data_27179 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Hepatitis B Virus X protein (HBx) ; _BMRB_accession_number 27179 _BMRB_flat_file_name bmr27179.str _Entry_type original _Submission_date 2017-07-14 _Accession_date 2017-07-14 _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 Delgado Leonildo . . 2 Grzesiek Stephan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 2 T1_relaxation 2 T2_relaxation 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 533 "13C chemical shifts" 450 "15N chemical shifts" 115 "T1 relaxation values" 219 "T2 relaxation values" 219 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-15 original BMRB . stop_ _Original_release_date 2017-07-14 save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N, 13C assignments and 15N relaxation data of the intrinsically disordered hepatitis B virus X protein (HBx) in a detergent mixture ; _Citation_status 'in preparation' _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delgado Leonildo . . 2 Grzesiek Stephan . . 3 Delgado Leonildo . . 4 Grzesiek Stephan . . stop_ _Journal_abbreviation 'Not known' _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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Hepatitis B virus X protein (HBx) monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hepatitis B virus X protein (HBx)' $Hepatitis_B_virus_X_protein_(HBx) stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Hepatitis_B_virus_X_protein_(HBx) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Hepatitis_B_virus_X_protein_(HBx) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; MGSSHHHHHHSSGRENLYFQ GSGSAARLSSQLDPARDVLS LRPVGAESRGRPFSGSLGTL SSPSPSAVPTDHGAHLSLRG LPVSAFSSAGPSALRFTSAR RMETTVNAHQILPKVLHKRT LGLSAMSTTDLEAYFKDSLF KDWEELGEEIRLKVFVLGGS RHKLVSAPAPSNFFTSA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -22 MET 2 -21 GLY 3 -20 SER 4 -19 SER 5 -18 HIS 6 -17 HIS 7 -16 HIS 8 -15 HIS 9 -14 HIS 10 -13 HIS 11 -12 SER 12 -11 SER 13 -10 GLY 14 -9 ARG 15 -8 GLU 16 -7 ASN 17 -6 LEU 18 -5 TYR 19 -4 PHE 20 -3 GLN 21 -2 GLY 22 -1 SER 23 0 GLY 24 1 SER 25 2 ALA 26 3 ALA 27 4 ARG 28 5 LEU 29 6 SER 30 7 SER 31 8 GLN 32 9 LEU 33 10 ASP 34 11 PRO 35 12 ALA 36 13 ARG 37 14 ASP 38 15 VAL 39 16 LEU 40 17 SER 41 18 LEU 42 19 ARG 43 20 PRO 44 21 VAL 45 22 GLY 46 23 ALA 47 24 GLU 48 25 SER 49 26 ARG 50 27 GLY 51 28 ARG 52 29 PRO 53 30 PHE 54 31 SER 55 32 GLY 56 33 SER 57 34 LEU 58 35 GLY 59 36 THR 60 37 LEU 61 38 SER 62 39 SER 63 40 PRO 64 41 SER 65 42 PRO 66 43 SER 67 44 ALA 68 45 VAL 69 46 PRO 70 47 THR 71 48 ASP 72 49 HIS 73 50 GLY 74 51 ALA 75 52 HIS 76 53 LEU 77 54 SER 78 55 LEU 79 56 ARG 80 57 GLY 81 58 LEU 82 59 PRO 83 60 VAL 84 61 SER 85 62 ALA 86 63 PHE 87 64 SER 88 65 SER 89 66 ALA 90 67 GLY 91 68 PRO 92 69 SER 93 70 ALA 94 71 LEU 95 72 ARG 96 73 PHE 97 74 THR 98 75 SER 99 76 ALA 100 77 ARG 101 78 ARG 102 79 MET 103 80 GLU 104 81 THR 105 82 THR 106 83 VAL 107 84 ASN 108 85 ALA 109 86 HIS 110 87 GLN 111 88 ILE 112 89 LEU 113 90 PRO 114 91 LYS 115 92 VAL 116 93 LEU 117 94 HIS 118 95 LYS 119 96 ARG 120 97 THR 121 98 LEU 122 99 GLY 123 100 LEU 124 101 SER 125 102 ALA 126 103 MET 127 104 SER 128 105 THR 129 106 THR 130 107 ASP 131 108 LEU 132 109 GLU 133 110 ALA 134 111 TYR 135 112 PHE 136 113 LYS 137 114 ASP 138 115 SER 139 116 LEU 140 117 PHE 141 118 LYS 142 119 ASP 143 120 TRP 144 121 GLU 145 122 GLU 146 123 LEU 147 124 GLY 148 125 GLU 149 126 GLU 150 127 ILE 151 128 ARG 152 129 LEU 153 130 LYS 154 131 VAL 155 132 PHE 156 133 VAL 157 134 LEU 158 135 GLY 159 136 GLY 160 137 SER 161 138 ARG 162 139 HIS 163 140 LYS 164 141 LEU 165 142 VAL 166 143 SER 167 144 ALA 168 145 PRO 169 146 ALA 170 147 PRO 171 148 SER 172 149 ASN 173 150 PHE 174 151 PHE 175 152 THR 176 153 SER 177 154 ALA 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 $Hepatitis_B_virus_X_protein_(HBx) Human 9606 Eukaryota Metazoa Homo sapiens 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 $Hepatitis_B_virus_X_protein_(HBx) 'recombinant technology' . Escherichia coli . 'pROX180-9CS N-ter' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Hepatitis_B_virus_X_protein_(HBx) 0.7 mM 0.5 0.9 '[U-100% 13C; U-100% 15N]' 'sodium acetate' 20 mM . . 'natural abundance' EDTA 2 mM . . 'natural abundance' DHPC 100 mM . . 'natural abundance' Fos-Choline-12 2.8 mM . . 'natural abundance' 'sodium chloride' 0 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_4D_(H)NNH)_9 _Saveframe_category NMR_applied_experiment _Experiment_name '4D (H)NNH)' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.0 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.689 internal indirect . . . 0.251441530 water H 1 protons ppm 4.689 internal direct . . . 1 water N 15 protons ppm 4.689 internal 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 'Hepatitis B virus X protein (HBx)' _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 2 25 ALA H H 8.282 0.004 1 2 2 25 ALA HA H 4.298 0.000 1 3 2 25 ALA HB H 1.416 0.000 1 4 2 25 ALA C C 177.786 0.000 1 5 2 25 ALA CA C 53.006 0.011 1 6 2 25 ALA CB C 19.066 0.047 1 7 2 25 ALA N N 125.503 0.020 1 8 3 26 ALA H H 8.051 0.003 1 9 3 26 ALA HA H 4.264 0.000 1 10 3 26 ALA HB H 1.385 0.000 1 11 3 26 ALA C C 178.033 0.000 1 12 3 26 ALA CA C 52.934 0.017 1 13 3 26 ALA CB C 19.067 0.044 1 14 3 26 ALA N N 122.290 0.017 1 15 4 27 ARG H H 8.077 0.003 1 16 4 27 ARG HA H 4.323 0.000 1 17 4 27 ARG HB2 H 1.790 0.000 1 18 4 27 ARG HB3 H 1.873 0.000 1 19 4 27 ARG HG2 H 1.640 0.000 2 20 4 27 ARG HG3 H 1.640 0.000 2 21 4 27 ARG HD2 H 3.210 0.000 2 22 4 27 ARG HD3 H 3.210 0.000 2 23 4 27 ARG C C 176.641 0.000 1 24 4 27 ARG CA C 56.371 0.026 1 25 4 27 ARG CB C 30.735 0.021 1 26 4 27 ARG CG C 27.265 0.000 1 27 4 27 ARG CD C 43.461 0.000 1 28 4 27 ARG N N 119.374 0.033 1 29 5 28 LEU H H 8.170 0.003 1 30 5 28 LEU HA H 4.375 0.000 1 31 5 28 LEU HB2 H 1.664 0.000 2 32 5 28 LEU HB3 H 1.664 0.000 2 33 5 28 LEU HG H 1.664 0.000 1 34 5 28 LEU HD1 H 0.907 0.000 2 35 5 28 LEU HD2 H 0.907 0.000 2 36 5 28 LEU C C 177.690 0.000 1 37 5 28 LEU CA C 55.596 0.037 1 38 5 28 LEU CB C 42.432 0.026 1 39 5 28 LEU CG C 27.125 0.000 1 40 5 28 LEU CD1 C 25.006 0.000 1 41 5 28 LEU CD2 C 23.561 0.000 1 42 5 28 LEU N N 122.473 0.030 1 43 6 29 SER H H 8.227 0.003 1 44 6 29 SER HA H 4.428 0.000 1 45 6 29 SER HB2 H 3.877 0.000 1 46 6 29 SER HB3 H 3.946 0.000 1 47 6 29 SER C C 174.975 0.000 1 48 6 29 SER CA C 58.937 0.040 1 49 6 29 SER CB C 63.795 0.063 1 50 6 29 SER N N 115.641 0.024 1 51 7 30 SER H H 8.180 0.003 1 52 7 30 SER HA H 4.456 0.000 1 53 7 30 SER HB2 H 3.897 0.000 1 54 7 30 SER HB3 H 3.935 0.000 1 55 7 30 SER C C 174.692 0.000 1 56 7 30 SER CA C 58.886 0.023 1 57 7 30 SER CB C 63.775 0.060 1 58 7 30 SER N N 117.002 0.013 1 59 8 31 GLN H H 8.205 0.004 1 60 8 31 GLN HA H 4.343 0.000 1 61 8 31 GLN HB2 H 2.374 0.000 2 62 8 31 GLN HB3 H 2.374 0.000 2 63 8 31 GLN HG2 H 2.374 0.000 2 64 8 31 GLN HG3 H 2.374 0.000 2 65 8 31 GLN C C 175.770 0.000 1 66 8 31 GLN CA C 56.149 0.021 1 67 8 31 GLN CB C 29.423 0.004 1 68 8 31 GLN CG C 33.969 0.000 1 69 8 31 GLN N N 121.217 0.026 1 70 9 32 LEU H H 8.019 0.004 1 71 9 32 LEU HA H 3.935 0.000 1 72 9 32 LEU C C 176.534 0.000 1 73 9 32 LEU CA C 55.129 0.004 1 74 9 32 LEU CB C 42.544 0.012 1 75 9 32 LEU N N 121.779 0.072 1 76 10 33 ASP H H 8.223 0.003 1 77 10 33 ASP CA C 51.885 0.000 1 78 10 33 ASP CB C 40.323 0.000 1 79 10 33 ASP N N 121.030 0.106 1 80 11 34 PRO HA H 4.395 0.000 1 81 11 34 PRO C C 177.060 0.000 1 82 11 34 PRO CA C 63.972 0.021 1 83 11 34 PRO CB C 32.101 0.021 1 84 11 34 PRO CG C 27.144 0.000 1 85 11 34 PRO CD C 50.845 0.000 1 86 12 35 ALA H H 8.209 0.011 1 87 12 35 ALA HA H 4.278 0.000 1 88 12 35 ALA HB H 1.418 0.000 1 89 12 35 ALA C C 178.067 0.000 1 90 12 35 ALA CA C 52.975 0.028 1 91 12 35 ALA CB C 18.964 0.027 1 92 12 35 ALA N N 121.682 0.037 1 93 13 36 ARG H H 7.918 0.005 1 94 13 36 ARG HA H 4.270 0.000 1 95 13 36 ARG C C 176.339 0.000 1 96 13 36 ARG CA C 56.512 0.042 1 97 13 36 ARG CB C 30.844 0.006 1 98 13 36 ARG N N 118.238 0.044 1 99 14 37 ASP H H 8.228 0.003 1 100 14 37 ASP HA H 4.662 0.000 1 101 14 37 ASP HB2 H 2.692 0.000 1 102 14 37 ASP HB3 H 2.801 0.000 1 103 14 37 ASP C C 176.086 0.000 1 104 14 37 ASP CA C 54.142 0.079 1 105 14 37 ASP CB C 39.867 0.005 1 106 14 37 ASP N N 119.894 0.098 1 107 15 38 VAL H H 7.956 0.002 1 108 15 38 VAL HA H 4.082 0.000 1 109 15 38 VAL HB H 2.155 0.000 1 110 15 38 VAL HG1 H 0.963 0.000 2 111 15 38 VAL HG2 H 0.963 0.000 2 112 15 38 VAL C C 176.324 0.000 1 113 15 38 VAL CA C 63.049 0.038 1 114 15 38 VAL CB C 32.409 0.003 1 115 15 38 VAL CG1 C 21.288 0.000 1 116 15 38 VAL CG2 C 20.572 0.000 1 117 15 38 VAL N N 119.430 0.025 1 118 16 39 LEU H H 8.123 0.003 1 119 16 39 LEU HA H 4.337 0.000 1 120 16 39 LEU HB2 H 1.728 0.000 2 121 16 39 LEU HB3 H 1.728 0.000 2 122 16 39 LEU HG H 1.614 0.000 1 123 16 39 LEU HD1 H 0.926 0.000 2 124 16 39 LEU HD2 H 0.926 0.000 2 125 16 39 LEU C C 177.400 0.000 1 126 16 39 LEU CA C 55.653 0.074 1 127 16 39 LEU CB C 42.117 0.011 1 128 16 39 LEU CG C 27.160 0.000 1 129 16 39 LEU CD1 C 25.049 0.000 1 130 16 39 LEU CD2 C 23.485 0.000 1 131 16 39 LEU N N 123.249 0.054 1 132 17 40 SER H H 8.014 0.004 1 133 17 40 SER HA H 4.426 0.000 1 134 17 40 SER HB2 H 3.879 0.000 2 135 17 40 SER HB3 H 3.879 0.000 2 136 17 40 SER C C 174.313 0.000 1 137 17 40 SER CA C 58.468 0.023 1 138 17 40 SER CB C 63.784 0.035 1 139 17 40 SER N N 115.257 0.029 1 140 18 41 LEU H H 8.014 0.005 1 141 18 41 LEU HA H 4.369 0.000 1 142 18 41 LEU HB2 H 1.666 0.000 2 143 18 41 LEU HB3 H 1.666 0.000 2 144 18 41 LEU HG H 1.610 0.000 1 145 18 41 LEU HD1 H 0.898 0.000 2 146 18 41 LEU HD2 H 0.898 0.000 2 147 18 41 LEU C C 176.849 0.000 1 148 18 41 LEU CA C 55.154 0.068 1 149 18 41 LEU CB C 42.438 0.015 1 150 18 41 LEU CG C 27.019 0.000 1 151 18 41 LEU CD1 C 25.129 0.000 1 152 18 41 LEU CD2 C 23.476 0.000 1 153 18 41 LEU N N 123.165 0.029 1 154 19 42 ARG H H 8.083 0.004 1 155 19 42 ARG CA C 53.933 0.013 1 156 19 42 ARG CB C 30.395 0.000 1 157 19 42 ARG N N 121.874 0.018 1 158 20 43 PRO HA H 4.495 0.000 1 159 20 43 PRO HB2 H 2.281 0.000 2 160 20 43 PRO HB3 H 2.281 0.000 2 161 20 43 PRO HG2 H 2.024 0.000 1 162 20 43 PRO HG3 H 2.024 0.000 1 163 20 43 PRO HD2 H 3.629 0.000 2 164 20 43 PRO HD3 H 3.629 0.000 2 165 20 43 PRO C C 176.965 0.000 1 166 20 43 PRO CA C 63.076 0.039 1 167 20 43 PRO CB C 31.982 0.013 1 168 20 43 PRO CG C 27.334 0.000 1 169 20 43 PRO CD C 50.663 0.000 1 170 21 44 VAL H H 8.208 0.003 1 171 21 44 VAL HA H 4.117 0.000 1 172 21 44 VAL HB H 2.095 0.000 1 173 21 44 VAL HG1 H 0.982 0.000 2 174 21 44 VAL HG2 H 0.982 0.000 2 175 21 44 VAL C C 176.875 0.000 1 176 21 44 VAL CA C 62.596 0.030 1 177 21 44 VAL CB C 32.807 0.015 1 178 21 44 VAL CG1 C 21.154 0.000 1 179 21 44 VAL CG2 C 20.581 0.000 1 180 21 44 VAL N N 120.219 0.025 1 181 22 45 GLY H H 8.446 0.005 1 182 22 45 GLY HA2 H 3.986 0.000 2 183 22 45 GLY HA3 H 3.986 0.000 2 184 22 45 GLY C C 174.163 0.000 1 185 22 45 GLY CA C 45.340 0.012 1 186 22 45 GLY N N 112.233 0.036 1 187 23 46 ALA H H 8.174 0.003 1 188 23 46 ALA HA H 4.307 0.000 1 189 23 46 ALA HB H 1.407 0.000 1 190 23 46 ALA C C 178.043 0.000 1 191 23 46 ALA CA C 52.838 0.018 1 192 23 46 ALA CB C 19.338 0.002 1 193 23 46 ALA N N 123.762 0.023 1 194 24 47 GLU H H 8.441 0.017 1 195 24 47 GLU HA H 4.326 0.000 1 196 24 47 GLU HB2 H 2.364 0.000 2 197 24 47 GLU HB3 H 2.364 0.000 2 198 24 47 GLU HG2 H 2.364 0.000 2 199 24 47 GLU HG3 H 2.364 0.000 2 200 24 47 GLU C C 176.493 0.000 1 201 24 47 GLU CA C 56.490 0.054 1 202 24 47 GLU CB C 29.378 0.096 1 203 24 47 GLU CG C 35.105 0.000 1 204 24 47 GLU N N 119.074 0.062 1 205 25 48 SER H H 8.221 0.003 1 206 25 48 SER HA H 4.445 0.000 1 207 25 48 SER HB2 H 3.882 0.000 2 208 25 48 SER HB3 H 3.882 0.000 2 209 25 48 SER C C 174.671 0.000 1 210 25 48 SER CA C 58.492 0.021 1 211 25 48 SER CB C 63.842 0.034 1 212 25 48 SER N N 116.438 0.016 1 213 26 49 ARG H H 8.264 0.006 1 214 26 49 ARG HA H 4.369 0.000 1 215 26 49 ARG HB2 H 1.803 0.000 1 216 26 49 ARG HB3 H 1.920 0.000 1 217 26 49 ARG HG2 H 1.662 0.000 2 218 26 49 ARG HG3 H 1.662 0.000 2 219 26 49 ARG HD2 H 3.213 0.000 2 220 26 49 ARG HD3 H 3.213 0.000 2 221 26 49 ARG C C 176.684 0.000 1 222 26 49 ARG CA C 56.342 0.032 1 223 26 49 ARG CB C 30.723 0.014 1 224 26 49 ARG CG C 27.246 0.000 1 225 26 49 ARG CD C 43.467 0.000 1 226 26 49 ARG N N 122.524 0.019 1 227 27 50 GLY H H 8.327 0.003 1 228 27 50 GLY HA2 H 3.957 0.000 2 229 27 50 GLY HA3 H 3.957 0.000 2 230 27 50 GLY C C 173.646 0.000 1 231 27 50 GLY CA C 45.192 0.020 1 232 27 50 GLY N N 109.220 0.022 1 233 28 51 ARG H H 8.084 0.008 1 234 28 51 ARG CA C 53.957 0.027 1 235 28 51 ARG CB C 30.324 0.000 1 236 28 51 ARG N N 121.189 0.029 1 237 29 52 PRO HA H 4.419 0.000 1 238 29 52 PRO HB2 H 2.228 0.000 2 239 29 52 PRO HB3 H 2.228 0.000 2 240 29 52 PRO HG2 H 1.899 0.080 2 241 29 52 PRO HG3 H 1.899 0.080 2 242 29 52 PRO HD2 H 3.616 0.000 2 243 29 52 PRO HD3 H 3.616 0.000 2 244 29 52 PRO C C 176.586 0.000 1 245 29 52 PRO CA C 63.280 0.043 1 246 29 52 PRO CB C 31.967 0.013 1 247 29 52 PRO CG C 27.434 0.000 1 248 29 52 PRO CD C 50.638 0.000 1 249 30 53 PHE H H 8.296 0.004 1 250 30 53 PHE HA H 4.629 0.000 1 251 30 53 PHE HB2 H 3.142 0.000 2 252 30 53 PHE HB3 H 3.142 0.000 2 253 30 53 PHE C C 175.859 0.000 1 254 30 53 PHE CA C 57.914 0.041 1 255 30 53 PHE CB C 39.467 0.019 1 256 30 53 PHE N N 119.965 0.023 1 257 31 54 SER H H 8.177 0.003 1 258 31 54 SER HA H 4.415 0.000 1 259 31 54 SER HB2 H 3.845 0.000 2 260 31 54 SER HB3 H 3.845 0.000 2 261 31 54 SER C C 174.724 0.000 1 262 31 54 SER CA C 58.370 0.028 1 263 31 54 SER CB C 64.008 0.034 1 264 31 54 SER N N 117.520 0.021 1 265 32 55 GLY H H 7.829 0.002 1 266 32 55 GLY HA2 H 3.960 0.000 2 267 32 55 GLY HA3 H 3.960 0.000 2 268 32 55 GLY C C 174.039 0.000 1 269 32 55 GLY CA C 45.457 0.017 1 270 32 55 GLY N N 110.117 0.017 1 271 33 56 SER H H 8.159 0.002 1 272 33 56 SER HA H 4.502 0.000 1 273 33 56 SER HB2 H 3.874 0.000 2 274 33 56 SER HB3 H 3.874 0.000 2 275 33 56 SER C C 174.733 0.000 1 276 33 56 SER CA C 58.410 0.019 1 277 33 56 SER CB C 64.021 0.027 1 278 33 56 SER N N 115.413 0.016 1 279 34 57 LEU H H 8.317 0.003 1 280 34 57 LEU HA H 4.385 0.000 1 281 34 57 LEU HB2 H 1.679 0.000 2 282 34 57 LEU HB3 H 1.679 0.000 2 283 34 57 LEU HG H 1.679 0.000 1 284 34 57 LEU HD1 H 0.929 0.000 2 285 34 57 LEU HD2 H 0.929 0.000 2 286 34 57 LEU C C 177.841 0.000 1 287 34 57 LEU CA C 55.594 0.055 1 288 34 57 LEU CB C 42.404 0.022 1 289 34 57 LEU CG C 27.100 0.000 1 290 34 57 LEU CD1 C 23.594 0.000 1 291 34 57 LEU CD2 C 25.038 0.000 1 292 34 57 LEU N N 123.651 0.023 1 293 35 58 GLY H H 8.312 0.003 1 294 35 58 GLY HA2 H 3.988 0.000 2 295 35 58 GLY HA3 H 3.988 0.000 2 296 35 58 GLY C C 174.387 0.000 1 297 35 58 GLY CA C 45.552 0.022 1 298 35 58 GLY N N 108.732 0.020 1 299 36 59 THR H H 7.956 0.002 1 300 36 59 THR HA H 4.247 0.000 1 301 36 59 THR HB H 4.247 0.000 1 302 36 59 THR C C 174.709 0.000 1 303 36 59 THR CA C 61.914 0.088 1 304 36 59 THR CB C 69.853 0.013 1 305 36 59 THR N N 113.502 0.019 1 306 37 60 LEU H H 8.212 0.003 1 307 37 60 LEU HA H 4.421 0.000 1 308 37 60 LEU HB2 H 1.672 0.000 2 309 37 60 LEU HB3 H 1.672 0.000 2 310 37 60 LEU HG H 1.672 0.000 1 311 37 60 LEU HD1 H 0.921 0.000 2 312 37 60 LEU HD2 H 0.921 0.000 2 313 37 60 LEU C C 177.207 0.000 1 314 37 60 LEU CA C 55.394 0.049 1 315 37 60 LEU CB C 42.429 0.019 1 316 37 60 LEU CG C 27.088 0.000 1 317 37 60 LEU CD1 C 25.033 0.000 1 318 37 60 LEU CD2 C 23.614 0.000 1 319 37 60 LEU N N 124.001 0.017 1 320 38 61 SER H H 8.160 0.004 1 321 38 61 SER HA H 4.491 0.000 1 322 38 61 SER HB2 H 3.857 0.000 2 323 38 61 SER HB3 H 3.857 0.000 2 324 38 61 SER C C 174.075 0.000 1 325 38 61 SER CA C 58.187 0.030 1 326 38 61 SER CB C 64.039 0.023 1 327 38 61 SER N N 116.008 0.028 1 328 39 62 SER H H 8.183 0.003 1 329 39 62 SER CA C 56.373 0.025 1 330 39 62 SER CB C 63.584 0.000 1 331 39 62 SER N N 118.457 0.018 1 332 40 63 PRO HA H 4.492 0.000 1 333 40 63 PRO HB2 H 2.020 0.000 1 334 40 63 PRO HB3 H 2.284 0.000 1 335 40 63 PRO HG2 H 1.974 0.046 2 336 40 63 PRO HG3 H 1.974 0.046 2 337 40 63 PRO HD2 H 3.722 0.000 1 338 40 63 PRO HD3 H 3.801 0.000 1 339 40 63 PRO C C 176.753 0.000 1 340 40 63 PRO CA C 63.188 0.058 1 341 40 63 PRO CB C 32.118 0.008 1 342 40 63 PRO CG C 27.344 0.000 1 343 40 63 PRO CD C 50.762 0.000 1 344 41 64 SER H H 8.345 0.005 1 345 41 64 SER CA C 56.355 0.011 1 346 41 64 SER CB C 63.514 0.000 1 347 41 64 SER N N 117.312 0.020 1 348 42 65 PRO HA H 4.481 0.000 1 349 42 65 PRO HB2 H 2.045 0.000 1 350 42 65 PRO HB3 H 2.321 0.000 1 351 42 65 PRO HG2 H 1.968 0.000 1 352 42 65 PRO HG3 H 2.045 0.000 1 353 42 65 PRO HD2 H 3.759 0.000 1 354 42 65 PRO HD3 H 3.841 0.000 1 355 42 65 PRO C C 177.001 0.000 1 356 42 65 PRO CA C 63.549 0.031 1 357 42 65 PRO CB C 32.091 0.007 1 358 42 65 PRO CG C 27.388 0.000 1 359 42 65 PRO CD C 50.874 0.000 1 360 43 66 SER H H 8.215 0.003 1 361 43 66 SER HA H 4.433 0.000 1 362 43 66 SER HB2 H 3.865 0.000 2 363 43 66 SER HB3 H 3.865 0.000 2 364 43 66 SER C C 174.167 0.000 1 365 43 66 SER CA C 58.279 0.022 1 366 43 66 SER CB C 63.936 0.027 1 367 43 66 SER N N 115.192 0.014 1 368 44 67 ALA H H 8.193 0.003 1 369 44 67 ALA HA H 4.393 0.000 1 370 44 67 ALA HB H 1.396 0.000 1 371 44 67 ALA C C 177.288 0.000 1 372 44 67 ALA CA C 52.346 0.018 1 373 44 67 ALA CB C 19.484 0.041 1 374 44 67 ALA N N 125.950 0.013 1 375 45 68 VAL H H 8.006 0.003 1 376 45 68 VAL CA C 59.875 0.015 1 377 45 68 VAL CB C 32.613 0.000 1 378 45 68 VAL N N 120.453 0.019 1 379 46 69 PRO HA H 4.502 0.000 1 380 46 69 PRO HB2 H 2.038 0.000 1 381 46 69 PRO HB3 H 2.325 0.000 1 382 46 69 PRO HG2 H 1.939 0.000 1 383 46 69 PRO HG3 H 2.038 0.000 1 384 46 69 PRO HD2 H 3.710 0.000 1 385 46 69 PRO HD3 H 3.889 0.000 1 386 46 69 PRO C C 177.140 0.000 1 387 46 69 PRO CA C 63.356 0.037 1 388 46 69 PRO CB C 32.171 0.004 1 389 46 69 PRO CG C 27.496 0.000 1 390 46 69 PRO CD C 51.121 0.000 1 391 47 70 THR H H 8.136 0.003 1 392 47 70 THR HA H 4.317 0.000 1 393 47 70 THR HB H 4.209 0.000 1 394 47 70 THR C C 174.359 0.000 1 395 47 70 THR CA C 61.815 0.066 1 396 47 70 THR CB C 69.839 0.008 1 397 47 70 THR CG2 C 22.009 0.000 1 398 47 70 THR N N 113.717 0.016 1 399 48 71 ASP H H 8.259 0.008 1 400 48 71 ASP HA H 4.595 0.000 1 401 48 71 ASP HB2 H 2.721 0.000 2 402 48 71 ASP HB3 H 2.721 0.000 2 403 48 71 ASP C C 176.075 0.000 1 404 48 71 ASP CA C 53.865 0.060 1 405 48 71 ASP CB C 40.611 0.005 1 406 48 71 ASP N N 121.865 0.090 1 407 49 72 HIS H H 8.521 0.002 1 408 49 72 HIS HA H 4.690 0.000 1 409 49 72 HIS HB2 H 3.207 0.000 1 410 49 72 HIS HB3 H 3.386 0.000 1 411 49 72 HIS C C 174.924 0.000 1 412 49 72 HIS CA C 55.695 0.047 1 413 49 72 HIS CB C 28.612 0.029 1 414 49 72 HIS N N 119.035 0.018 1 415 50 73 GLY H H 8.437 0.005 1 416 50 73 GLY HA2 H 3.937 0.000 2 417 50 73 GLY HA3 H 3.937 0.000 2 418 50 73 GLY C C 173.760 0.000 1 419 50 73 GLY CA C 45.398 0.018 1 420 50 73 GLY N N 109.017 0.022 1 421 51 74 ALA H H 8.056 0.002 1 422 51 74 ALA HA H 4.289 0.000 1 423 51 74 ALA HB H 1.339 0.000 1 424 51 74 ALA C C 177.489 0.000 1 425 51 74 ALA CA C 52.545 0.032 1 426 51 74 ALA CB C 19.357 0.021 1 427 51 74 ALA N N 123.273 0.044 1 428 52 75 HIS H H 8.462 0.004 1 429 52 75 HIS HA H 4.724 0.000 1 430 52 75 HIS HB2 H 3.294 0.000 1 431 52 75 HIS HB3 H 3.182 0.000 1 432 52 75 HIS C C 174.252 0.000 1 433 52 75 HIS CA C 55.115 0.057 1 434 52 75 HIS CB C 28.960 0.010 1 435 52 75 HIS N N 117.140 0.023 1 436 53 76 LEU H H 8.285 0.004 1 437 53 76 LEU HA H 4.390 0.000 1 438 53 76 LEU HB2 H 1.652 0.000 2 439 53 76 LEU HB3 H 1.652 0.000 2 440 53 76 LEU HG H 1.573 0.000 1 441 53 76 LEU HD1 H 0.903 0.000 2 442 53 76 LEU HD2 H 0.903 0.000 2 443 53 76 LEU C C 176.785 0.000 1 444 53 76 LEU CA C 55.282 0.071 1 445 53 76 LEU CB C 42.739 0.009 1 446 53 76 LEU CG C 27.069 0.000 1 447 53 76 LEU CD1 C 24.978 0.000 1 448 53 76 LEU CD2 C 23.844 0.000 1 449 53 76 LEU N N 123.071 0.034 1 450 54 77 SER H H 8.297 0.005 1 451 54 77 SER HA H 4.552 0.000 1 452 54 77 SER HB2 H 3.859 0.000 2 453 54 77 SER HB3 H 3.859 0.000 2 454 54 77 SER C C 174.369 0.000 1 455 54 77 SER CA C 57.864 0.032 1 456 54 77 SER CB C 64.157 0.010 1 457 54 77 SER N N 116.723 0.025 1 458 55 78 LEU H H 8.366 0.004 1 459 55 78 LEU HA H 4.270 0.000 1 460 55 78 LEU HB2 H 1.662 0.000 2 461 55 78 LEU HB3 H 1.662 0.000 2 462 55 78 LEU HG H 1.662 0.000 1 463 55 78 LEU HD1 H 0.916 0.000 2 464 55 78 LEU HD2 H 0.916 0.000 2 465 55 78 LEU C C 177.039 0.000 1 466 55 78 LEU CA C 55.296 0.055 1 467 55 78 LEU CB C 42.364 0.015 1 468 55 78 LEU CG C 25.233 0.000 1 469 55 78 LEU CD1 C 23.734 0.000 1 470 55 78 LEU CD2 C 23.734 0.000 1 471 55 78 LEU N N 123.929 0.029 1 472 56 79 ARG H H 8.223 0.004 1 473 56 79 ARG HA H 4.269 0.000 1 474 56 79 ARG HB2 H 1.908 0.000 2 475 56 79 ARG HB3 H 1.908 0.000 2 476 56 79 ARG HG2 H 1.793 0.000 2 477 56 79 ARG HG3 H 1.793 0.000 2 478 56 79 ARG HD2 H 3.220 0.000 2 479 56 79 ARG HD3 H 3.220 0.000 2 480 56 79 ARG C C 176.499 0.000 1 481 56 79 ARG CA C 56.571 0.030 1 482 56 79 ARG CB C 30.502 0.025 1 483 56 79 ARG CG C 27.230 0.000 1 484 56 79 ARG CD C 43.463 0.000 1 485 56 79 ARG N N 120.131 0.034 1 486 57 80 GLY H H 8.276 0.004 1 487 57 80 GLY HA2 H 3.949 0.000 2 488 57 80 GLY HA3 H 3.949 0.000 2 489 57 80 GLY C C 173.774 0.000 1 490 57 80 GLY CA C 45.176 0.019 1 491 57 80 GLY N N 108.553 0.046 1 492 58 81 LEU H H 7.888 0.004 1 493 58 81 LEU CA C 52.977 0.024 1 494 58 81 LEU CB C 42.171 0.000 1 495 58 81 LEU N N 122.108 0.018 1 496 59 82 PRO HA H 4.589 0.000 1 497 59 82 PRO HB2 H 2.052 0.000 1 498 59 82 PRO HB3 H 2.263 0.000 1 499 59 82 PRO HG2 H 2.052 0.000 2 500 59 82 PRO HG3 H 2.052 0.000 2 501 59 82 PRO C C 176.917 0.000 1 502 59 82 PRO CA C 62.962 0.050 1 503 59 82 PRO CB C 31.525 0.008 1 504 59 82 PRO CG C 27.598 0.000 1 505 59 82 PRO CD C 50.463 0.000 1 506 60 83 VAL H H 8.145 0.004 1 507 60 83 VAL HA H 4.059 0.000 1 508 60 83 VAL HB H 2.132 0.000 1 509 60 83 VAL HG1 H 0.979 0.000 2 510 60 83 VAL HG2 H 0.979 0.000 2 511 60 83 VAL C C 176.674 0.000 1 512 60 83 VAL CA C 63.085 0.048 1 513 60 83 VAL CB C 32.540 0.015 1 514 60 83 VAL CG1 C 21.330 0.000 1 515 60 83 VAL N N 119.464 0.024 1 516 61 84 SER H H 8.221 0.004 1 517 61 84 SER HA H 4.394 0.000 1 518 61 84 SER HB2 H 3.911 0.000 2 519 61 84 SER HB3 H 3.911 0.000 2 520 61 84 SER C C 174.826 0.000 1 521 61 84 SER CA C 58.721 0.019 1 522 61 84 SER CB C 63.670 0.039 1 523 61 84 SER N N 117.217 0.032 1 524 62 85 ALA H H 8.141 0.006 1 525 62 85 ALA HA H 4.239 0.000 1 526 62 85 ALA HB H 1.280 0.002 1 527 62 85 ALA C C 177.419 0.049 1 528 62 85 ALA CA C 53.124 0.023 1 529 62 85 ALA CB C 19.142 0.033 1 530 62 85 ALA N N 124.960 0.029 1 531 63 86 PHE H H 7.951 0.004 1 532 63 86 PHE HA H 4.623 0.000 1 533 63 86 PHE HB2 H 3.028 0.000 1 534 63 86 PHE HB3 H 3.232 0.000 1 535 63 86 PHE C C 175.827 0.000 1 536 63 86 PHE CA C 57.810 0.051 1 537 63 86 PHE CB C 39.477 0.021 1 538 63 86 PHE N N 116.863 0.046 1 539 64 87 SER H H 7.995 0.003 1 540 64 87 SER HA H 4.477 0.000 1 541 64 87 SER HB2 H 3.860 0.000 1 542 64 87 SER HB3 H 3.931 0.000 1 543 64 87 SER C C 174.656 0.000 1 544 64 87 SER CA C 58.576 0.026 1 545 64 87 SER CB C 64.069 0.032 1 546 64 87 SER N N 115.645 0.026 1 547 65 88 SER H H 8.252 0.003 1 548 65 88 SER HA H 4.470 0.000 1 549 65 88 SER HB2 H 3.916 0.000 2 550 65 88 SER HB3 H 3.916 0.000 2 551 65 88 SER C C 174.151 0.000 1 552 65 88 SER CA C 58.615 0.026 1 553 65 88 SER CB C 63.888 0.040 1 554 65 88 SER N N 117.446 0.023 1 555 66 89 ALA H H 8.159 0.003 1 556 66 89 ALA HA H 4.414 0.000 1 557 66 89 ALA HB H 1.419 0.000 1 558 66 89 ALA C C 177.648 0.000 1 559 66 89 ALA CA C 52.533 0.020 1 560 66 89 ALA CB C 19.694 0.029 1 561 66 89 ALA N N 125.021 0.022 1 562 67 90 GLY H H 8.093 0.006 1 563 67 90 GLY CA C 44.890 0.005 1 564 67 90 GLY N N 107.520 0.019 1 565 68 91 PRO HA H 4.421 0.000 1 566 68 91 PRO HB2 H 2.046 0.000 1 567 68 91 PRO HB3 H 2.314 0.000 1 568 68 91 PRO HG2 H 2.046 0.000 2 569 68 91 PRO HG3 H 2.046 0.000 2 570 68 91 PRO HD2 H 3.672 0.000 2 571 68 91 PRO HD3 H 3.672 0.000 2 572 68 91 PRO C C 177.721 0.000 1 573 68 91 PRO CA C 63.812 0.028 1 574 68 91 PRO CB C 32.081 0.024 1 575 68 91 PRO CG C 27.371 0.000 1 576 68 91 PRO CD C 49.939 0.000 1 577 69 92 SER H H 8.343 0.003 1 578 69 92 SER HA H 4.364 0.000 1 579 69 92 SER HB2 H 3.921 0.000 2 580 69 92 SER HB3 H 3.921 0.000 2 581 69 92 SER C C 174.928 0.000 1 582 69 92 SER CA C 59.235 0.030 1 583 69 92 SER CB C 63.596 0.059 1 584 69 92 SER N N 115.401 0.021 1 585 70 93 ALA H H 8.190 0.003 1 586 70 93 ALA HA H 4.289 0.000 1 587 70 93 ALA HB H 1.424 0.000 1 588 70 93 ALA C C 177.891 0.000 1 589 70 93 ALA CA C 53.133 0.018 1 590 70 93 ALA CB C 19.246 0.033 1 591 70 93 ALA N N 124.900 0.022 1 592 71 94 LEU H H 7.901 0.003 1 593 71 94 LEU HA H 4.262 0.000 1 594 71 94 LEU HB2 H 1.641 0.000 2 595 71 94 LEU HB3 H 1.641 0.000 2 596 71 94 LEU HG H 1.544 0.000 1 597 71 94 LEU HD1 H 0.916 0.000 2 598 71 94 LEU HD2 H 0.916 0.000 2 599 71 94 LEU C C 177.210 0.000 1 600 71 94 LEU CA C 55.437 0.058 1 601 71 94 LEU CB C 42.107 0.025 1 602 71 94 LEU CG C 27.147 0.000 1 603 71 94 LEU CD1 C 23.703 0.000 1 604 71 94 LEU CD2 C 25.055 0.000 1 605 71 94 LEU N N 119.083 0.024 1 606 72 95 ARG H H 7.906 0.004 1 607 72 95 ARG HA H 4.273 0.000 1 608 72 95 ARG HB2 H 1.720 0.000 2 609 72 95 ARG HB3 H 1.720 0.000 2 610 72 95 ARG HG2 H 1.493 0.000 2 611 72 95 ARG HG3 H 1.493 0.000 2 612 72 95 ARG HD2 H 3.145 0.000 2 613 72 95 ARG HD3 H 3.145 0.000 2 614 72 95 ARG C C 176.136 0.000 1 615 72 95 ARG CA C 56.370 0.029 1 616 72 95 ARG CB C 30.797 0.008 1 617 72 95 ARG CG C 27.112 0.000 1 618 72 95 ARG CD C 43.492 0.000 1 619 72 95 ARG N N 120.026 0.023 1 620 73 96 PHE H H 8.120 0.003 1 621 73 96 PHE HA H 4.712 0.000 1 622 73 96 PHE HB2 H 3.045 0.000 1 623 73 96 PHE HB3 H 3.236 0.000 1 624 73 96 PHE C C 175.998 0.000 1 625 73 96 PHE CA C 57.940 0.027 1 626 73 96 PHE CB C 39.574 0.036 1 627 73 96 PHE N N 119.921 0.021 1 628 74 97 THR H H 8.000 0.004 1 629 74 97 THR HA H 4.262 0.000 1 630 74 97 THR HB H 4.262 0.000 1 631 74 97 THR C C 174.621 0.000 1 632 74 97 THR CA C 62.165 0.101 1 633 74 97 THR CB C 69.871 0.025 1 634 74 97 THR CG2 C 21.330 0.000 1 635 74 97 THR N N 114.237 0.021 1 636 75 98 SER H H 8.210 0.004 1 637 75 98 SER HA H 4.437 0.000 1 638 75 98 SER HB2 H 3.908 0.000 2 639 75 98 SER HB3 H 3.908 0.000 2 640 75 98 SER C C 174.511 0.000 1 641 75 98 SER CA C 58.708 0.026 1 642 75 98 SER CB C 63.889 0.050 1 643 75 98 SER N N 117.465 0.078 1 644 76 99 ALA H H 8.225 0.003 1 645 76 99 ALA HA H 4.321 0.000 1 646 76 99 ALA HB H 1.416 0.000 1 647 76 99 ALA C C 177.793 0.000 1 648 76 99 ALA CA C 52.978 0.016 1 649 76 99 ALA CB C 19.204 0.034 1 650 76 99 ALA N N 125.521 0.025 1 651 77 100 ARG H H 8.123 0.002 1 652 77 100 ARG HA H 4.395 0.000 1 653 77 100 ARG HB2 H 1.866 0.000 2 654 77 100 ARG HB3 H 1.866 0.000 2 655 77 100 ARG HG2 H 1.773 0.000 2 656 77 100 ARG HG3 H 1.773 0.000 2 657 77 100 ARG HD2 H 3.185 0.000 2 658 77 100 ARG HD3 H 3.185 0.000 2 659 77 100 ARG C C 176.476 0.000 1 660 77 100 ARG CA C 56.399 0.024 1 661 77 100 ARG CB C 30.699 0.025 1 662 77 100 ARG CG C 27.253 0.000 1 663 77 100 ARG CD C 43.479 0.000 1 664 77 100 ARG N N 119.390 0.032 1 665 78 101 ARG H H 8.225 0.006 1 666 78 101 ARG HA H 4.331 0.000 1 667 78 101 ARG HB2 H 1.797 0.000 1 668 78 101 ARG HB3 H 1.884 0.000 1 669 78 101 ARG HG2 H 1.648 0.000 2 670 78 101 ARG HG3 H 1.648 0.000 2 671 78 101 ARG HD2 H 3.219 0.000 2 672 78 101 ARG HD3 H 3.219 0.000 2 673 78 101 ARG C C 176.439 0.000 1 674 78 101 ARG CA C 56.419 0.024 1 675 78 101 ARG CB C 30.715 0.022 1 676 78 101 ARG CG C 27.260 0.000 1 677 78 101 ARG CD C 43.440 0.000 1 678 78 101 ARG N N 121.865 0.000 1 679 79 102 MET H H 8.350 0.008 1 680 79 102 MET C C 176.226 0.000 1 681 79 102 MET CA C 55.732 0.004 1 682 79 102 MET CB C 32.959 0.013 1 683 79 102 MET N N 121.444 0.077 1 684 80 103 GLU H H 8.388 0.010 1 685 80 103 GLU HA H 4.404 0.000 1 686 80 103 GLU HB2 H 2.365 0.000 2 687 80 103 GLU HB3 H 2.365 0.000 2 688 80 103 GLU HG2 H 2.367 0.000 2 689 80 103 GLU HG3 H 2.367 0.000 2 690 80 103 GLU C C 176.395 0.000 1 691 80 103 GLU CA C 56.501 0.077 1 692 80 103 GLU CB C 29.639 0.004 1 693 80 103 GLU CG C 35.114 0.000 1 694 80 103 GLU N N 121.570 0.074 1 695 81 104 THR H H 8.174 0.005 1 696 81 104 THR HA H 4.415 0.000 1 697 81 104 THR HB H 4.273 0.000 1 698 81 104 THR C C 174.730 0.000 1 699 81 104 THR CA C 62.066 0.015 1 700 81 104 THR CB C 69.764 0.012 1 701 81 104 THR N N 114.724 0.022 1 702 82 105 THR H H 8.110 0.003 1 703 82 105 THR HA H 4.387 0.000 1 704 82 105 THR HB H 4.236 0.000 1 705 82 105 THR C C 174.650 0.000 1 706 82 105 THR CA C 62.160 0.091 1 707 82 105 THR CB C 69.846 0.018 1 708 82 105 THR CG2 C 21.563 0.000 1 709 82 105 THR N N 116.525 0.025 1 710 83 106 VAL H H 8.113 0.004 1 711 83 106 VAL HA H 4.106 0.000 1 712 83 106 VAL HB H 2.078 0.000 1 713 83 106 VAL HG1 H 0.938 0.000 2 714 83 106 VAL HG2 H 0.938 0.000 2 715 83 106 VAL C C 175.769 0.000 1 716 83 106 VAL CA C 62.625 0.028 1 717 83 106 VAL CB C 32.707 0.036 1 718 83 106 VAL CG1 C 20.939 0.000 2 719 83 106 VAL CG2 C 20.939 0.000 2 720 83 106 VAL N N 122.075 0.030 1 721 84 107 ASN H H 8.390 0.004 1 722 84 107 ASN HA H 4.710 0.000 1 723 84 107 ASN HB2 H 2.860 0.000 1 724 84 107 ASN HB3 H 2.762 0.000 1 725 84 107 ASN C C 175.115 0.000 1 726 84 107 ASN CA C 53.120 0.020 1 727 84 107 ASN CB C 38.984 0.034 1 728 84 107 ASN N N 122.060 0.044 1 729 85 108 ALA H H 8.267 0.003 1 730 85 108 ALA HA H 4.225 0.000 1 731 85 108 ALA HB H 1.348 0.000 1 732 85 108 ALA C C 177.656 0.000 1 733 85 108 ALA CA C 53.114 0.024 1 734 85 108 ALA CB C 19.173 0.038 1 735 85 108 ALA N N 124.339 0.019 1 736 86 109 HIS H H 8.391 0.003 1 737 86 109 HIS HA H 4.648 0.000 1 738 86 109 HIS HB2 H 3.318 0.000 1 739 86 109 HIS HB3 H 3.214 0.000 1 740 86 109 HIS C C 174.339 0.000 1 741 86 109 HIS CA C 55.547 0.061 1 742 86 109 HIS CB C 28.729 0.030 1 743 86 109 HIS N N 116.192 0.038 1 744 87 110 GLN H H 8.188 0.004 1 745 87 110 GLN HA H 4.362 0.000 1 746 87 110 GLN HB2 H 2.347 0.000 2 747 87 110 GLN HB3 H 2.347 0.000 2 748 87 110 GLN HG2 H 2.347 0.000 2 749 87 110 GLN HG3 H 2.347 0.000 2 750 87 110 GLN C C 175.657 0.000 1 751 87 110 GLN CA C 56.070 0.029 1 752 87 110 GLN CB C 29.702 0.011 1 753 87 110 GLN CG C 33.883 0.000 1 754 87 110 GLN N N 120.507 0.050 1 755 88 111 ILE H H 8.174 0.005 1 756 88 111 ILE HA H 4.168 0.000 1 757 88 111 ILE HB H 1.853 0.000 1 758 88 111 ILE HG12 H 1.505 0.000 1 759 88 111 ILE HG13 H 1.199 0.000 1 760 88 111 ILE C C 175.864 0.000 1 761 88 111 ILE CA C 61.269 0.020 1 762 88 111 ILE CB C 38.702 0.044 1 763 88 111 ILE CG1 C 27.476 0.000 1 764 88 111 ILE N N 121.971 0.049 1 765 89 112 LEU H H 8.250 0.006 1 766 89 112 LEU CA C 53.710 0.055 1 767 89 112 LEU CB C 41.571 0.000 1 768 89 112 LEU N N 126.191 0.064 1 769 90 113 PRO HA H 4.495 0.000 1 770 90 113 PRO HB2 H 2.281 0.000 2 771 90 113 PRO HB3 H 2.281 0.000 2 772 90 113 PRO HG2 H 2.024 0.000 2 773 90 113 PRO HG3 H 2.024 0.000 2 774 90 113 PRO HD2 H 3.629 0.000 1 775 90 113 PRO HD3 H 3.796 0.000 1 776 90 113 PRO C C 176.913 0.000 1 777 90 113 PRO CA C 63.465 0.034 1 778 90 113 PRO CB C 32.030 0.033 1 779 90 113 PRO CG C 27.334 0.000 1 780 90 113 PRO CD C 50.663 0.000 1 781 91 114 LYS H H 8.179 0.023 1 782 91 114 LYS HA H 4.398 0.000 1 783 91 114 LYS C C 176.910 0.000 1 784 91 114 LYS CA C 56.934 0.031 1 785 91 114 LYS CB C 32.959 0.023 1 786 91 114 LYS N N 120.281 0.067 1 787 92 115 VAL H H 7.990 0.005 1 788 92 115 VAL HA H 4.062 0.000 1 789 92 115 VAL HG1 H 0.871 0.000 2 790 92 115 VAL HG2 H 0.871 0.000 2 791 92 115 VAL C C 175.791 0.000 1 792 92 115 VAL CA C 62.520 0.041 1 793 92 115 VAL CB C 32.705 0.017 1 794 92 115 VAL CG1 C 20.976 0.000 2 795 92 115 VAL CG2 C 20.976 0.000 2 796 92 115 VAL N N 120.218 0.055 1 797 93 116 LEU H H 8.165 0.006 1 798 93 116 LEU HA H 4.252 0.000 1 799 93 116 LEU HB2 H 1.596 0.000 2 800 93 116 LEU HB3 H 1.596 0.000 2 801 93 116 LEU HG H 1.500 0.000 1 802 93 116 LEU HD1 H 0.906 0.000 2 803 93 116 LEU HD2 H 0.906 0.000 2 804 93 116 LEU C C 176.874 0.000 1 805 93 116 LEU CA C 55.071 0.033 1 806 93 116 LEU CB C 42.523 0.017 1 807 93 116 LEU CG C 27.054 0.000 1 808 93 116 LEU CD1 C 23.680 0.000 1 809 93 116 LEU CD2 C 23.680 0.000 1 810 93 116 LEU N N 124.498 0.070 1 811 94 117 HIS H H 8.341 0.008 1 812 94 117 HIS HA H 4.700 0.000 1 813 94 117 HIS HB2 H 3.290 0.000 1 814 94 117 HIS HB3 H 3.191 0.000 1 815 94 117 HIS C C 174.306 0.000 1 816 94 117 HIS CA C 55.264 0.043 1 817 94 117 HIS CB C 29.017 0.012 1 818 94 117 HIS N N 118.827 0.030 1 819 95 118 LYS H H 8.310 0.005 1 820 95 118 LYS HA H 4.302 0.000 1 821 95 118 LYS HB2 H 1.776 0.000 1 822 95 118 LYS HB3 H 1.847 0.000 1 823 95 118 LYS HG2 H 1.429 0.000 2 824 95 118 LYS HG3 H 1.429 0.000 2 825 95 118 LYS HD2 H 1.715 0.000 2 826 95 118 LYS HD3 H 1.715 0.000 2 827 95 118 LYS HE2 H 2.992 0.000 2 828 95 118 LYS HE3 H 2.992 0.000 2 829 95 118 LYS C C 176.420 0.000 1 830 95 118 LYS CA C 56.711 0.018 1 831 95 118 LYS CB C 33.258 0.011 1 832 95 118 LYS CG C 24.870 0.000 1 833 95 118 LYS CD C 29.126 0.000 1 834 95 118 LYS N N 122.375 0.041 1 835 96 119 ARG H H 8.434 0.004 1 836 96 119 ARG HA H 4.409 0.000 1 837 96 119 ARG HB2 H 1.693 0.000 1 838 96 119 ARG HB3 H 1.898 0.000 1 839 96 119 ARG HG2 H 1.660 0.000 2 840 96 119 ARG HG3 H 1.660 0.000 2 841 96 119 ARG HD2 H 3.227 0.000 2 842 96 119 ARG HD3 H 3.227 0.000 2 843 96 119 ARG C C 176.280 0.000 1 844 96 119 ARG CA C 56.371 0.019 1 845 96 119 ARG CB C 30.953 0.011 1 846 96 119 ARG CG C 27.344 0.000 1 847 96 119 ARG CD C 43.508 0.000 1 848 96 119 ARG N N 122.280 0.033 1 849 97 120 THR H H 8.134 0.005 1 850 97 120 THR HA H 4.223 0.000 1 851 97 120 THR HB H 4.223 0.000 1 852 97 120 THR C C 174.322 0.000 1 853 97 120 THR CA C 61.814 0.027 1 854 97 120 THR CB C 69.824 0.014 1 855 97 120 THR N N 115.435 0.038 1 856 98 121 LEU H H 8.272 0.008 1 857 98 121 LEU HA H 4.269 0.000 1 858 98 121 LEU HB2 H 1.668 0.000 2 859 98 121 LEU HB3 H 1.668 0.000 2 860 98 121 LEU HG H 1.603 0.000 1 861 98 121 LEU HD1 H 0.897 0.000 2 862 98 121 LEU HD2 H 0.897 0.000 2 863 98 121 LEU C C 177.257 0.000 1 864 98 121 LEU CA C 55.420 0.043 1 865 98 121 LEU CB C 42.730 0.015 1 866 98 121 LEU CG C 27.230 0.000 1 867 98 121 LEU CD1 C 23.804 0.000 1 868 98 121 LEU CD2 C 25.023 0.000 1 869 98 121 LEU N N 124.125 0.028 1 870 99 122 GLY H H 8.273 0.003 1 871 99 122 GLY HA2 H 3.965 0.000 2 872 99 122 GLY HA3 H 3.965 0.000 2 873 99 122 GLY C C 174.441 0.000 1 874 99 122 GLY CA C 45.500 0.013 1 875 99 122 GLY N N 108.682 0.049 1 876 100 123 LEU H H 8.167 0.003 1 877 100 123 LEU HA H 4.405 0.000 1 878 100 123 LEU HB2 H 1.675 0.000 2 879 100 123 LEU HB3 H 1.675 0.000 2 880 100 123 LEU HG H 1.610 0.000 1 881 100 123 LEU HD1 H 0.868 0.000 2 882 100 123 LEU HD2 H 0.868 0.000 2 883 100 123 LEU C C 177.716 0.000 1 884 100 123 LEU CA C 55.971 0.041 1 885 100 123 LEU CB C 42.494 0.029 1 886 100 123 LEU CG C 27.165 0.000 1 887 100 123 LEU CD1 C 25.344 0.000 1 888 100 123 LEU CD2 C 23.708 0.000 1 889 100 123 LEU N N 121.316 0.033 1 890 101 124 SER H H 8.258 0.008 1 891 101 124 SER HA H 4.362 0.000 1 892 101 124 SER HB2 H 3.932 0.000 2 893 101 124 SER HB3 H 3.932 0.000 2 894 101 124 SER C C 174.337 0.000 1 895 101 124 SER CA C 59.211 0.026 1 896 101 124 SER CB C 63.789 0.037 1 897 101 124 SER N N 114.343 0.055 1 898 102 125 ALA H H 8.068 0.011 1 899 102 125 ALA HA H 4.384 0.000 1 900 102 125 ALA HB H 1.422 0.000 1 901 102 125 ALA C C 177.606 0.000 1 902 102 125 ALA CA C 52.614 0.033 1 903 102 125 ALA CB C 19.416 0.015 1 904 102 125 ALA N N 124.024 0.023 1 905 103 126 MET H H 7.924 0.006 1 906 103 126 MET C C 175.662 0.000 1 907 103 126 MET CA C 55.962 0.024 1 908 103 126 MET CB C 34.062 0.020 1 909 103 126 MET N N 118.404 0.055 1 910 104 127 SER H H 8.529 0.006 1 911 104 127 SER CA C 57.725 0.000 1 912 104 127 SER CB C 64.887 0.000 1 913 104 127 SER N N 116.870 0.038 1 914 105 128 THR H H 8.191 0.002 1 915 105 128 THR N N 115.255 0.027 1 916 121 144 GLU C C 174.176 0.000 1 917 121 144 GLU CA C 55.154 0.013 1 918 121 144 GLU CB C 28.885 0.000 1 919 122 145 GLU H H 8.497 0.002 1 920 122 145 GLU CA C 55.186 0.029 1 921 122 145 GLU CB C 29.004 0.000 1 922 122 145 GLU N N 119.114 0.018 1 923 129 152 LEU H H 8.013 0.000 1 924 129 152 LEU N N 121.813 0.000 1 925 134 157 LEU HA H 4.454 0.000 1 926 134 157 LEU HB2 H 1.832 0.000 1 927 134 157 LEU HB3 H 1.832 0.000 1 928 134 157 LEU HG H 1.630 0.000 1 929 134 157 LEU C C 178.308 0.000 1 930 134 157 LEU CA C 56.132 0.037 1 931 134 157 LEU CB C 42.184 0.010 1 932 135 158 GLY H H 8.129 0.004 1 933 135 158 GLY HA2 H 3.966 0.000 2 934 135 158 GLY HA3 H 3.966 0.000 2 935 135 158 GLY C C 175.011 0.000 1 936 135 158 GLY CA C 45.930 0.009 1 937 135 158 GLY N N 107.136 0.034 1 938 136 159 GLY H H 8.115 0.002 1 939 136 159 GLY HA2 H 3.960 0.000 2 940 136 159 GLY HA3 H 3.960 0.000 2 941 136 159 GLY C C 174.497 0.000 1 942 136 159 GLY CA C 45.714 0.055 1 943 136 159 GLY N N 108.095 0.049 1 944 137 160 SER H H 8.157 0.003 1 945 137 160 SER HA H 4.377 0.000 1 946 137 160 SER HB2 H 3.881 0.000 2 947 137 160 SER HB3 H 3.881 0.000 2 948 137 160 SER C C 174.856 0.000 1 949 137 160 SER CA C 58.861 0.022 1 950 137 160 SER CB C 63.787 0.052 1 951 137 160 SER N N 115.184 0.067 1 952 138 161 ARG H H 8.186 0.005 1 953 138 161 ARG HA H 4.294 0.000 1 954 138 161 ARG HB2 H 1.744 0.000 2 955 138 161 ARG HB3 H 1.744 0.000 2 956 138 161 ARG HG2 H 1.606 0.000 2 957 138 161 ARG HG3 H 1.606 0.000 2 958 138 161 ARG HD2 H 3.190 0.000 2 959 138 161 ARG HD3 H 3.190 0.000 2 960 138 161 ARG C C 176.196 0.000 1 961 138 161 ARG CA C 56.449 0.031 1 962 138 161 ARG CB C 30.449 0.003 1 963 138 161 ARG CG C 27.282 0.000 1 964 138 161 ARG CD C 43.403 0.000 1 965 138 161 ARG N N 121.439 0.020 1 966 139 162 HIS H H 8.294 0.005 1 967 139 162 HIS HA H 4.684 0.000 1 968 139 162 HIS HB2 H 3.289 0.000 2 969 139 162 HIS HB3 H 3.289 0.000 2 970 139 162 HIS C C 174.074 0.000 1 971 139 162 HIS CA C 55.348 0.042 1 972 139 162 HIS CB C 29.058 0.013 1 973 139 162 HIS N N 118.264 0.021 1 974 140 163 LYS H H 8.234 0.004 1 975 140 163 LYS HA H 4.321 0.000 1 976 140 163 LYS HB2 H 1.821 0.000 2 977 140 163 LYS HB3 H 1.821 0.000 2 978 140 163 LYS HG2 H 1.422 0.000 2 979 140 163 LYS HG3 H 1.422 0.000 2 980 140 163 LYS HD2 H 1.730 0.000 2 981 140 163 LYS HD3 H 1.730 0.000 2 982 140 163 LYS C C 176.136 0.000 1 983 140 163 LYS CA C 56.446 0.030 1 984 140 163 LYS CB C 33.252 0.004 1 985 140 163 LYS CG C 24.804 0.000 1 986 140 163 LYS CD C 29.129 0.000 1 987 140 163 LYS N N 121.893 0.032 1 988 141 164 LEU H H 8.302 0.005 1 989 141 164 LEU HA H 4.330 0.000 1 990 141 164 LEU HB2 H 1.648 0.000 2 991 141 164 LEU HB3 H 1.648 0.000 2 992 141 164 LEU HG H 1.648 0.000 1 993 141 164 LEU HD1 H 0.937 0.000 2 994 141 164 LEU HD2 H 0.937 0.000 2 995 141 164 LEU C C 176.990 0.000 1 996 141 164 LEU CA C 55.374 0.060 1 997 141 164 LEU CB C 42.473 0.041 1 998 141 164 LEU CG C 27.132 0.000 1 999 141 164 LEU CD1 C 23.870 0.000 1 1000 141 164 LEU N N 123.512 0.059 1 1001 142 165 VAL H H 8.034 0.005 1 1002 142 165 VAL HA H 4.202 0.000 1 1003 142 165 VAL HB H 2.110 0.000 1 1004 142 165 VAL HG1 H 0.952 0.000 2 1005 142 165 VAL HG2 H 0.952 0.000 2 1006 142 165 VAL C C 175.725 0.047 1 1007 142 165 VAL CA C 62.067 0.028 1 1008 142 165 VAL CB C 33.029 0.020 1 1009 142 165 VAL CG1 C 21.282 0.000 1 1010 142 165 VAL CG2 C 20.458 0.000 1 1011 142 165 VAL N N 119.953 0.042 1 1012 143 166 SER H H 8.218 0.004 1 1013 143 166 SER HA H 4.473 0.000 1 1014 143 166 SER HB2 H 3.821 0.000 2 1015 143 166 SER HB3 H 3.821 0.000 2 1016 143 166 SER C C 173.518 0.000 1 1017 143 166 SER CA C 58.016 0.017 1 1018 143 166 SER CB C 64.050 0.028 1 1019 143 166 SER N N 118.807 0.037 1 1020 144 167 ALA H H 8.161 0.004 1 1021 144 167 ALA CA C 50.467 0.007 1 1022 144 167 ALA CB C 18.548 0.000 1 1023 144 167 ALA N N 126.598 0.057 1 1024 145 168 PRO HA H 4.426 0.000 1 1025 145 168 PRO HB2 H 2.019 0.000 1 1026 145 168 PRO HB3 H 2.256 0.000 1 1027 145 168 PRO HG2 H 2.019 0.000 2 1028 145 168 PRO HG3 H 2.019 0.000 2 1029 145 168 PRO HD2 H 3.626 0.000 2 1030 145 168 PRO HD3 H 3.626 0.000 2 1031 145 168 PRO C C 176.111 0.000 1 1032 145 168 PRO CA C 62.910 0.031 1 1033 145 168 PRO CB C 32.026 0.031 1 1034 145 168 PRO CG C 27.425 0.000 1 1035 145 168 PRO CD C 50.426 0.000 1 1036 146 169 ALA H H 8.259 0.005 1 1037 146 169 ALA CA C 50.385 0.024 1 1038 146 169 ALA CB C 18.434 0.000 1 1039 146 169 ALA N N 124.909 0.026 1 1040 147 170 PRO HA H 4.415 0.000 1 1041 147 170 PRO HB2 H 2.034 0.000 1 1042 147 170 PRO HB3 H 2.302 0.000 1 1043 147 170 PRO HG2 H 2.034 0.000 2 1044 147 170 PRO HG3 H 2.034 0.000 2 1045 147 170 PRO HD2 H 3.646 0.000 2 1046 147 170 PRO HD3 H 3.646 0.000 2 1047 147 170 PRO C C 176.995 0.000 1 1048 147 170 PRO CA C 63.411 0.035 1 1049 147 170 PRO CB C 32.055 0.031 1 1050 147 170 PRO CG C 27.581 0.000 1 1051 147 170 PRO CD C 50.481 0.000 1 1052 148 171 SER H H 8.240 0.005 1 1053 148 171 SER HA H 4.357 0.000 1 1054 148 171 SER HB2 H 3.825 0.000 1 1055 148 171 SER HB3 H 3.859 0.000 1 1056 148 171 SER C C 174.424 0.000 1 1057 148 171 SER CA C 58.644 0.016 1 1058 148 171 SER CB C 63.828 0.031 1 1059 148 171 SER N N 114.665 0.017 1 1060 149 172 ASN H H 8.257 0.004 1 1061 149 172 ASN HA H 4.676 0.000 1 1062 149 172 ASN HB2 H 2.719 0.000 2 1063 149 172 ASN HB3 H 2.719 0.000 2 1064 149 172 ASN C C 174.928 0.000 1 1065 149 172 ASN CA C 53.368 0.019 1 1066 149 172 ASN CB C 38.960 0.029 1 1067 149 172 ASN N N 119.730 0.018 1 1068 150 173 PHE H H 8.068 0.005 1 1069 150 173 PHE HA H 4.459 0.000 1 1070 150 173 PHE HB2 H 2.911 0.000 2 1071 150 173 PHE HB3 H 2.911 0.000 2 1072 150 173 PHE C C 175.264 0.000 1 1073 150 173 PHE CA C 58.568 0.018 1 1074 150 173 PHE CB C 39.672 0.024 1 1075 150 173 PHE N N 119.665 0.024 1 1076 151 174 PHE H H 8.040 0.003 1 1077 151 174 PHE HA H 4.651 0.000 1 1078 151 174 PHE HB2 H 3.018 0.000 1 1079 151 174 PHE HB3 H 3.212 0.000 1 1080 151 174 PHE C C 175.564 0.000 1 1081 151 174 PHE CA C 57.848 0.017 1 1082 151 174 PHE CB C 39.608 0.034 1 1083 151 174 PHE N N 118.737 0.041 1 1084 152 175 THR H H 7.919 0.003 1 1085 152 175 THR HA H 4.234 0.000 1 1086 152 175 THR C C 174.127 0.000 1 1087 152 175 THR CA C 61.696 0.069 1 1088 152 175 THR CB C 69.932 0.018 1 1089 152 175 THR N N 114.357 0.044 1 1090 153 176 SER H H 8.168 0.005 1 1091 153 176 SER C C 173.365 0.000 1 1092 153 176 SER CA C 58.303 0.013 1 1093 153 176 SER CB C 64.153 0.016 1 1094 153 176 SER N N 118.030 0.055 1 1095 154 177 ALA H H 8.019 0.008 1 1096 154 177 ALA CA C 53.189 0.000 1 1097 154 177 ALA CB C 19.963 0.000 1 1098 154 177 ALA N N 129.722 0.212 1 stop_ save_ save_heteronuclear_R1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'Hepatitis B virus X protein (HBx)' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 25 ALA N 1.262 0.011 2 26 ALA N 1.344 0.015 3 27 ARG N 1.372 0.009 4 28 LEU N 1.471 0.001 5 29 SER N 1.372 0.039 6 30 SER N 1.411 0.040 7 31 GLN N 1.439 0.023 8 32 LEU N 1.524 0.026 9 33 ASP N 1.422 0.058 10 35 ALA N 1.484 0.011 11 36 ARG N 1.494 0.036 12 37 ASP N 1.482 0.012 13 38 VAL N 1.517 0.076 14 39 LEU N 1.472 0.086 15 40 SER N 1.468 0.015 16 41 LEU N 1.457 0.037 17 42 ARG N 1.424 0.091 18 44 VAL N 1.355 0.001 19 45 GLY N 1.356 0.028 20 46 ALA N 1.295 0.042 21 47 GLU N 1.301 0.004 22 48 SER N 1.293 0.004 23 49 ARG N 1.349 0.021 24 50 GLY N 1.301 0.040 25 51 ARG N 1.329 0.015 26 53 PHE N 1.419 0.006 27 54 SER N 1.308 0.036 28 55 GLY N 1.282 0.022 29 56 SER N 1.309 0.013 30 57 LEU N 1.279 0.006 31 58 GLY N 1.231 0.050 32 59 THR N 1.238 0.021 33 60 LEU N 1.250 0.017 34 61 SER N 1.148 0.041 35 62 SER N 1.111 0.047 36 64 SER N 1.151 0.017 37 66 SER N 1.195 0.029 38 67 ALA N 1.215 0.003 39 68 VAL N 1.244 0.005 40 70 THR N 1.284 0.053 41 71 ASP N 1.404 0.016 42 72 HIS N 1.431 0.048 43 73 GLY N 1.359 0.107 44 74 ALA N 1.376 0.003 45 75 HIS N 1.362 0.030 46 76 LEU N 1.426 0.082 47 77 SER N 1.387 0.035 48 78 LEU N 1.424 0.020 49 79 ARG N 1.380 0.005 50 80 GLY N 1.445 0.018 51 81 LEU N 1.516 0.069 52 83 VAL N 1.426 0.013 53 84 SER N 1.444 0.037 54 85 ALA N 1.471 0.017 55 86 PHE N 1.405 0.004 56 87 SER N 1.394 0.001 57 88 SER N 1.411 0.034 58 89 ALA N 1.385 0.007 59 90 GLY N 1.209 0.044 60 92 SER N 1.324 0.023 61 93 ALA N 1.431 0.036 62 94 LEU N 1.431 0.078 63 95 ARG N 1.512 0.030 64 96 PHE N 1.515 0.005 65 97 THR N 1.418 0.076 66 98 SER N 1.434 0.030 67 99 ALA N 1.416 0.003 68 100 ARG N 1.418 0.035 69 101 ARG N 1.449 0.007 70 102 MET N 1.341 0.104 71 103 GLU N 1.349 0.141 72 104 THR N 1.312 0.012 73 105 THR N 1.343 0.104 74 106 VAL N 1.352 0.022 75 107 ASN N 1.384 0.036 76 108 ALA N 1.395 0.077 77 109 HIS N 1.434 0.048 78 110 GLN N 1.383 0.093 79 111 ILE N 1.299 0.147 80 112 LEU N 1.316 0.083 81 114 LYS N 1.467 0.206 82 115 VAL N 1.353 0.002 83 116 LEU N 1.271 0.025 84 117 HIS N 1.544 0.052 85 118 LYS N 1.395 0.064 86 119 ARG N 1.543 0.009 87 120 THR N 1.346 0.003 88 121 LEU N 1.476 0.018 89 122 GLY N 1.404 0.003 90 123 LEU N 1.490 0.039 91 124 SER N 1.437 0.075 92 125 ALA N 1.395 0.027 93 126 MET N 1.427 0.091 94 127 SER N 1.252 0.074 95 145 GLU N 1.165 0.142 96 158 GLY N 1.318 0.000 97 159 GLY N 1.463 0.024 98 160 SER N 1.469 0.038 99 161 ARG N 1.447 0.013 100 162 HIS N 1.561 0.020 101 163 LYS N 1.443 0.030 102 164 LEU N 1.382 0.040 103 165 VAL N 1.304 0.022 104 166 SER N 1.279 0.054 105 167 ALA N 1.174 0.028 106 169 ALA N 1.243 0.037 107 171 SER N 1.293 0.080 108 172 ASN N 1.303 0.020 109 173 PHE N 1.293 0.020 110 174 PHE N 1.396 0.014 111 175 THR N 1.273 0.016 112 176 SER N 1.132 0.005 stop_ save_ save_heteronuclear_R1_list_2 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 900 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name 'Hepatitis B virus X protein (HBx)' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 25 ALA N 1.233 0.029 2 26 ALA N 1.296 0.016 3 27 ARG N 1.323 0.009 4 28 LEU N 1.380 0.080 5 29 SER N 1.386 0.011 6 30 SER N 1.340 0.037 7 31 GLN N 1.369 0.030 8 32 LEU N 1.487 0.004 9 35 ALA N 1.394 0.013 10 36 ARG N 1.348 0.067 11 37 ASP N 1.529 0.046 12 38 VAL N 1.378 0.035 13 39 LEU N 1.466 0.028 14 40 SER N 1.370 0.021 15 41 LEU N 1.394 0.034 16 42 ARG N 1.335 0.022 17 43 PRO N 1.357 0.012 18 44 VAL N 1.303 0.054 19 45 GLY N 1.329 0.010 20 46 ALA N 1.299 0.003 21 47 GLU N 1.342 0.006 22 48 SER N 1.323 0.018 23 50 GLY N 1.338 0.075 24 51 ARG N 1.317 0.021 25 53 PHE N 1.406 0.025 26 54 SER N 1.274 0.010 27 55 GLY N 1.221 0.001 28 56 SER N 1.320 0.028 29 57 LEU N 1.244 0.008 30 58 GLY N 1.226 0.027 31 59 THR N 1.223 0.057 32 60 LEU N 1.275 0.020 33 61 SER N 1.186 0.001 34 62 SER N 1.200 0.026 35 64 SER N 1.081 0.002 36 66 SER N 1.254 0.003 37 67 ALA N 1.207 0.009 38 68 VAL N 1.270 0.008 39 70 THR N 1.276 0.057 40 71 ASP N 1.434 0.006 41 72 HIS N 1.470 0.019 42 73 GLY N 1.355 0.037 43 74 ALA N 1.368 0.081 44 75 HIS N 1.429 0.102 45 76 LEU N 1.380 0.024 46 77 SER N 1.367 0.026 47 78 LEU N 1.359 0.004 48 79 ARG N 1.370 0.018 49 80 GLY N 1.319 0.022 50 83 VAL N 1.375 0.003 51 84 SER N 1.412 0.028 52 85 ALA N 1.419 0.016 53 86 PHE N 1.389 0.009 54 87 SER N 1.314 0.021 55 88 SER N 1.323 0.006 56 89 ALA N 1.361 0.016 57 90 GLY N 1.153 0.031 58 92 SER N 1.297 0.031 59 93 ALA N 1.470 0.065 60 94 LEU N 1.330 0.054 61 95 ARG N 1.470 0.070 62 96 PHE N 1.468 0.029 63 97 THR N 1.514 0.067 64 98 SER N 1.285 0.024 65 99 ALA N 1.301 0.079 66 100 ARG N 1.364 0.005 67 102 MET N 1.290 0.004 68 103 GLU N 1.455 0.050 69 104 THR N 1.369 0.049 70 105 THR N 1.299 0.018 71 106 VAL N 1.351 0.051 72 107 ASN N 1.441 0.025 73 108 ALA N 1.257 0.065 74 109 HIS N 1.321 0.010 75 110 GLN N 1.354 0.030 76 111 ILE N 1.410 0.141 77 112 LEU N 1.210 0.050 78 114 LYS N 1.339 0.082 79 115 VAL N 1.356 0.034 80 116 LEU N 1.293 0.191 81 117 HIS N 1.329 0.012 82 118 LYS N 1.342 0.017 83 119 ARG N 1.448 0.082 84 120 THR N 1.338 0.014 85 121 LEU N 1.261 0.022 86 122 GLY N 1.284 0.007 87 123 LEU N 1.295 0.005 88 124 SER N 1.236 0.041 89 125 ALA N 1.270 0.092 90 126 MET N 1.256 0.049 91 127 SER N 1.065 0.033 92 158 GLY N 1.065 0.086 93 159 GLY N 1.258 0.021 94 160 SER N 1.278 0.043 95 161 ARG N 1.346 0.008 96 163 LYS N 1.390 0.011 97 164 LEU N 1.302 0.053 98 165 VAL N 1.276 0.019 99 166 SER N 1.163 0.054 100 167 ALA N 1.143 0.022 101 169 ALA N 1.204 0.020 102 171 SER N 1.247 0.053 103 172 ASN N 1.415 0.020 104 173 PHE N 1.349 0.014 105 174 PHE N 1.407 0.035 106 175 THR N 1.300 0.017 107 176 SER N 1.130 0.005 stop_ save_ save_heteronuclear_R2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name 'Hepatitis B virus X protein (HBx)' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 25 ALA N 3.045 0.081 . . 2 26 ALA N 3.380 0.033 . . 3 27 ARG N 3.939 0.077 . . 4 28 LEU N 3.871 0.032 . . 5 29 SER N 4.558 0.001 . . 6 30 SER N 4.662 0.022 . . 7 31 GLN N 3.590 0.163 . . 8 32 LEU N 3.661 0.016 . . 9 33 ASP N 3.206 0.217 . . 10 35 ALA N 3.912 0.032 . . 11 36 ARG N 5.236 0.166 . . 12 37 ASP N 4.206 0.095 . . 13 38 VAL N 4.614 0.035 . . 14 39 LEU N 4.807 0.313 . . 15 40 SER N 4.746 0.021 . . 16 41 LEU N 3.897 0.106 . . 17 42 ARG N 3.705 0.118 . . 18 44 VAL N 3.387 0.008 . . 19 45 GLY N 2.578 0.087 . . 20 46 ALA N 2.841 0.011 . . 21 47 GLU N 2.845 0.042 . . 22 48 SER N 3.404 0.002 . . 23 49 ARG N 2.644 0.048 . . 24 50 GLY N 2.453 0.013 . . 25 51 ARG N 2.597 0.054 . . 26 53 PHE N 3.060 0.074 . . 27 54 SER N 4.061 0.137 . . 28 55 GLY N 2.437 0.084 . . 29 56 SER N 3.780 0.042 . . 30 57 LEU N 2.893 0.088 . . 31 58 GLY N 2.749 0.026 . . 32 59 THR N 2.811 0.141 . . 33 60 LEU N 2.702 0.026 . . 34 61 SER N 3.294 0.045 . . 35 62 SER N 2.961 0.016 . . 36 64 SER N 3.453 0.008 . . 37 66 SER N 3.190 0.000 . . 38 67 ALA N 2.204 0.007 . . 39 68 VAL N 2.757 0.044 . . 40 70 THR N 2.907 0.163 . . 41 71 ASP N 3.461 0.116 . . 42 72 HIS N 3.444 0.045 . . 43 73 GLY N 2.873 0.018 . . 44 74 ALA N 3.122 0.062 . . 45 75 HIS N 3.975 0.002 . . 46 76 LEU N 3.641 0.063 . . 47 77 SER N 4.383 0.138 . . 48 78 LEU N 4.131 0.128 . . 49 79 ARG N 3.723 0.076 . . 50 80 GLY N 3.544 0.185 . . 51 81 LEU N 4.137 0.051 . . 52 83 VAL N 4.446 0.142 . . 53 84 SER N 5.681 0.176 . . 54 85 ALA N 3.784 0.034 . . 55 86 PHE N 4.906 0.067 . . 56 87 SER N 4.807 0.138 . . 57 88 SER N 4.338 0.135 . . 58 89 ALA N 3.238 0.226 . . 59 90 GLY N 2.730 0.000 . . 60 92 SER N 4.595 0.050 . . 61 93 ALA N 3.741 0.142 . . 62 94 LEU N 4.549 0.109 . . 63 95 ARG N 4.330 0.174 . . 64 96 PHE N 4.322 0.143 . . 65 97 THR N 4.506 0.348 . . 66 98 SER N 5.042 0.222 . . 67 99 ALA N 4.164 0.036 . . 68 100 ARG N 4.445 0.009 . . 69 101 ARG N 4.070 0.020 . . 70 102 MET N 3.587 0.155 . . 71 103 GLU N 3.707 0.046 . . 72 104 THR N 4.349 0.068 . . 73 105 THR N 4.470 0.045 . . 74 106 VAL N 3.514 0.036 . . 75 107 ASN N 3.615 0.152 . . 76 108 ALA N 3.652 0.140 . . 77 109 HIS N 5.148 0.392 . . 78 110 GLN N 4.894 0.287 . . 79 111 ILE N 5.686 0.306 . . 80 112 LEU N 7.305 0.449 . . 81 114 LYS N 5.928 0.026 . . 82 115 VAL N 6.306 0.600 . . 83 116 LEU N 8.329 0.157 . . 84 117 HIS N 5.564 0.414 . . 85 118 LYS N 5.562 0.051 . . 86 119 ARG N 4.456 0.091 . . 87 120 THR N 4.785 0.044 . . 88 121 LEU N 5.393 0.081 . . 89 122 GLY N 4.208 0.039 . . 90 123 LEU N 6.061 0.044 . . 91 124 SER N 7.554 0.678 . . 92 125 ALA N 6.625 0.131 . . 93 126 MET N 6.442 0.082 . . 94 127 SER N 8.285 0.827 . . 95 145 GLU N 3.272 0.480 . . 96 158 GLY N 11.262 0.725 . . 97 159 GLY N 6.996 0.689 . . 98 160 SER N 5.875 0.160 . . 99 161 ARG N 5.431 0.073 . . 100 162 HIS N 6.138 0.062 . . 101 163 LYS N 4.421 0.125 . . 102 164 LEU N 4.395 0.140 . . 103 165 VAL N 3.870 0.227 . . 104 166 SER N 4.331 0.076 . . 105 167 ALA N 2.619 0.268 . . 106 169 ALA N 2.931 0.214 . . 107 171 SER N 3.757 0.004 . . 108 172 ASN N 3.443 0.018 . . 109 173 PHE N 4.017 0.009 . . 110 174 PHE N 4.212 0.108 . . 111 175 THR N 3.509 0.024 . . 112 176 SER N 2.936 0.059 . . stop_ save_ save_heteronuclear_R2_list_2 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 900 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name 'Hepatitis B virus X protein (HBx)' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 25 ALA N 3.618 0.021 . . 2 26 ALA N 3.363 0.151 . . 3 27 ARG N 4.033 0.019 . . 4 28 LEU N 3.950 0.031 . . 5 29 SER N 3.668 0.126 . . 6 30 SER N 3.798 0.221 . . 7 31 GLN N 4.407 0.056 . . 8 32 LEU N 3.968 0.038 . . 9 35 ALA N 4.722 0.045 . . 10 36 ARG N 4.884 0.131 . . 11 37 ASP N 4.516 0.208 . . 12 38 VAL N 5.054 0.096 . . 13 39 LEU N 5.341 0.120 . . 14 40 SER N 4.426 0.119 . . 15 41 LEU N 3.934 0.068 . . 16 42 ARG N 4.427 0.018 . . 17 44 VAL N 3.551 0.034 . . 18 45 GLY N 2.632 0.088 . . 19 46 ALA N 2.664 0.063 . . 20 47 GLU N 2.403 0.089 . . 21 48 SER N 2.466 0.062 . . 22 49 ARG N 2.441 0.179 . . 23 50 GLY N 2.326 0.113 . . 24 51 ARG N 2.899 0.138 . . 25 53 PHE N 3.289 0.065 . . 26 54 SER N 3.883 0.003 . . 27 55 GLY N 2.364 0.047 . . 28 56 SER N 3.329 0.080 . . 29 57 LEU N 2.567 0.053 . . 30 58 GLY N 2.984 0.007 . . 31 59 THR N 2.575 0.013 . . 32 60 LEU N 2.557 0.070 . . 33 61 SER N 2.425 0.015 . . 34 62 SER N 2.413 0.069 . . 35 64 SER N 2.900 0.046 . . 36 66 SER N 2.480 0.084 . . 37 67 ALA N 2.402 0.004 . . 38 68 VAL N 3.133 0.082 . . 39 70 THR N 2.592 0.155 . . 40 71 ASP N 4.089 0.021 . . 41 72 HIS N 3.316 0.279 . . 42 73 GLY N 2.939 0.072 . . 43 74 ALA N 3.259 0.032 . . 44 75 HIS N 3.245 0.004 . . 45 76 LEU N 3.993 0.019 . . 46 77 SER N 3.909 0.133 . . 47 78 LEU N 4.624 0.153 . . 48 79 ARG N 3.833 0.047 . . 49 80 GLY N 4.454 0.045 . . 50 83 VAL N 4.842 0.049 . . 51 84 SER N 5.189 0.322 . . 52 85 ALA N 4.800 0.045 . . 53 86 PHE N 4.881 0.159 . . 54 87 SER N 5.088 0.223 . . 55 88 SER N 4.084 0.189 . . 56 89 ALA N 4.242 0.054 . . 57 90 GLY N 3.176 0.251 . . 58 92 SER N 4.589 0.117 . . 59 93 ALA N 5.217 0.081 . . 60 94 LEU N 5.298 0.271 . . 61 95 ARG N 5.287 0.054 . . 62 96 PHE N 5.695 0.211 . . 63 97 THR N 5.353 0.148 . . 64 98 SER N 4.390 0.019 . . 65 99 ALA N 5.162 0.324 . . 66 100 ARG N 4.797 0.040 . . 67 102 MET N 4.612 0.270 . . 68 103 GLU N 4.718 0.182 . . 69 104 THR N 4.316 0.057 . . 70 105 THR N 4.267 0.144 . . 71 106 VAL N 3.804 0.163 . . 72 107 ASN N 4.597 0.041 . . 73 108 ALA N 4.937 0.199 . . 74 109 HIS N 5.814 0.134 . . 75 110 GLN N 6.753 0.193 . . 76 111 ILE N 8.162 0.090 . . 77 112 LEU N 11.372 0.160 . . 78 114 LYS N 6.615 0.020 . . 79 115 VAL N 9.523 0.195 . . 80 116 LEU N 14.247 2.206 . . 81 117 HIS N 5.715 0.177 . . 82 118 LYS N 7.216 0.176 . . 83 119 ARG N 6.019 0.017 . . 84 120 THR N 3.974 0.045 . . 85 121 LEU N 6.178 0.408 . . 86 122 GLY N 4.118 0.075 . . 87 123 LEU N 7.226 0.223 . . 88 124 SER N 8.847 0.013 . . 89 125 ALA N 10.788 0.012 . . 90 126 MET N 7.202 0.198 . . 91 127 SER N 9.162 0.404 . . 92 158 GLY N 13.665 1.455 . . 93 159 GLY N 9.656 0.044 . . 94 160 SER N 6.451 0.027 . . 95 161 ARG N 6.501 0.036 . . 96 163 LYS N 4.834 0.019 . . 97 164 LEU N 4.295 0.014 . . 98 165 VAL N 4.671 0.266 . . 99 166 SER N 4.551 0.173 . . 100 167 ALA N 3.714 0.096 . . 101 169 ALA N 3.845 0.112 . . 102 171 SER N 3.909 0.064 . . 103 172 ASN N 3.810 0.159 . . 104 173 PHE N 4.061 0.186 . . 105 174 PHE N 4.090 0.318 . . 106 175 THR N 3.001 0.095 . . 107 176 SER N 2.099 0.058 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'Hepatitis B virus X protein (HBx)' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 20000000 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 25 ALA -0.183 0.021 26 ALA -0.366 0.001 27 ARG -0.116 0.016 28 LEU -0.226 0.089 29 SER -0.306 0.024 30 SER -0.106 0.027 31 GLN -0.065 0.021 32 LEU -0.228 0.043 33 ASP -0.063 0.011 35 ALA -0.055 0.000 36 ARG 0.116 0.094 37 ASP -0.103 0.009 38 VAL 0.069 0.040 39 LEU -0.065 0.041 40 SER -0.039 0.027 41 LEU -0.093 0.012 42 ARG -0.086 0.034 44 VAL -0.275 0.014 45 GLY -0.352 0.045 46 ALA -0.377 0.013 47 GLU -0.449 0.003 48 SER -0.363 0.071 49 ARG -0.350 0.008 50 GLY -0.405 0.036 51 ARG -0.303 0.057 53 PHE -0.227 0.027 54 SER -0.062 0.075 55 GLY -0.454 0.058 56 SER -0.225 0.018 57 LEU -0.397 0.070 58 GLY -0.326 0.007 59 THR -0.436 0.068 60 LEU -0.485 0.043 61 SER -0.491 0.066 62 SER -0.423 0.026 64 SER -0.388 0.012 66 SER -0.341 0.006 67 ALA -0.498 0.044 68 VAL -0.188 0.081 70 THR -0.453 0.041 71 ASP -0.076 0.000 72 HIS -0.325 0.053 73 GLY -0.310 0.024 74 ALA -0.166 0.009 75 HIS -0.185 0.021 76 LEU -0.187 0.012 77 SER -0.187 0.016 78 LEU -0.106 0.004 79 ARG 0.155 0.050 80 GLY -0.155 0.016 81 LEU 0.059 0.125 83 VAL -0.038 0.043 84 SER -0.060 0.030 85 ALA -0.088 0.047 86 PHE -0.096 0.119 87 SER 0.016 0.022 88 SER -0.088 0.020 89 ALA -0.098 0.047 90 GLY -0.378 0.064 92 SER -0.064 0.050 93 ALA -0.099 0.062 94 LEU 0.079 0.014 95 ARG -0.002 0.013 96 PHE 0.028 0.005 97 THR -0.076 0.110 98 SER -0.050 0.055 99 ALA -0.077 0.003 100 ARG -0.074 0.026 101 ARG -0.053 0.002 102 MET -0.073 0.002 103 GLU -0.092 0.005 104 THR -0.166 0.006 105 THR -0.061 0.006 106 VAL -0.156 0.033 107 ASN -0.155 0.054 108 ALA -0.092 0.031 109 HIS -0.137 0.068 110 GLN -0.214 0.003 111 ILE -0.058 0.022 112 LEU -0.033 0.116 114 LYS -0.154 0.012 115 VAL -0.177 0.084 116 LEU 0.039 0.222 117 HIS -0.088 0.025 118 LYS -0.141 0.028 119 ARG -0.084 0.010 120 THR -0.173 0.035 121 LEU -0.096 0.013 122 GLY -0.206 0.013 123 LEU 0.072 0.023 124 SER 0.155 0.065 125 ALA 0.380 0.157 126 MET 0.114 0.077 127 SER 0.292 0.114 145 GLU -0.485 0.009 158 GLY 0.375 0.235 159 GLY 0.259 0.028 160 SER -0.180 0.007 161 ARG -0.011 0.015 162 HIS 0.369 0.002 163 LYS -0.077 0.005 164 LEU -0.345 0.101 165 VAL -0.188 0.086 166 SER 0.019 0.062 167 ALA -0.155 0.157 169 ALA -0.318 0.113 171 SER -0.199 0.112 172 ASN -0.157 0.025 173 PHE -0.095 0.007 174 PHE -0.167 0.059 175 THR -0.478 0.161 176 SER -0.691 0.021 stop_ save_ save_heteronuclear_noe_list_2 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 900 _Mol_system_component_name 'Hepatitis B virus X protein (HBx)' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 20000000 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 25 ALA 0.216 0.010 26 ALA 0.162 0.042 27 ARG 0.332 0.025 28 LEU 0.223 0.039 29 SER 0.216 0.007 30 SER 0.226 0.011 31 GLN 0.346 0.023 32 LEU 0.274 0.012 33 ASP 0.251 0.010 35 ALA 0.321 0.013 36 ARG 0.431 0.064 37 ASP 0.309 0.019 38 VAL 0.412 0.021 39 LEU 0.348 0.032 40 SER 0.375 0.001 41 LEU 0.287 0.033 42 ARG 0.340 0.075 44 VAL 0.225 0.026 45 GLY 0.207 0.052 46 ALA 0.232 0.056 47 GLU 0.057 0.035 48 SER 0.147 0.017 49 ARG 0.181 0.022 50 GLY 0.106 0.067 51 ARG 0.185 0.016 53 PHE 0.178 0.044 54 SER 0.308 0.004 55 GLY 0.152 0.003 56 SER 0.310 0.003 57 LEU 0.136 0.013 58 GLY 0.104 0.015 59 THR 0.171 0.041 60 LEU 0.028 0.038 61 SER 0.077 0.018 62 SER 0.152 0.048 64 SER 0.153 0.008 66 SER 0.031 0.037 67 ALA 0.080 0.095 68 VAL 0.225 0.029 70 THR 0.093 0.034 71 ASP 0.297 0.011 72 HIS 0.120 0.010 73 GLY 0.164 0.012 74 ALA 0.296 0.072 75 HIS 0.155 0.065 76 LEU 0.245 0.018 77 SER 0.259 0.050 78 LEU 0.281 0.035 79 ARG 0.258 0.018 80 GLY 0.325 0.031 81 LEU 0.426 0.022 83 VAL 0.299 0.000 84 SER 0.342 0.003 85 ALA 0.447 0.045 86 PHE 0.263 0.037 87 SER 0.316 0.011 88 SER 0.298 0.036 89 ALA 0.381 0.047 90 GLY 0.209 0.062 92 SER 0.170 0.020 93 ALA 0.446 0.052 94 LEU 0.222 0.009 95 ARG 0.306 0.006 96 PHE 0.424 0.028 97 THR 0.384 0.068 98 SER 0.384 0.001 99 ALA 0.424 0.014 100 ARG 0.301 0.003 101 ARG 0.325 0.022 102 MET 0.260 0.079 103 GLU 0.186 0.010 104 THR 0.211 0.073 105 THR 0.277 0.004 106 VAL 0.281 0.073 107 ASN 0.179 0.005 108 ALA 0.308 0.030 109 HIS 0.275 0.003 110 GLN 0.194 0.024 111 ILE 0.210 0.032 112 LEU 0.219 0.099 114 LYS 0.232 0.043 115 VAL 0.233 0.027 116 LEU 0.551 0.146 117 HIS 0.281 0.035 118 LYS 0.288 0.080 119 ARG 0.349 0.062 120 THR 0.333 0.034 121 LEU 0.333 0.044 122 GLY 0.257 0.004 123 LEU 0.434 0.014 124 SER 0.365 0.014 125 ALA 0.483 0.001 126 MET 0.406 0.046 127 SER 0.424 0.181 145 GLU 0.041 0.032 158 GLY 0.700 0.114 159 GLY 0.530 0.129 160 SER 0.345 0.011 161 ARG 0.355 0.013 162 HIS 0.535 0.002 163 LYS 0.348 0.014 164 LEU 0.172 0.012 165 VAL 0.222 0.028 166 SER 0.321 0.051 167 ALA 0.147 0.021 169 ALA 0.304 0.052 171 SER 0.188 0.001 172 ASN 0.290 0.036 173 PHE 0.352 0.005 174 PHE 0.229 0.064 175 THR 0.020 0.018 176 SER -0.040 0.023 stop_ save_