data_25801 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; UBL domain of the human DNA damage-inducible protein homolog 2 ; _BMRB_accession_number 25801 _BMRB_flat_file_name bmr25801.str _Entry_type original _Submission_date 2015-09-08 _Accession_date 2015-09-08 _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 Siva Monika . . 2 'Grantz Saskova' Klara . . 3 Veverka Vaclav . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 471 "13C chemical shifts" 332 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-15 update author 'update entry citation' 2016-07-13 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25803 'UBL domain of the yeast DNA damage-inducible protein homolog 1' stop_ _Original_release_date 2016-07-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Human DNA-Damage-Inducible 2 Protein Is Structurally and Functionally Distinct from Its Yeast Ortholog ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27461074 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Siva Monika . . 2 Svoboda Michal . . 3 Veverka Vaclav . . 4 Trempe Jean-Francois F. . 5 Hofmann Kay . . 6 Kozisek Milan . . 7 Hexnerova Rozalie . . 8 Sedlak Frantisek . . 9 Belza Jan . . 10 Brynda Jiri . . 11 Sacha Pavel . . 12 Hubalek Martin . . 13 Starkova Jana . . 14 Flaisigova Iva . . 15 Konvalinka Jan . . 16 Saskova 'Klara Grantz' G. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 30443 _Page_last 30443 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UBL domain of the human DNA damage-inducible protein homolog 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 11142.557 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; MGHHHHHHHHHHSSGHIEGR HMLLTVYCVRRDLSEVTFSL QVDADFELHNFRALCELESG IPAAESQIVYAERPLTDNHR SLASYGLKDGDVVILRQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 80 MET 2 81 GLY 3 82 HIS 4 83 HIS 5 84 HIS 6 85 HIS 7 86 HIS 8 87 HIS 9 88 HIS 10 89 HIS 11 90 HIS 12 91 HIS 13 92 SER 14 93 SER 15 94 GLY 16 95 HIS 17 96 ILE 18 97 GLU 19 98 GLY 20 99 ARG 21 100 HIS 22 101 MET 23 102 LEU 24 103 LEU 25 104 THR 26 105 VAL 27 106 TYR 28 107 CYS 29 108 VAL 30 109 ARG 31 110 ARG 32 111 ASP 33 112 LEU 34 113 SER 35 114 GLU 36 115 VAL 37 116 THR 38 117 PHE 39 118 SER 40 119 LEU 41 120 GLN 42 121 VAL 43 122 ASP 44 123 ALA 45 124 ASP 46 125 PHE 47 126 GLU 48 127 LEU 49 128 HIS 50 129 ASN 51 130 PHE 52 131 ARG 53 132 ALA 54 133 LEU 55 134 CYS 56 135 GLU 57 136 LEU 58 137 GLU 59 138 SER 60 139 GLY 61 140 ILE 62 141 PRO 63 142 ALA 64 143 ALA 65 144 GLU 66 145 SER 67 146 GLN 68 147 ILE 69 148 VAL 70 149 TYR 71 150 ALA 72 151 GLU 73 152 ARG 74 153 PRO 75 154 LEU 76 155 THR 77 156 ASP 78 157 ASN 79 158 HIS 80 159 ARG 81 160 SER 82 161 LEU 83 162 ALA 84 163 SER 85 164 TYR 86 165 GLY 87 166 LEU 88 167 LYS 89 168 ASP 90 169 GLY 91 170 ASP 92 171 VAL 93 172 VAL 94 173 ILE 95 174 LEU 96 175 ARG 97 176 GLN 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 $entity 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 $entity 'recombinant technology' . Escherichia coli . n/a 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 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $entity 0.4 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_YASARA _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address YASARA . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.1 . M pH 6.5 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HCCH-TOCSY' '3D HNCO' 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 entity _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 95 16 HIS C C 175.478 0.200 1 2 95 16 HIS CA C 56.175 0.200 1 3 95 16 HIS CB C 30.684 0.200 1 4 96 17 ILE H H 8.059 0.020 1 5 96 17 ILE HA H 3.996 0.020 1 6 96 17 ILE HB H 1.639 0.020 1 7 96 17 ILE HG12 H 0.988 0.020 2 8 96 17 ILE HG13 H 1.290 0.020 2 9 96 17 ILE HG2 H 0.717 0.020 1 10 96 17 ILE HD1 H 0.706 0.020 1 11 96 17 ILE C C 176.138 0.200 1 12 96 17 ILE CA C 60.581 0.200 1 13 96 17 ILE CB C 38.432 0.200 1 14 96 17 ILE CG1 C 26.843 0.200 1 15 96 17 ILE CG2 C 17.043 0.200 1 16 96 17 ILE CD1 C 12.360 0.200 1 17 96 17 ILE N N 123.708 0.200 1 18 97 18 GLU H H 8.444 0.020 1 19 97 18 GLU HA H 4.513 0.020 1 20 97 18 GLU HB2 H 1.931 0.020 2 21 97 18 GLU HB3 H 1.827 0.020 2 22 97 18 GLU HG2 H 2.161 0.020 2 23 97 18 GLU HG3 H 2.161 0.020 2 24 97 18 GLU C C 177.116 0.200 1 25 97 18 GLU CA C 56.439 0.200 1 26 97 18 GLU CB C 30.017 0.200 1 27 97 18 GLU CG C 35.950 0.200 1 28 97 18 GLU N N 125.458 0.200 1 29 98 19 GLY H H 8.382 0.020 1 30 98 19 GLY HA2 H 3.819 0.020 2 31 98 19 GLY HA3 H 3.819 0.020 2 32 98 19 GLY C C 174.104 0.200 1 33 98 19 GLY CA C 45.110 0.200 1 34 98 19 GLY N N 110.618 0.200 1 35 99 20 ARG H H 8.133 0.020 1 36 99 20 ARG HA H 4.202 0.020 1 37 99 20 ARG HB2 H 1.534 0.020 2 38 99 20 ARG HB3 H 1.624 0.020 2 39 99 20 ARG HG2 H 1.334 0.020 2 40 99 20 ARG HG3 H 1.420 0.020 2 41 99 20 ARG HD2 H 3.012 0.020 2 42 99 20 ARG HD3 H 3.012 0.020 2 43 99 20 ARG C C 175.895 0.200 1 44 99 20 ARG CA C 55.354 0.200 1 45 99 20 ARG CB C 30.396 0.200 1 46 99 20 ARG CG C 26.657 0.200 1 47 99 20 ARG CD C 42.889 0.200 1 48 99 20 ARG N N 120.507 0.200 1 49 100 21 HIS H H 7.957 0.020 1 50 100 21 HIS HA H 4.867 0.020 1 51 100 21 HIS HB2 H 2.800 0.020 2 52 100 21 HIS HB3 H 2.800 0.020 2 53 100 21 HIS HD2 H 6.749 0.020 1 54 100 21 HIS HE1 H 7.853 0.020 1 55 100 21 HIS C C 174.942 0.200 1 56 100 21 HIS CA C 55.327 0.200 1 57 100 21 HIS CB C 31.634 0.200 1 58 100 21 HIS N N 119.799 0.200 1 59 101 22 MET H H 8.809 0.020 1 60 101 22 MET HA H 4.538 0.020 1 61 101 22 MET HB2 H 1.723 0.020 2 62 101 22 MET HB3 H 1.611 0.020 2 63 101 22 MET HG2 H 2.111 0.020 2 64 101 22 MET HG3 H 2.020 0.020 2 65 101 22 MET HE H 1.514 0.020 1 66 101 22 MET C C 172.869 0.200 1 67 101 22 MET CA C 54.364 0.200 1 68 101 22 MET CB C 35.740 0.200 1 69 101 22 MET CG C 30.731 0.200 1 70 101 22 MET CE C 17.164 0.200 1 71 101 22 MET N N 119.170 0.200 1 72 102 23 LEU H H 9.121 0.020 1 73 102 23 LEU HA H 4.917 0.020 1 74 102 23 LEU HB2 H 1.724 0.020 1 75 102 23 LEU HB3 H 1.338 0.020 1 76 102 23 LEU HG H 1.316 0.020 1 77 102 23 LEU HD1 H 0.720 0.020 2 78 102 23 LEU HD2 H 0.712 0.020 2 79 102 23 LEU C C 176.723 0.200 1 80 102 23 LEU CA C 53.679 0.200 1 81 102 23 LEU CB C 42.939 0.200 1 82 102 23 LEU CG C 27.097 0.200 1 83 102 23 LEU CD1 C 24.696 0.200 2 84 102 23 LEU CD2 C 23.930 0.200 2 85 102 23 LEU N N 125.664 0.200 1 86 103 24 LEU H H 8.747 0.020 1 87 103 24 LEU HA H 4.978 0.020 1 88 103 24 LEU HB2 H 1.469 0.020 1 89 103 24 LEU HB3 H 1.057 0.020 1 90 103 24 LEU HG H 1.282 0.020 1 91 103 24 LEU HD1 H 0.648 0.020 2 92 103 24 LEU HD2 H 0.325 0.020 2 93 103 24 LEU C C 176.426 0.200 1 94 103 24 LEU CA C 52.540 0.200 1 95 103 24 LEU CB C 44.909 0.200 1 96 103 24 LEU CG C 26.880 0.200 1 97 103 24 LEU CD1 C 24.428 0.200 2 98 103 24 LEU CD2 C 27.002 0.200 2 99 103 24 LEU N N 125.678 0.200 1 100 104 25 THR H H 8.416 0.020 1 101 104 25 THR HA H 4.417 0.020 1 102 104 25 THR HB H 3.802 0.020 1 103 104 25 THR HG2 H 0.879 0.020 1 104 104 25 THR C C 171.950 0.200 1 105 104 25 THR CA C 62.365 0.200 1 106 104 25 THR CB C 69.608 0.200 1 107 104 25 THR CG2 C 21.267 0.200 1 108 104 25 THR N N 119.440 0.200 1 109 105 26 VAL H H 8.956 0.020 1 110 105 26 VAL HA H 4.559 0.020 1 111 105 26 VAL HB H 0.538 0.020 1 112 105 26 VAL HG1 H 0.465 0.020 2 113 105 26 VAL HG2 H 0.525 0.020 2 114 105 26 VAL C C 174.685 0.200 1 115 105 26 VAL CA C 60.031 0.200 1 116 105 26 VAL CB C 31.897 0.200 1 117 105 26 VAL CG1 C 22.814 0.200 2 118 105 26 VAL CG2 C 20.421 0.200 2 119 105 26 VAL N N 127.426 0.200 1 120 106 27 TYR H H 8.693 0.020 1 121 106 27 TYR HA H 4.801 0.020 1 122 106 27 TYR HB2 H 2.763 0.020 2 123 106 27 TYR HB3 H 2.763 0.020 2 124 106 27 TYR HD1 H 6.929 0.020 3 125 106 27 TYR HD2 H 6.929 0.020 3 126 106 27 TYR HE1 H 6.569 0.020 3 127 106 27 TYR HE2 H 6.569 0.020 3 128 106 27 TYR C C 174.460 0.200 1 129 106 27 TYR CA C 55.620 0.200 1 130 106 27 TYR CB C 38.878 0.200 1 131 106 27 TYR N N 127.513 0.200 1 132 107 28 CYS H H 8.931 0.020 1 133 107 28 CYS HA H 5.482 0.020 1 134 107 28 CYS HB2 H 2.740 0.020 2 135 107 28 CYS HB3 H 2.740 0.020 2 136 107 28 CYS C C 174.009 0.200 1 137 107 28 CYS CA C 56.129 0.200 1 138 107 28 CYS CB C 28.919 0.200 1 139 107 28 CYS N N 124.214 0.200 1 140 108 29 VAL H H 8.619 0.020 1 141 108 29 VAL HA H 4.487 0.020 1 142 108 29 VAL HB H 1.841 0.020 1 143 108 29 VAL HG1 H 0.913 0.020 2 144 108 29 VAL HG2 H 0.743 0.020 2 145 108 29 VAL C C 176.608 0.200 1 146 108 29 VAL CA C 61.041 0.200 1 147 108 29 VAL CB C 33.145 0.200 1 148 108 29 VAL CG1 C 20.840 0.200 2 149 108 29 VAL CG2 C 20.055 0.200 2 150 108 29 VAL N N 127.025 0.200 1 151 109 30 ARG H H 8.626 0.020 1 152 109 30 ARG HA H 4.353 0.020 1 153 109 30 ARG HB2 H 1.956 0.020 2 154 109 30 ARG HB3 H 1.870 0.020 2 155 109 30 ARG HG2 H 1.546 0.020 2 156 109 30 ARG HG3 H 1.317 0.020 2 157 109 30 ARG HD2 H 3.063 0.020 2 158 109 30 ARG HD3 H 3.063 0.020 2 159 109 30 ARG C C 178.919 0.200 1 160 109 30 ARG CA C 56.248 0.200 1 161 109 30 ARG CB C 31.000 0.200 1 162 109 30 ARG CG C 29.013 0.200 1 163 109 30 ARG CD C 43.038 0.200 1 164 109 30 ARG N N 124.574 0.200 1 165 110 31 ARG H H 8.600 0.020 1 166 110 31 ARG HA H 3.975 0.020 1 167 110 31 ARG HB2 H 1.636 0.020 2 168 110 31 ARG HB3 H 1.636 0.020 2 169 110 31 ARG HG2 H 1.538 0.020 2 170 110 31 ARG HG3 H 1.538 0.020 2 171 110 31 ARG HD2 H 3.104 0.020 2 172 110 31 ARG HD3 H 3.104 0.020 2 173 110 31 ARG C C 176.883 0.200 1 174 110 31 ARG CA C 58.415 0.200 1 175 110 31 ARG CB C 29.350 0.200 1 176 110 31 ARG CG C 26.927 0.200 1 177 110 31 ARG CD C 42.686 0.200 1 178 110 31 ARG N N 121.981 0.200 1 179 111 32 ASP H H 7.618 0.020 1 180 111 32 ASP HA H 4.328 0.020 1 181 111 32 ASP HB2 H 2.434 0.020 2 182 111 32 ASP HB3 H 2.990 0.020 2 183 111 32 ASP C C 176.670 0.200 1 184 111 32 ASP CA C 53.132 0.200 1 185 111 32 ASP CB C 39.193 0.200 1 186 111 32 ASP N N 115.829 0.200 1 187 112 33 LEU H H 8.031 0.020 1 188 112 33 LEU HA H 3.784 0.020 1 189 112 33 LEU HB2 H 2.208 0.020 2 190 112 33 LEU HB3 H 1.491 0.020 2 191 112 33 LEU HG H 1.404 0.020 1 192 112 33 LEU HD1 H 0.806 0.020 2 193 112 33 LEU HD2 H 0.763 0.020 2 194 112 33 LEU C C 177.162 0.200 1 195 112 33 LEU CA C 56.737 0.200 1 196 112 33 LEU CB C 38.223 0.200 1 197 112 33 LEU CG C 26.921 0.200 1 198 112 33 LEU CD1 C 24.766 0.200 2 199 112 33 LEU CD2 C 22.384 0.200 2 200 112 33 LEU N N 113.260 0.200 1 201 113 34 SER H H 8.226 0.020 1 202 113 34 SER HA H 4.267 0.020 1 203 113 34 SER HB2 H 3.870 0.020 2 204 113 34 SER HB3 H 3.870 0.020 2 205 113 34 SER C C 173.074 0.200 1 206 113 34 SER CA C 58.927 0.200 1 207 113 34 SER CB C 63.590 0.200 1 208 113 34 SER N N 116.989 0.200 1 209 114 35 GLU H H 8.278 0.020 1 210 114 35 GLU HA H 5.445 0.020 1 211 114 35 GLU HB2 H 1.966 0.020 2 212 114 35 GLU HB3 H 1.815 0.020 2 213 114 35 GLU HG2 H 2.257 0.020 2 214 114 35 GLU HG3 H 2.155 0.020 2 215 114 35 GLU C C 176.914 0.200 1 216 114 35 GLU CA C 54.456 0.200 1 217 114 35 GLU CB C 33.419 0.200 1 218 114 35 GLU CG C 36.279 0.200 1 219 114 35 GLU N N 118.423 0.200 1 220 115 36 VAL H H 8.591 0.020 1 221 115 36 VAL HA H 4.476 0.020 1 222 115 36 VAL HB H 2.042 0.020 1 223 115 36 VAL HG1 H 0.934 0.020 2 224 115 36 VAL HG2 H 0.913 0.020 2 225 115 36 VAL C C 173.316 0.200 1 226 115 36 VAL CA C 60.669 0.200 1 227 115 36 VAL CB C 35.186 0.200 1 228 115 36 VAL CG1 C 20.419 0.200 2 229 115 36 VAL CG2 C 20.163 0.200 2 230 115 36 VAL N N 120.536 0.200 1 231 116 37 THR H H 8.286 0.020 1 232 116 37 THR HA H 5.472 0.020 1 233 116 37 THR HB H 3.717 0.020 1 234 116 37 THR HG2 H 0.838 0.020 1 235 116 37 THR C C 173.805 0.200 1 236 116 37 THR CA C 59.714 0.200 1 237 116 37 THR CB C 70.772 0.200 1 238 116 37 THR CG2 C 20.341 0.200 1 239 116 37 THR N N 120.039 0.200 1 240 117 38 PHE H H 8.370 0.020 1 241 117 38 PHE HA H 4.894 0.020 1 242 117 38 PHE HB2 H 3.044 0.020 2 243 117 38 PHE HB3 H 3.130 0.020 2 244 117 38 PHE HD1 H 6.766 0.020 3 245 117 38 PHE HD2 H 6.766 0.020 3 246 117 38 PHE HE1 H 6.893 0.020 3 247 117 38 PHE HE2 H 6.893 0.020 3 248 117 38 PHE HZ H 6.830 0.020 1 249 117 38 PHE C C 172.895 0.200 1 250 117 38 PHE CA C 55.477 0.200 1 251 117 38 PHE CB C 40.117 0.200 1 252 117 38 PHE N N 121.867 0.200 1 253 118 39 SER H H 8.637 0.020 1 254 118 39 SER HA H 5.466 0.020 1 255 118 39 SER HB2 H 3.599 0.020 2 256 118 39 SER HB3 H 3.666 0.020 2 257 118 39 SER C C 173.624 0.200 1 258 118 39 SER CA C 56.619 0.200 1 259 118 39 SER CB C 65.014 0.200 1 260 118 39 SER N N 114.737 0.200 1 261 119 40 LEU H H 9.007 0.020 1 262 119 40 LEU HA H 4.697 0.020 1 263 119 40 LEU HB2 H 1.425 0.020 2 264 119 40 LEU HB3 H 1.488 0.020 2 265 119 40 LEU HG H 1.539 0.020 1 266 119 40 LEU HD1 H 0.876 0.020 2 267 119 40 LEU HD2 H 0.782 0.020 2 268 119 40 LEU C C 174.640 0.200 1 269 119 40 LEU CA C 53.535 0.200 1 270 119 40 LEU CB C 46.771 0.200 1 271 119 40 LEU CG C 26.861 0.200 1 272 119 40 LEU CD1 C 24.791 0.200 2 273 119 40 LEU CD2 C 26.914 0.200 2 274 119 40 LEU N N 123.080 0.200 1 275 120 41 GLN H H 8.479 0.020 1 276 120 41 GLN HA H 5.006 0.020 1 277 120 41 GLN HB2 H 1.813 0.020 2 278 120 41 GLN HB3 H 1.727 0.020 2 279 120 41 GLN HG2 H 1.973 0.020 2 280 120 41 GLN HG3 H 1.973 0.020 2 281 120 41 GLN HE21 H 7.168 0.020 2 282 120 41 GLN HE22 H 6.573 0.020 2 283 120 41 GLN C C 175.709 0.200 1 284 120 41 GLN CA C 54.483 0.200 1 285 120 41 GLN CB C 29.297 0.200 1 286 120 41 GLN CG C 33.947 0.200 1 287 120 41 GLN N N 123.739 0.200 1 288 120 41 GLN NE2 N 111.281 0.200 1 289 121 42 VAL H H 8.846 0.020 1 290 121 42 VAL HA H 4.382 0.020 1 291 121 42 VAL HB H 1.615 0.020 1 292 121 42 VAL HG1 H 0.713 0.020 2 293 121 42 VAL HG2 H 0.500 0.020 2 294 121 42 VAL C C 173.572 0.200 1 295 121 42 VAL CA C 58.134 0.200 1 296 121 42 VAL CB C 35.283 0.200 1 297 121 42 VAL CG1 C 21.766 0.200 2 298 121 42 VAL CG2 C 19.131 0.200 2 299 121 42 VAL N N 118.873 0.200 1 300 122 43 ASP H H 6.289 0.020 1 301 122 43 ASP HA H 4.466 0.020 1 302 122 43 ASP HB2 H 2.120 0.020 2 303 122 43 ASP HB3 H 1.991 0.020 2 304 122 43 ASP C C 176.911 0.200 1 305 122 43 ASP CA C 52.878 0.200 1 306 122 43 ASP CB C 41.943 0.200 1 307 122 43 ASP N N 121.269 0.200 1 308 123 44 ALA H H 8.468 0.020 1 309 123 44 ALA HA H 3.777 0.020 1 310 123 44 ALA HB H 1.246 0.020 1 311 123 44 ALA C C 177.018 0.200 1 312 123 44 ALA CA C 54.607 0.200 1 313 123 44 ALA CB C 18.923 0.200 1 314 123 44 ALA N N 126.066 0.200 1 315 124 45 ASP H H 8.342 0.020 1 316 124 45 ASP HA H 4.662 0.020 1 317 124 45 ASP HB2 H 2.694 0.020 2 318 124 45 ASP HB3 H 2.588 0.020 2 319 124 45 ASP C C 177.275 0.200 1 320 124 45 ASP CA C 53.813 0.200 1 321 124 45 ASP CB C 40.198 0.200 1 322 124 45 ASP N N 112.700 0.200 1 323 125 46 PHE H H 7.806 0.020 1 324 125 46 PHE HA H 4.511 0.020 1 325 125 46 PHE HB2 H 2.899 0.020 2 326 125 46 PHE HB3 H 3.485 0.020 2 327 125 46 PHE HD1 H 7.128 0.020 3 328 125 46 PHE HD2 H 7.128 0.020 3 329 125 46 PHE HE1 H 7.389 0.020 3 330 125 46 PHE HE2 H 7.389 0.020 3 331 125 46 PHE HZ H 7.328 0.020 1 332 125 46 PHE C C 176.641 0.200 1 333 125 46 PHE CA C 56.208 0.200 1 334 125 46 PHE CB C 38.709 0.200 1 335 125 46 PHE N N 121.605 0.200 1 336 126 47 GLU H H 8.452 0.020 1 337 126 47 GLU HA H 4.217 0.020 1 338 126 47 GLU HB2 H 2.255 0.020 2 339 126 47 GLU HB3 H 1.653 0.020 2 340 126 47 GLU HG2 H 2.387 0.020 2 341 126 47 GLU HG3 H 2.131 0.020 2 342 126 47 GLU C C 179.341 0.200 1 343 126 47 GLU CA C 55.994 0.200 1 344 126 47 GLU CB C 30.893 0.200 1 345 126 47 GLU CG C 36.894 0.200 1 346 126 47 GLU N N 120.745 0.200 1 347 127 48 LEU H H 8.395 0.020 1 348 127 48 LEU HA H 4.004 0.020 1 349 127 48 LEU HB2 H 2.256 0.020 2 350 127 48 LEU HB3 H 1.634 0.020 2 351 127 48 LEU HG H 1.647 0.020 1 352 127 48 LEU HD1 H 0.781 0.020 2 353 127 48 LEU HD2 H 0.641 0.020 2 354 127 48 LEU C C 179.438 0.200 1 355 127 48 LEU CA C 58.474 0.200 1 356 127 48 LEU CB C 43.065 0.200 1 357 127 48 LEU CG C 26.878 0.200 1 358 127 48 LEU CD1 C 23.713 0.200 2 359 127 48 LEU CD2 C 25.603 0.200 2 360 127 48 LEU N N 123.653 0.200 1 361 128 49 HIS H H 8.911 0.020 1 362 128 49 HIS HA H 4.001 0.020 1 363 128 49 HIS HB2 H 2.819 0.020 2 364 128 49 HIS HB3 H 3.020 0.020 2 365 128 49 HIS HD2 H 6.801 0.020 1 366 128 49 HIS HE1 H 7.780 0.020 1 367 128 49 HIS C C 177.697 0.200 1 368 128 49 HIS CA C 59.863 0.200 1 369 128 49 HIS CB C 29.995 0.200 1 370 128 49 HIS N N 116.073 0.200 1 371 129 50 ASN H H 6.621 0.020 1 372 129 50 ASN HA H 4.298 0.020 1 373 129 50 ASN HB2 H 2.032 0.020 2 374 129 50 ASN HB3 H 2.175 0.020 2 375 129 50 ASN HD21 H 6.985 0.020 2 376 129 50 ASN HD22 H 6.727 0.020 2 377 129 50 ASN C C 177.857 0.200 1 378 129 50 ASN CA C 55.210 0.200 1 379 129 50 ASN CB C 38.223 0.200 1 380 129 50 ASN N N 118.835 0.200 1 381 129 50 ASN ND2 N 111.170 0.200 1 382 130 51 PHE H H 7.787 0.020 1 383 130 51 PHE HA H 4.265 0.020 1 384 130 51 PHE HB2 H 3.034 0.020 2 385 130 51 PHE HB3 H 3.361 0.020 2 386 130 51 PHE HD1 H 6.925 0.020 3 387 130 51 PHE HD2 H 6.925 0.020 3 388 130 51 PHE HE1 H 6.721 0.020 3 389 130 51 PHE HE2 H 6.721 0.020 3 390 130 51 PHE HZ H 6.883 0.020 1 391 130 51 PHE C C 177.165 0.200 1 392 130 51 PHE CA C 61.025 0.200 1 393 130 51 PHE CB C 39.731 0.200 1 394 130 51 PHE N N 121.265 0.200 1 395 131 52 ARG H H 8.896 0.020 1 396 131 52 ARG HA H 3.468 0.020 1 397 131 52 ARG HB2 H 1.813 0.020 2 398 131 52 ARG HB3 H 1.703 0.020 2 399 131 52 ARG HG2 H 1.708 0.020 2 400 131 52 ARG HG3 H 1.425 0.020 2 401 131 52 ARG HD2 H 3.269 0.020 2 402 131 52 ARG HD3 H 3.045 0.020 2 403 131 52 ARG C C 178.925 0.200 1 404 131 52 ARG CA C 59.998 0.200 1 405 131 52 ARG CB C 30.125 0.200 1 406 131 52 ARG CG C 27.906 0.200 1 407 131 52 ARG CD C 42.960 0.200 1 408 131 52 ARG N N 119.461 0.200 1 409 132 53 ALA H H 7.396 0.020 1 410 132 53 ALA HA H 4.075 0.020 1 411 132 53 ALA HB H 1.422 0.020 1 412 132 53 ALA C C 180.711 0.200 1 413 132 53 ALA CA C 54.921 0.200 1 414 132 53 ALA CB C 17.632 0.200 1 415 132 53 ALA N N 121.581 0.200 1 416 133 54 LEU H H 7.583 0.020 1 417 133 54 LEU HA H 4.048 0.020 1 418 133 54 LEU HB2 H 1.572 0.020 2 419 133 54 LEU HB3 H 1.798 0.020 2 420 133 54 LEU HG H 1.787 0.020 1 421 133 54 LEU HD1 H 0.987 0.020 2 422 133 54 LEU HD2 H 0.898 0.020 2 423 133 54 LEU C C 179.789 0.200 1 424 133 54 LEU CA C 57.419 0.200 1 425 133 54 LEU CB C 42.038 0.200 1 426 133 54 LEU CG C 26.511 0.200 1 427 133 54 LEU CD1 C 25.085 0.200 2 428 133 54 LEU CD2 C 23.450 0.200 2 429 133 54 LEU N N 119.857 0.200 1 430 134 55 CYS H H 7.861 0.020 1 431 134 55 CYS HA H 3.823 0.020 1 432 134 55 CYS HB2 H 2.309 0.020 2 433 134 55 CYS HB3 H 2.882 0.020 2 434 134 55 CYS C C 178.409 0.200 1 435 134 55 CYS CA C 64.044 0.200 1 436 134 55 CYS CB C 26.908 0.200 1 437 134 55 CYS N N 115.570 0.200 1 438 135 56 GLU H H 7.791 0.020 1 439 135 56 GLU HA H 3.934 0.020 1 440 135 56 GLU HB2 H 1.998 0.020 2 441 135 56 GLU HB3 H 1.935 0.020 2 442 135 56 GLU HG2 H 2.057 0.020 2 443 135 56 GLU HG3 H 1.865 0.020 2 444 135 56 GLU C C 178.661 0.200 1 445 135 56 GLU CA C 58.914 0.200 1 446 135 56 GLU CB C 29.255 0.200 1 447 135 56 GLU CG C 35.864 0.200 1 448 135 56 GLU N N 124.038 0.200 1 449 136 57 LEU H H 7.440 0.020 1 450 136 57 LEU HA H 3.857 0.020 1 451 136 57 LEU HB2 H 1.684 0.020 2 452 136 57 LEU HB3 H 1.570 0.020 2 453 136 57 LEU HG H 1.547 0.020 1 454 136 57 LEU HD1 H 0.761 0.020 2 455 136 57 LEU HD2 H 0.795 0.020 2 456 136 57 LEU C C 179.347 0.200 1 457 136 57 LEU CA C 57.596 0.200 1 458 136 57 LEU CB C 41.456 0.200 1 459 136 57 LEU CG C 26.627 0.200 1 460 136 57 LEU CD1 C 23.647 0.200 1 461 136 57 LEU CD2 C 24.161 0.200 1 462 136 57 LEU N N 120.552 0.200 1 463 137 58 GLU H H 7.363 0.020 1 464 137 58 GLU HA H 3.811 0.020 1 465 137 58 GLU HB2 H 0.859 0.020 2 466 137 58 GLU HB3 H 0.859 0.020 2 467 137 58 GLU HG2 H 1.715 0.020 2 468 137 58 GLU HG3 H 1.549 0.020 2 469 137 58 GLU C C 177.943 0.200 1 470 137 58 GLU CA C 56.935 0.200 1 471 137 58 GLU CB C 29.097 0.200 1 472 137 58 GLU CG C 34.699 0.200 1 473 137 58 GLU N N 114.580 0.200 1 474 138 59 SER H H 7.731 0.020 1 475 138 59 SER HA H 4.103 0.020 1 476 138 59 SER HB2 H 3.634 0.020 2 477 138 59 SER HB3 H 3.801 0.020 2 478 138 59 SER C C 175.808 0.200 1 479 138 59 SER CA C 59.314 0.200 1 480 138 59 SER CB C 66.341 0.200 1 481 138 59 SER N N 110.577 0.200 1 482 139 60 GLY H H 7.997 0.020 1 483 139 60 GLY HA2 H 3.675 0.020 2 484 139 60 GLY HA3 H 4.048 0.020 2 485 139 60 GLY C C 174.111 0.200 1 486 139 60 GLY CA C 45.527 0.200 1 487 139 60 GLY N N 112.370 0.200 1 488 140 61 ILE H H 8.039 0.020 1 489 140 61 ILE HA H 4.147 0.020 1 490 140 61 ILE HB H 1.555 0.020 1 491 140 61 ILE HG12 H 1.259 0.020 2 492 140 61 ILE HG13 H 0.690 0.020 2 493 140 61 ILE HG2 H 0.625 0.020 1 494 140 61 ILE HD1 H 0.554 0.020 1 495 140 61 ILE CA C 58.157 0.200 1 496 140 61 ILE CB C 38.769 0.200 1 497 140 61 ILE CG1 C 26.831 0.200 1 498 140 61 ILE CG2 C 16.348 0.200 1 499 140 61 ILE CD1 C 13.688 0.200 1 500 140 61 ILE N N 123.665 0.200 1 501 141 62 PRO HA H 4.039 0.020 1 502 141 62 PRO HB2 H 1.609 0.020 2 503 141 62 PRO HB3 H 2.257 0.020 2 504 141 62 PRO HG2 H 1.934 0.020 2 505 141 62 PRO HG3 H 1.934 0.020 2 506 141 62 PRO HD2 H 3.940 0.020 2 507 141 62 PRO HD3 H 3.343 0.020 2 508 141 62 PRO C C 178.482 0.200 1 509 141 62 PRO CA C 62.804 0.200 1 510 141 62 PRO CB C 31.975 0.200 1 511 141 62 PRO CG C 27.525 0.200 1 512 141 62 PRO CD C 51.005 0.200 1 513 142 63 ALA H H 9.166 0.020 1 514 142 63 ALA HA H 4.058 0.020 1 515 142 63 ALA HB H 1.221 0.020 1 516 142 63 ALA C C 180.067 0.200 1 517 142 63 ALA CA C 53.983 0.200 1 518 142 63 ALA CB C 18.781 0.200 1 519 142 63 ALA N N 128.827 0.200 1 520 143 64 ALA H H 8.494 0.020 1 521 143 64 ALA HA H 4.079 0.020 1 522 143 64 ALA HB H 1.345 0.020 1 523 143 64 ALA C C 178.775 0.200 1 524 143 64 ALA CA C 54.036 0.200 1 525 143 64 ALA CB C 18.655 0.200 1 526 143 64 ALA N N 118.038 0.200 1 527 144 65 GLU H H 7.722 0.020 1 528 144 65 GLU HA H 4.397 0.020 1 529 144 65 GLU HB2 H 2.241 0.020 2 530 144 65 GLU HB3 H 1.685 0.020 2 531 144 65 GLU HG2 H 2.120 0.020 2 532 144 65 GLU HG3 H 2.027 0.020 2 533 144 65 GLU C C 176.061 0.200 1 534 144 65 GLU CA C 54.972 0.200 1 535 144 65 GLU CB C 30.716 0.200 1 536 144 65 GLU CG C 36.139 0.200 1 537 144 65 GLU N N 114.118 0.200 1 538 145 66 SER H H 7.335 0.020 1 539 145 66 SER HA H 4.591 0.020 1 540 145 66 SER HB2 H 3.504 0.020 2 541 145 66 SER HB3 H 3.607 0.020 2 542 145 66 SER C C 173.880 0.200 1 543 145 66 SER CA C 57.641 0.200 1 544 145 66 SER CB C 64.948 0.200 1 545 145 66 SER N N 113.079 0.200 1 546 146 67 GLN H H 8.729 0.020 1 547 146 67 GLN HA H 4.507 0.020 1 548 146 67 GLN HB2 H 1.770 0.020 2 549 146 67 GLN HB3 H 1.888 0.020 2 550 146 67 GLN HG2 H 2.094 0.020 2 551 146 67 GLN HG3 H 2.197 0.020 2 552 146 67 GLN HE21 H 7.382 0.020 2 553 146 67 GLN HE22 H 6.655 0.020 2 554 146 67 GLN C C 174.580 0.200 1 555 146 67 GLN CA C 54.282 0.200 1 556 146 67 GLN CB C 31.119 0.200 1 557 146 67 GLN CG C 33.599 0.200 1 558 146 67 GLN N N 121.084 0.200 1 559 146 67 GLN NE2 N 112.207 0.200 1 560 147 68 ILE H H 8.883 0.020 1 561 147 68 ILE HA H 4.896 0.020 1 562 147 68 ILE HB H 1.686 0.020 1 563 147 68 ILE HG12 H 1.496 0.020 2 564 147 68 ILE HG13 H 1.047 0.020 2 565 147 68 ILE HG2 H 0.720 0.020 1 566 147 68 ILE HD1 H 0.779 0.020 1 567 147 68 ILE C C 175.032 0.200 1 568 147 68 ILE CA C 59.471 0.200 1 569 147 68 ILE CB C 38.420 0.200 1 570 147 68 ILE CG1 C 27.903 0.200 1 571 147 68 ILE CG2 C 17.668 0.200 1 572 147 68 ILE CD1 C 13.144 0.200 1 573 147 68 ILE N N 125.168 0.200 1 574 148 69 VAL H H 9.540 0.020 1 575 148 69 VAL HA H 4.450 0.020 1 576 148 69 VAL HB H 1.721 0.020 1 577 148 69 VAL HG1 H 0.579 0.020 2 578 148 69 VAL HG2 H 0.498 0.020 2 579 148 69 VAL C C 174.563 0.200 1 580 148 69 VAL CA C 60.788 0.200 1 581 148 69 VAL CB C 34.290 0.200 1 582 148 69 VAL CG1 C 20.560 0.200 1 583 148 69 VAL CG2 C 20.505 0.200 1 584 148 69 VAL N N 128.681 0.200 1 585 149 70 TYR H H 8.531 0.020 1 586 149 70 TYR HA H 4.954 0.020 1 587 149 70 TYR HB2 H 2.592 0.020 2 588 149 70 TYR HB3 H 2.755 0.020 2 589 149 70 TYR HD1 H 7.080 0.020 3 590 149 70 TYR HD2 H 7.080 0.020 3 591 149 70 TYR HE1 H 6.687 0.020 3 592 149 70 TYR HE2 H 6.687 0.020 3 593 149 70 TYR C C 174.821 0.200 1 594 149 70 TYR CA C 55.326 0.200 1 595 149 70 TYR CB C 41.734 0.200 1 596 149 70 TYR N N 126.782 0.200 1 597 150 71 ALA H H 8.859 0.020 1 598 150 71 ALA HA H 3.566 0.020 1 599 150 71 ALA HB H 0.693 0.020 1 600 150 71 ALA C C 176.721 0.200 1 601 150 71 ALA CA C 52.615 0.200 1 602 150 71 ALA CB C 15.629 0.200 1 603 150 71 ALA N N 133.938 0.200 1 604 151 72 GLU H H 8.234 0.020 1 605 151 72 GLU HA H 3.427 0.020 1 606 151 72 GLU HB2 H 2.119 0.020 2 607 151 72 GLU HB3 H 2.189 0.020 2 608 151 72 GLU HG2 H 1.935 0.020 2 609 151 72 GLU HG3 H 2.019 0.020 2 610 151 72 GLU C C 175.774 0.200 1 611 151 72 GLU CA C 57.574 0.200 1 612 151 72 GLU CB C 27.549 0.200 1 613 151 72 GLU CG C 36.362 0.200 1 614 151 72 GLU N N 106.551 0.200 1 615 152 73 ARG H H 7.940 0.020 1 616 152 73 ARG HA H 4.861 0.020 1 617 152 73 ARG HB2 H 1.823 0.020 2 618 152 73 ARG HB3 H 1.823 0.020 2 619 152 73 ARG HG2 H 1.647 0.020 2 620 152 73 ARG HG3 H 1.647 0.020 2 621 152 73 ARG HD2 H 3.180 0.020 2 622 152 73 ARG HD3 H 3.180 0.020 2 623 152 73 ARG CA C 52.541 0.200 1 624 152 73 ARG CB C 31.736 0.200 1 625 152 73 ARG CG C 26.327 0.200 1 626 152 73 ARG CD C 43.326 0.200 1 627 152 73 ARG N N 122.088 0.200 1 628 153 74 PRO HA H 4.828 0.020 1 629 153 74 PRO HB2 H 1.683 0.020 2 630 153 74 PRO HB3 H 1.990 0.020 2 631 153 74 PRO HG2 H 2.057 0.020 2 632 153 74 PRO HG3 H 1.791 0.020 2 633 153 74 PRO HD2 H 3.818 0.020 2 634 153 74 PRO HD3 H 3.645 0.020 2 635 153 74 PRO C C 177.060 0.200 1 636 153 74 PRO CA C 61.661 0.200 1 637 153 74 PRO CB C 31.416 0.200 1 638 153 74 PRO CG C 27.362 0.200 1 639 153 74 PRO CD C 50.487 0.200 1 640 154 75 LEU H H 8.886 0.020 1 641 154 75 LEU HA H 4.281 0.020 1 642 154 75 LEU HB2 H 1.493 0.020 2 643 154 75 LEU HB3 H 0.510 0.020 2 644 154 75 LEU HG H 1.321 0.020 1 645 154 75 LEU HD1 H 0.184 0.020 2 646 154 75 LEU HD2 H 0.310 0.020 2 647 154 75 LEU C C 177.761 0.200 1 648 154 75 LEU CA C 53.544 0.200 1 649 154 75 LEU CB C 39.677 0.200 1 650 154 75 LEU CG C 25.739 0.200 1 651 154 75 LEU CD1 C 24.076 0.200 2 652 154 75 LEU CD2 C 21.075 0.200 2 653 154 75 LEU N N 125.156 0.200 1 654 155 76 THR H H 8.000 0.020 1 655 155 76 THR HA H 4.334 0.020 1 656 155 76 THR HB H 4.360 0.020 1 657 155 76 THR HG2 H 1.009 0.020 1 658 155 76 THR C C 174.355 0.200 1 659 155 76 THR CA C 61.826 0.200 1 660 155 76 THR CB C 69.814 0.200 1 661 155 76 THR CG2 C 20.956 0.200 1 662 155 76 THR N N 111.734 0.200 1 663 156 77 ASP H H 7.662 0.020 1 664 156 77 ASP HA H 4.881 0.020 1 665 156 77 ASP HB2 H 2.530 0.020 2 666 156 77 ASP HB3 H 2.955 0.020 2 667 156 77 ASP CA C 52.666 0.200 1 668 156 77 ASP CB C 40.535 0.200 1 669 156 77 ASP N N 121.645 0.200 1 670 157 78 ASN HA H 4.585 0.020 1 671 157 78 ASN HB2 H 2.536 0.020 2 672 157 78 ASN HB3 H 2.325 0.020 2 673 157 78 ASN HD21 H 7.557 0.020 2 674 157 78 ASN HD22 H 7.040 0.020 2 675 157 78 ASN C C 176.048 0.200 1 676 157 78 ASN CA C 54.889 0.200 1 677 157 78 ASN CB C 38.879 0.200 1 678 157 78 ASN ND2 N 112.658 0.200 1 679 158 79 HIS H H 8.422 0.020 1 680 158 79 HIS HA H 4.910 0.020 1 681 158 79 HIS HB2 H 2.963 0.020 2 682 158 79 HIS HB3 H 3.337 0.020 2 683 158 79 HIS HD2 H 6.911 0.020 1 684 158 79 HIS HE1 H 7.882 0.020 1 685 158 79 HIS C C 174.432 0.200 1 686 158 79 HIS CA C 55.464 0.200 1 687 158 79 HIS CB C 28.919 0.200 1 688 158 79 HIS N N 116.116 0.200 1 689 159 80 ARG H H 7.092 0.020 1 690 159 80 ARG HA H 4.292 0.020 1 691 159 80 ARG HB2 H 1.487 0.020 2 692 159 80 ARG HB3 H 1.556 0.020 2 693 159 80 ARG HG2 H 1.258 0.020 2 694 159 80 ARG HG3 H 1.571 0.020 2 695 159 80 ARG HD2 H 2.752 0.020 2 696 159 80 ARG HD3 H 2.563 0.020 2 697 159 80 ARG C C 176.068 0.200 1 698 159 80 ARG CA C 54.829 0.200 1 699 159 80 ARG CB C 31.660 0.200 1 700 159 80 ARG CG C 26.725 0.200 1 701 159 80 ARG CD C 42.895 0.200 1 702 159 80 ARG N N 120.591 0.200 1 703 160 81 SER H H 8.658 0.020 1 704 160 81 SER HA H 4.947 0.020 1 705 160 81 SER HB2 H 3.921 0.020 2 706 160 81 SER HB3 H 4.226 0.020 2 707 160 81 SER C C 176.459 0.200 1 708 160 81 SER CA C 56.232 0.200 1 709 160 81 SER CB C 65.085 0.200 1 710 160 81 SER N N 118.074 0.200 1 711 161 82 LEU H H 8.404 0.020 1 712 161 82 LEU HA H 3.948 0.020 1 713 161 82 LEU HB2 H 1.826 0.020 2 714 161 82 LEU HB3 H 0.983 0.020 2 715 161 82 LEU HG H 1.780 0.020 1 716 161 82 LEU HD1 H 0.475 0.020 2 717 161 82 LEU HD2 H 0.211 0.020 2 718 161 82 LEU C C 180.140 0.200 1 719 161 82 LEU CA C 58.003 0.200 1 720 161 82 LEU CB C 39.545 0.200 1 721 161 82 LEU CG C 26.015 0.200 1 722 161 82 LEU CD1 C 25.961 0.200 2 723 161 82 LEU CD2 C 20.342 0.200 2 724 161 82 LEU N N 119.816 0.200 1 725 162 83 ALA H H 8.637 0.020 1 726 162 83 ALA HA H 4.034 0.020 1 727 162 83 ALA HB H 1.253 0.020 1 728 162 83 ALA C C 182.331 0.200 1 729 162 83 ALA CA C 54.506 0.200 1 730 162 83 ALA CB C 17.924 0.200 1 731 162 83 ALA N N 119.775 0.200 1 732 163 84 SER H H 8.140 0.020 1 733 163 84 SER HA H 4.076 0.020 1 734 163 84 SER HB2 H 3.851 0.020 2 735 163 84 SER HB3 H 3.917 0.020 2 736 163 84 SER C C 177.404 0.200 1 737 163 84 SER CA C 60.665 0.200 1 738 163 84 SER CB C 62.215 0.200 1 739 163 84 SER N N 116.587 0.200 1 740 164 85 TYR H H 7.635 0.020 1 741 164 85 TYR HA H 4.465 0.020 1 742 164 85 TYR HB2 H 2.741 0.020 2 743 164 85 TYR HB3 H 3.089 0.020 2 744 164 85 TYR HD1 H 7.085 0.020 3 745 164 85 TYR HD2 H 7.085 0.020 3 746 164 85 TYR HE1 H 6.809 0.020 3 747 164 85 TYR HE2 H 6.809 0.020 3 748 164 85 TYR C C 175.911 0.200 1 749 164 85 TYR CA C 59.970 0.200 1 750 164 85 TYR CB C 39.150 0.200 1 751 164 85 TYR N N 120.891 0.200 1 752 165 86 GLY H H 7.868 0.020 1 753 165 86 GLY HA2 H 3.581 0.020 2 754 165 86 GLY HA3 H 4.236 0.020 2 755 165 86 GLY C C 173.834 0.200 1 756 165 86 GLY CA C 44.773 0.200 1 757 165 86 GLY N N 106.365 0.200 1 758 166 87 LEU H H 6.595 0.020 1 759 166 87 LEU HA H 3.905 0.020 1 760 166 87 LEU HB2 H 1.015 0.020 2 761 166 87 LEU HB3 H 0.897 0.020 2 762 166 87 LEU HG H 0.608 0.020 1 763 166 87 LEU HD1 H 0.185 0.020 2 764 166 87 LEU HD2 H -0.096 0.020 2 765 166 87 LEU C C 175.688 0.200 1 766 166 87 LEU CA C 55.780 0.200 1 767 166 87 LEU CB C 42.281 0.200 1 768 166 87 LEU CG C 28.702 0.200 1 769 166 87 LEU CD1 C 25.424 0.200 2 770 166 87 LEU CD2 C 24.329 0.200 2 771 166 87 LEU N N 119.882 0.200 1 772 167 88 LYS H H 8.570 0.020 1 773 167 88 LYS HA H 4.447 0.020 1 774 167 88 LYS HB2 H 1.590 0.020 2 775 167 88 LYS HB3 H 1.590 0.020 2 776 167 88 LYS HG2 H 1.402 0.020 2 777 167 88 LYS HG3 H 1.241 0.020 2 778 167 88 LYS HD2 H 1.558 0.020 2 779 167 88 LYS HD3 H 1.558 0.020 2 780 167 88 LYS HE2 H 2.950 0.020 2 781 167 88 LYS HE3 H 2.950 0.020 2 782 167 88 LYS C C 174.800 0.200 1 783 167 88 LYS CA C 53.843 0.200 1 784 167 88 LYS CB C 35.493 0.200 1 785 167 88 LYS CG C 22.535 0.200 1 786 167 88 LYS CD C 28.383 0.200 1 787 167 88 LYS CE C 41.443 0.200 1 788 167 88 LYS N N 119.566 0.200 1 789 168 89 ASP H H 8.054 0.020 1 790 168 89 ASP HA H 4.140 0.020 1 791 168 89 ASP HB2 H 2.601 0.020 2 792 168 89 ASP HB3 H 2.500 0.020 2 793 168 89 ASP C C 177.544 0.200 1 794 168 89 ASP CA C 56.207 0.200 1 795 168 89 ASP CB C 42.007 0.200 1 796 168 89 ASP N N 116.485 0.200 1 797 169 90 GLY H H 9.146 0.020 1 798 169 90 GLY HA2 H 3.607 0.020 2 799 169 90 GLY HA3 H 4.224 0.020 2 800 169 90 GLY C C 175.186 0.200 1 801 169 90 GLY CA C 44.889 0.200 1 802 169 90 GLY N N 114.942 0.200 1 803 170 91 ASP H H 8.001 0.020 1 804 170 91 ASP HA H 4.731 0.020 1 805 170 91 ASP HB2 H 2.883 0.020 2 806 170 91 ASP HB3 H 2.463 0.020 2 807 170 91 ASP C C 174.550 0.200 1 808 170 91 ASP CA C 54.913 0.200 1 809 170 91 ASP CB C 42.308 0.200 1 810 170 91 ASP N N 122.110 0.200 1 811 171 92 VAL H H 7.962 0.020 1 812 171 92 VAL HA H 5.072 0.020 1 813 171 92 VAL HB H 1.826 0.020 1 814 171 92 VAL HG1 H 0.879 0.020 2 815 171 92 VAL HG2 H 0.769 0.020 2 816 171 92 VAL C C 176.316 0.200 1 817 171 92 VAL CA C 59.735 0.200 1 818 171 92 VAL CB C 34.001 0.200 1 819 171 92 VAL CG1 C 20.970 0.200 2 820 171 92 VAL CG2 C 22.391 0.200 2 821 171 92 VAL N N 117.379 0.200 1 822 172 93 VAL H H 8.931 0.020 1 823 172 93 VAL HA H 4.660 0.020 1 824 172 93 VAL HB H 1.894 0.020 1 825 172 93 VAL HG1 H 0.774 0.020 2 826 172 93 VAL HG2 H 0.741 0.020 2 827 172 93 VAL C C 173.454 0.200 1 828 172 93 VAL CA C 59.462 0.200 1 829 172 93 VAL CB C 34.809 0.200 1 830 172 93 VAL CG2 C 21.754 0.200 1 831 172 93 VAL N N 122.434 0.200 1 832 173 94 ILE H H 8.647 0.020 1 833 173 94 ILE HA H 5.041 0.020 1 834 173 94 ILE HB H 1.715 0.020 1 835 173 94 ILE HG12 H 1.474 0.020 2 836 173 94 ILE HG13 H 1.197 0.020 2 837 173 94 ILE HG2 H 0.779 0.020 1 838 173 94 ILE HD1 H 0.727 0.020 1 839 173 94 ILE C C 174.643 0.200 1 840 173 94 ILE CA C 59.098 0.200 1 841 173 94 ILE CB C 39.799 0.200 1 842 173 94 ILE CG1 C 28.397 0.200 1 843 173 94 ILE CG2 C 17.209 0.200 1 844 173 94 ILE CD1 C 12.811 0.200 1 845 173 94 ILE N N 124.245 0.200 1 846 174 95 LEU H H 8.906 0.020 1 847 174 95 LEU HA H 5.218 0.020 1 848 174 95 LEU HB2 H 1.123 0.020 2 849 174 95 LEU HB3 H 1.579 0.020 2 850 174 95 LEU HG H 1.346 0.020 1 851 174 95 LEU HD1 H 0.763 0.020 2 852 174 95 LEU HD2 H 0.772 0.020 2 853 174 95 LEU C C 175.100 0.200 1 854 174 95 LEU CA C 53.187 0.200 1 855 174 95 LEU CB C 45.157 0.200 1 856 174 95 LEU CG C 28.180 0.200 1 857 174 95 LEU CD1 C 25.734 0.200 2 858 174 95 LEU CD2 C 24.829 0.200 2 859 174 95 LEU N N 129.949 0.200 1 860 175 96 ARG H H 8.995 0.020 1 861 175 96 ARG HA H 5.037 0.020 1 862 175 96 ARG HB2 H 1.600 0.020 2 863 175 96 ARG HB3 H 1.718 0.020 2 864 175 96 ARG HG2 H 1.427 0.020 2 865 175 96 ARG HG3 H 1.427 0.020 2 866 175 96 ARG HD2 H 3.004 0.020 2 867 175 96 ARG HD3 H 3.004 0.020 2 868 175 96 ARG C C 174.849 0.200 1 869 175 96 ARG CA C 54.087 0.200 1 870 175 96 ARG CB C 32.882 0.200 1 871 175 96 ARG CG C 27.091 0.200 1 872 175 96 ARG CD C 43.048 0.200 1 873 175 96 ARG N N 124.110 0.200 1 874 176 97 GLN H H 7.954 0.020 1 875 176 97 GLN HA H 4.215 0.020 1 876 176 97 GLN HB2 H 1.990 0.020 2 877 176 97 GLN HB3 H 1.708 0.020 2 878 176 97 GLN HG2 H 2.305 0.020 2 879 176 97 GLN HG3 H 2.305 0.020 2 880 176 97 GLN HE21 H 7.636 0.020 2 881 176 97 GLN HE22 H 6.961 0.020 2 882 176 97 GLN CA C 57.106 0.200 1 883 176 97 GLN CB C 31.219 0.200 1 884 176 97 GLN CG C 34.538 0.200 1 885 176 97 GLN N N 127.785 0.200 1 886 176 97 GLN NE2 N 112.213 0.200 1 stop_ save_