 55.619 0.3 1 136 36 36 ASN CB C 39.465 0.3 1 137 36 36 ASN N N 117.340 0.2 1 138 36 36 ASN ND2 N 114.307 0.2 1 139 37 37 ASP H H 8.343 0.01 1 140 37 37 ASP CA C 56.437 0.3 1 141 37 37 ASP CB C 40.672 0.3 1 142 37 37 ASP N N 117.181 0.2 1 143 38 38 ALA H H 7.658 0.01 1 144 38 38 ALA CA C 53.063 0.3 1 145 38 38 ALA CB C 18.890 0.3 1 146 38 38 ALA N N 118.452 0.2 1 147 39 39 ALA H H 7.250 0.01 1 148 39 39 ALA CA C 50.415 0.3 1 149 39 39 ALA CB C 18.017 0.3 1 150 39 39 ALA N N 120.895 0.2 1 151 40 40 LYS H H 9.014 0.01 1 152 40 40 LYS CA C 57.007 0.3 1 153 40 40 LYS CB C 34.438 0.3 1 154 40 40 LYS N N 123.188 0.2 1 155 41 41 THR H H 7.695 0.01 1 156 41 41 THR CA C 59.243 0.3 1 157 41 41 THR CB C 72.207 0.3 1 158 41 41 THR N N 108.654 0.2 1 159 42 42 THR H H 9.226 0.01 1 160 42 42 THR CA C 69.271 0.3 1 161 42 42 THR CB C 67.024 0.3 1 162 42 42 THR N N 118.960 0.2 1 163 43 43 PRO CA C 66.157 0.3 1 164 43 43 PRO CB C 30.897 0.3 1 165 44 44 ASP H H 7.212 0.01 1 166 44 44 ASP CA C 57.631 0.3 1 167 44 44 ASP CB C 40.497 0.3 1 168 44 44 ASP N N 117.030 0.2 1 169 45 45 ARG H H 8.432 0.01 1 170 45 45 ARG HE H 7.597 0.01 1 171 45 45 ARG CA C 60.732 0.3 1 172 45 45 ARG CB C 31.220 0.3 1 173 45 45 ARG N N 121.238 0.2 1 174 45 45 ARG NE N 84.137 0.2 1 175 46 46 GLN H H 8.443 0.01 1 176 46 46 GLN HE21 H 7.588 0.01 2 177 46 46 GLN HE22 H 6.502 0.01 2 178 46 46 GLN CA C 60.552 0.3 1 179 46 46 GLN CB C 26.947 0.3 1 180 46 46 GLN N N 118.286 0.2 1 181 46 46 GLN NE2 N 110.599 0.2 1 182 47 47 THR H H 8.350 0.01 1 183 47 47 THR CA C 66.953 0.3 1 184 47 47 THR CB C 68.550 0.3 1 185 47 47 THR N N 117.464 0.2 1 186 48 48 ALA H H 8.603 0.01 1 187 48 48 ALA CA C 56.565 0.3 1 188 48 48 ALA CB C 17.584 0.3 1 189 48 48 ALA N N 124.513 0.2 1 190 49 49 CYS H H 7.941 0.01 1 191 49 49 CYS CA C 60.398 0.3 1 192 49 49 CYS CB C 33.933 0.3 1 193 49 49 CYS N N 116.347 0.2 1 194 50 50 ASN H H 8.311 0.01 1 195 50 50 ASN HD21 H 7.233 0.01 2 196 50 50 ASN CA C 56.933 0.3 1 197 50 50 ASN CB C 39.154 0.3 1 198 50 50 ASN N N 120.741 0.2 1 199 50 50 ASN ND2 N 115.979 0.2 1 200 51 51 CYS H H 9.096 0.01 1 201 51 51 CYS CA C 57.404 0.3 1 202 51 51 CYS CB C 36.166 0.3 1 203 51 51 CYS N N 120.701 0.2 1 204 52 52 LEU H H 8.301 0.01 1 205 52 52 LEU CA C 58.298 0.3 1 206 52 52 LEU CB C 41.569 0.3 1 207 52 52 LEU N N 122.245 0.2 1 208 53 53 LYS H H 8.227 0.01 1 209 53 53 LYS CA C 61.264 0.3 1 210 53 53 LYS CB C 32.520 0.3 1 211 53 53 LYS N N 119.864 0.2 1 212 54 54 THR H H 8.197 0.01 1 213 54 54 THR CA C 66.854 0.3 1 214 54 54 THR CB C 68.697 0.3 1 215 54 54 THR N N 114.675 0.2 1 216 55 55 THR H H 8.035 0.01 1 217 55 55 THR CA C 67.389 0.3 1 218 55 55 THR CB C 68.591 0.3 1 219 55 55 THR N N 120.618 0.2 1 220 56 56 PHE H H 8.365 0.01 1 221 56 56 PHE CA C 60.584 0.3 1 222 56 56 PHE CB C 38.384 0.3 1 223 56 56 PHE N N 121.645 0.2 1 224 57 57 LYS H H 8.314 0.01 1 225 57 57 LYS CA C 58.835 0.3 1 226 57 57 LYS CB C 32.633 0.3 1 227 57 57 LYS N N 118.547 0.2 1 228 58 58 SER H H 7.675 0.01 1 229 58 58 SER CA C 59.615 0.3 1 230 58 58 SER CB C 64.189 0.3 1 231 58 58 SER N N 111.554 0.2 1 232 59 59 ASN H H 7.299 0.01 1 233 59 59 ASN HD21 H 7.363 0.01 2 234 59 59 ASN HD22 H 6.931 0.01 2 235 59 59 ASN CA C 52.664 0.3 1 236 59 59 ASN CB C 39.383 0.3 1 237 59 59 ASN N N 120.248 0.2 1 238 59 59 ASN ND2 N 113.057 0.2 1 239 60 60 LYS H H 8.547 0.01 1 240 60 60 LYS CA C 57.915 0.3 1 241 60 60 LYS CB C 31.912 0.3 1 242 60 60 LYS N N 123.121 0.2 1 243 61 61 ASP H H 8.493 0.01 1 244 61 61 ASP CA C 54.822 0.3 1 245 61 61 ASP CB C 40.569 0.3 1 246 61 61 ASP N N 117.038 0.2 1 247 62 62 PHE H H 7.380 0.01 1 248 62 62 PHE CA C 55.900 0.3 1 249 62 62 PHE CB C 38.172 0.3 1 250 62 62 PHE N N 118.722 0.2 1 251 63 63 LYS H H 8.453 0.01 1 252 63 63 LYS CA C 54.426 0.3 1 253 63 63 LYS CB C 32.074 0.3 1 254 63 63 LYS N N 122.097 0.2 1 255 64 64 SER H H 9.075 0.01 1 256 64 64 SER CA C 61.918 0.3 1 257 64 64 SER CB C 62.748 0.3 1 258 64 64 SER N N 121.975 0.2 1 259 65 65 ASP H H 8.998 0.01 1 260 65 65 ASP CA C 56.930 0.3 1 261 65 65 ASP CB C 39.605 0.3 1 262 65 65 ASP N N 120.144 0.2 1 263 66 66 PHE H H 6.792 0.01 1 264 66 66 PHE CA C 57.029 0.3 1 265 66 66 PHE CB C 36.593 0.3 1 266 66 66 PHE N N 118.347 0.2 1 267 67 67 ALA H H 7.984 0.01 1 268 67 67 ALA CA C 55.612 0.3 1 269 67 67 ALA CB C 18.857 0.3 1 270 67 67 ALA N N 123.215 0.2 1 271 68 68 ALA H H 8.138 0.01 1 272 68 68 ALA CA C 54.711 0.3 1 273 68 68 ALA CB C 18.573 0.3 1 274 68 68 ALA N N 116.945 0.2 1 275 69 69 SER H H 7.531 0.01 1 276 69 69 SER CA C 58.626 0.3 1 277 69 69 SER CB C 64.612 0.3 1 278 69 69 SER N N 108.998 0.2 1 279 70 70 LEU H H 7.485 0.01 1 280 70 70 LEU CA C 59.950 0.3 1 281 70 70 LEU CB C 39.983 0.3 1 282 70 70 LEU N N 122.629 0.2 1 283 71 71 PRO CA C 67.737 0.3 1 284 71 71 PRO CB C 31.138 0.3 1 285 72 72 SER H H 7.979 0.01 1 286 72 72 SER CA C 61.583 0.3 1 287 72 72 SER CB C 62.599 0.3 1 288 72 72 SER N N 112.459 0.2 1 289 73 73 LYS H H 8.413 0.01 1 290 73 73 LYS CA C 59.116 0.3 1 291 73 73 LYS CB C 32.537 0.3 1 292 73 73 LYS N N 122.978 0.2 1 293 74 74 CYS H H 7.773 0.01 1 294 74 74 CYS CA C 52.963 0.3 1 295 74 74 CYS CB C 36.180 0.3 1 296 74 74 CYS N N 113.871 0.2 1 297 75 75 GLY H H 7.979 0.01 1 298 75 75 GLY CA C 46.864 0.3 1 299 75 75 GLY N N 111.430 0.2 1 300 76 76 VAL H H 8.075 0.01 1 301 76 76 VAL CA C 60.456 0.3 1 302 76 76 VAL CB C 34.612 0.3 1 303 76 76 VAL N N 118.687 0.2 1 304 77 77 ASN H H 8.755 0.01 1 305 77 77 ASN HD21 H 7.475 0.01 2 306 77 77 ASN HD22 H 6.774 0.01 2 307 77 77 ASN CA C 51.992 0.3 1 308 77 77 ASN CB C 37.558 0.3 1 309 77 77 ASN N N 126.548 0.2 1 310 77 77 ASN ND2 N 111.891 0.2 1 311 78 78 ILE H H 7.489 0.01 1 312 78 78 ILE CA C 57.735 0.3 1 313 78 78 ILE CB C 38.882 0.3 1 314 78 78 ILE N N 124.664 0.2 1 315 79 79 PRO CA C 64.452 0.3 1 316 79 79 PRO CB C 30.911 0.3 1 317 80 80 TYR H H 6.654 0.01 1 318 80 80 TYR CA C 54.469 0.3 1 319 80 80 TYR CB C 40.059 0.3 1 320 80 80 TYR N N 115.807 0.2 1 321 81 81 LYS H H 8.383 0.01 1 322 81 81 LYS CA C 55.596 0.3 1 323 81 81 LYS CB C 33.180 0.3 1 324 81 81 LYS N N 119.498 0.2 1 325 82 82 ILE H H 9.205 0.01 1 326 82 82 ILE N N 129.451 0.2 1 327 83 83 SER H H 7.436 0.01 1 328 83 83 SER N N 118.676 0.2 1 329 84 84 LEU H H 8.668 0.01 1 330 84 84 LEU CA C 57.332 0.3 1 331 84 84 LEU CB C 41.729 0.3 1 332 84 84 LEU N N 123.536 0.2 1 333 85 85 GLU H H 8.319 0.01 1 334 85 85 GLU CA C 56.345 0.3 1 335 85 85 GLU CB C 29.922 0.3 1 336 85 85 GLU N N 115.244 0.2 1 337 86 86 THR H H 7.192 0.01 1 338 86 86 THR CA C 64.186 0.3 1 339 86 86 THR CB C 70.192 0.3 1 340 86 86 THR N N 118.579 0.2 1 341 87 87 ASP H H 8.792 0.01 1 342 87 87 ASP CA C 52.266 0.3 1 343 87 87 ASP CB C 39.629 0.3 1 344 87 87 ASP N N 125.702 0.2 1 345 88 88 CYS H H 8.643 0.01 1 346 88 88 CYS CA C 55.842 0.3 1 347 88 88 CYS CB C 36.590 0.3 1 348 88 88 CYS N N 126.073 0.2 1 349 89 89 ASN H H 8.351 0.01 1 350 89 89 ASN HD21 H 7.891 0.01 2 351 89 89 ASN HD22 H 7.003 0.01 2 352 89 89 ASN CA C 54.998 0.3 1 353 89 89 ASN CB C 38.075 0.3 1 354 89 89 ASN N N 115.189 0.2 1 355 89 89 ASN ND2 N 114.689 0.2 1 356 90 90 LYS H H 7.239 0.01 1 357 90 90 LYS CA C 55.422 0.3 1 358 90 90 LYS CB C 32.962 0.3 1 359 90 90 LYS N N 116.293 0.2 1 360 91 91 VAL H H 6.941 0.01 1 361 91 91 VAL CA C 63.427 0.3 1 362 91 91 VAL CB C 32.801 0.3 1 363 91 91 VAL N N 121.697 0.2 1 364 92 92 LYS H H 7.996 0.01 1 365 92 92 LYS CA C 57.400 0.3 1 366 92 92 LYS CB C 34.838 0.3 1 367 92 92 LYS N N 130.909 0.2 1 stop_ save_