data_25803 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; UBL domain of the yeast DNA damage-inducible protein homolog 1 ; _BMRB_accession_number 25803 _BMRB_flat_file_name bmr25803.str _Entry_type original _Submission_date 2015-09-09 _Accession_date 2015-09-09 _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" 500 "13C chemical shifts" 360 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-13 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25801 'UBL domain of the human DNA damage-inducible protein homolog 2' stop_ _Original_release_date 2016-07-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural insights and in vitro reconstitution of membrane targeting and activation of human PI4KB by the ACBD3 protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27009356 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Klima Martin . . 2 Toth Daniel J. . 3 Hexnerova Rozalie . . 4 Baumlova Adriana . . 5 Chalupska Dominika . . 6 Tykvart Jan . . 7 Rezabkova Lenka . . 8 Sengupta Nivedita . . 9 Man Petr . . 10 Dubankova Anna . . 11 Humpolickova Jana . . 12 Nencka Radim . . 13 Veverka Vaclav . . 14 Balla Tamas . . 15 Boura Evzen . . 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 23641 _Page_last 23641 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UBL domain of the yeast DNA damage-inducible protein homolog 1' _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 9692.008 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; HIEGRHMDLTISNELTGEIY GPIEVSEDMALTDLIALLQA DCGFDKTKHDLYYNMDILDS NRTQSLKELGLKTDDLLLIR GKISNS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 95 HIS 2 96 ILE 3 97 GLU 4 98 GLY 5 99 ARG 6 100 HIS 7 101 MET 8 102 ASP 9 103 LEU 10 104 THR 11 105 ILE 12 106 SER 13 107 ASN 14 108 GLU 15 109 LEU 16 110 THR 17 111 GLY 18 112 GLU 19 113 ILE 20 114 TYR 21 115 GLY 22 116 PRO 23 117 ILE 24 118 GLU 25 119 VAL 26 120 SER 27 121 GLU 28 122 ASP 29 123 MET 30 124 ALA 31 125 LEU 32 126 THR 33 127 ASP 34 128 LEU 35 129 ILE 36 130 ALA 37 131 LEU 38 132 LEU 39 133 GLN 40 134 ALA 41 135 ASP 42 136 CYS 43 137 GLY 44 138 PHE 45 139 ASP 46 140 LYS 47 141 THR 48 142 LYS 49 143 HIS 50 144 ASP 51 145 LEU 52 146 TYR 53 147 TYR 54 148 ASN 55 149 MET 56 150 ASP 57 151 ILE 58 152 LEU 59 153 ASP 60 154 SER 61 155 ASN 62 156 ARG 63 157 THR 64 158 GLN 65 159 SER 66 160 LEU 67 161 LYS 68 162 GLU 69 163 LEU 70 164 GLY 71 165 LEU 72 166 LYS 73 167 THR 74 168 ASP 75 169 ASP 76 170 LEU 77 171 LEU 78 172 LEU 79 173 ILE 80 174 ARG 81 175 GLY 82 176 LYS 83 177 ILE 84 178 SER 85 179 ASN 86 180 SER 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 "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_YASARA _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address YASARA . . 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 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-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 CBCA(CO)NH' '3D HCCH-TOCSY' 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 1 HIS HA H 4.498 0.020 1 2 95 1 HIS HB2 H 2.942 0.020 2 3 95 1 HIS HB3 H 2.942 0.020 2 4 96 2 ILE H H 7.966 0.020 1 5 96 2 ILE HA H 4.028 0.020 1 6 96 2 ILE HB H 1.658 0.020 1 7 96 2 ILE HG12 H 0.990 0.020 2 8 96 2 ILE HG13 H 1.295 0.020 2 9 96 2 ILE HG2 H 0.726 0.020 1 10 96 2 ILE HD1 H 0.701 0.020 1 11 96 2 ILE C C 173.090 0.200 1 12 96 2 ILE CA C 58.179 0.200 1 13 96 2 ILE CB C 35.986 0.200 1 14 96 2 ILE CG1 C 24.390 0.200 1 15 96 2 ILE CG2 C 14.648 0.200 1 16 96 2 ILE CD1 C 9.979 0.200 1 17 96 2 ILE N N 123.369 0.200 1 18 97 3 GLU H H 8.445 0.020 1 19 97 3 GLU HA H 4.223 0.020 1 20 97 3 GLU HB2 H 1.961 0.020 2 21 97 3 GLU HB3 H 1.861 0.020 2 22 97 3 GLU HG2 H 2.207 0.020 2 23 97 3 GLU HG3 H 2.207 0.020 2 24 97 3 GLU C C 173.962 0.200 1 25 97 3 GLU CA C 53.771 0.200 1 26 97 3 GLU CB C 27.694 0.200 1 27 97 3 GLU CG C 33.407 0.200 1 28 97 3 GLU N N 125.407 0.200 1 29 98 4 GLY H H 8.333 0.020 1 30 98 4 GLY HA2 H 3.872 0.020 2 31 98 4 GLY HA3 H 3.872 0.020 2 32 98 4 GLY C C 171.069 0.200 1 33 98 4 GLY CA C 42.322 0.200 1 34 98 4 GLY N N 110.529 0.200 1 35 99 5 ARG H H 8.388 0.020 1 36 99 5 ARG HA H 4.193 0.020 1 37 99 5 ARG HB2 H 1.667 0.020 2 38 99 5 ARG HB3 H 1.584 0.020 2 39 99 5 ARG HG2 H 1.549 0.020 2 40 99 5 ARG HG3 H 1.499 0.020 2 41 99 5 ARG HD2 H 3.108 0.020 2 42 99 5 ARG HD3 H 3.108 0.020 2 43 99 5 ARG C C 173.490 0.200 1 44 99 5 ARG CA C 53.749 0.200 1 45 99 5 ARG CB C 27.949 0.200 1 46 99 5 ARG CG C 24.621 0.200 1 47 99 5 ARG CD C 40.586 0.200 1 48 99 5 ARG N N 120.647 0.200 1 49 100 6 HIS H H 8.427 0.020 1 50 100 6 HIS HA H 5.215 0.020 1 51 100 6 HIS HB2 H 2.945 0.020 2 52 100 6 HIS HB3 H 2.945 0.020 2 53 100 6 HIS HD2 H 6.695 0.020 1 54 100 6 HIS C C 170.919 0.200 1 55 100 6 HIS CA C 51.853 0.200 1 56 100 6 HIS CB C 28.876 0.200 1 57 100 6 HIS N N 120.797 0.200 1 58 101 7 MET H H 9.123 0.020 1 59 101 7 MET HA H 4.600 0.020 1 60 101 7 MET HB2 H 1.848 0.020 2 61 101 7 MET HB3 H 1.625 0.020 2 62 101 7 MET HG2 H 2.150 0.020 2 63 101 7 MET HG3 H 2.047 0.020 2 64 101 7 MET HE H 1.621 0.020 1 65 101 7 MET C C 170.000 0.200 1 66 101 7 MET CA C 51.785 0.200 1 67 101 7 MET CB C 33.540 0.200 1 68 101 7 MET CG C 28.717 0.200 1 69 101 7 MET CE C 14.954 0.200 1 70 101 7 MET N N 118.999 0.200 1 71 102 8 ASP H H 8.469 0.020 1 72 102 8 ASP HA H 5.491 0.020 1 73 102 8 ASP HB2 H 2.533 0.020 2 74 102 8 ASP HB3 H 2.275 0.020 2 75 102 8 ASP C C 173.413 0.200 1 76 102 8 ASP CA C 50.320 0.200 1 77 102 8 ASP CB C 39.722 0.200 1 78 102 8 ASP N N 122.054 0.200 1 79 103 9 LEU H H 8.906 0.020 1 80 103 9 LEU HA H 5.046 0.020 1 81 103 9 LEU HB2 H 1.400 0.020 2 82 103 9 LEU HB3 H 1.176 0.020 2 83 103 9 LEU HG H 1.359 0.020 1 84 103 9 LEU HD1 H 0.621 0.020 2 85 103 9 LEU HD2 H 0.734 0.020 2 86 103 9 LEU C C 173.374 0.200 1 87 103 9 LEU CA C 50.607 0.200 1 88 103 9 LEU CB C 43.482 0.200 1 89 103 9 LEU CG C 23.995 0.200 1 90 103 9 LEU CD1 C 23.719 0.200 2 91 103 9 LEU CD2 C 21.489 0.200 2 92 103 9 LEU N N 122.521 0.200 1 93 104 10 THR H H 8.252 0.020 1 94 104 10 THR HA H 4.742 0.020 1 95 104 10 THR HB H 3.784 0.020 1 96 104 10 THR HG1 H 5.216 0.020 1 97 104 10 THR HG2 H 0.967 0.020 1 98 104 10 THR C C 169.447 0.200 1 99 104 10 THR CA C 59.633 0.200 1 100 104 10 THR CB C 67.582 0.200 1 101 104 10 THR CG2 C 19.019 0.200 1 102 104 10 THR N N 118.388 0.200 1 103 105 11 ILE H H 8.899 0.020 1 104 105 11 ILE HA H 5.101 0.020 1 105 105 11 ILE HB H 2.117 0.020 1 106 105 11 ILE HG12 H 1.347 0.020 2 107 105 11 ILE HG13 H 1.347 0.020 2 108 105 11 ILE HG2 H 0.757 0.020 1 109 105 11 ILE HD1 H 0.671 0.020 1 110 105 11 ILE C C 172.181 0.200 1 111 105 11 ILE CA C 55.943 0.200 1 112 105 11 ILE CB C 37.062 0.200 1 113 105 11 ILE CG1 C 25.608 0.200 1 114 105 11 ILE CG2 C 16.244 0.200 1 115 105 11 ILE CD1 C 10.648 0.200 1 116 105 11 ILE N N 125.507 0.200 1 117 106 12 SER H H 9.002 0.020 1 118 106 12 SER HA H 5.069 0.020 1 119 106 12 SER HB2 H 3.842 0.020 2 120 106 12 SER HB3 H 3.560 0.020 2 121 106 12 SER C C 170.721 0.200 1 122 106 12 SER CA C 52.959 0.200 1 123 106 12 SER CB C 61.679 0.200 1 124 106 12 SER N N 121.089 0.200 1 125 107 13 ASN H H 8.925 0.020 1 126 107 13 ASN HA H 4.979 0.020 1 127 107 13 ASN HB2 H 3.455 0.020 2 128 107 13 ASN HB3 H 2.380 0.020 2 129 107 13 ASN HD21 H 7.657 0.020 2 130 107 13 ASN HD22 H 6.592 0.020 2 131 107 13 ASN C C 172.989 0.200 1 132 107 13 ASN CA C 49.736 0.200 1 133 107 13 ASN CB C 36.444 0.200 1 134 107 13 ASN N N 125.868 0.200 1 135 107 13 ASN ND2 N 111.189 0.200 1 136 108 14 GLU H H 8.812 0.020 1 137 108 14 GLU HA H 4.056 0.020 1 138 108 14 GLU HB2 H 2.163 0.020 2 139 108 14 GLU HB3 H 2.058 0.020 2 140 108 14 GLU HG2 H 2.220 0.020 2 141 108 14 GLU HG3 H 2.192 0.020 2 142 108 14 GLU C C 175.116 0.200 1 143 108 14 GLU CA C 55.648 0.200 1 144 108 14 GLU CB C 27.700 0.200 1 145 108 14 GLU CG C 34.922 0.200 1 146 108 14 GLU N N 125.394 0.200 1 147 109 15 LEU H H 8.451 0.020 1 148 109 15 LEU HA H 4.237 0.020 1 149 109 15 LEU HB2 H 2.107 0.020 2 150 109 15 LEU HB3 H 1.587 0.020 2 151 109 15 LEU HG H 1.620 0.020 1 152 109 15 LEU HD1 H 0.770 0.020 2 153 109 15 LEU HD2 H 0.802 0.020 2 154 109 15 LEU C C 176.749 0.200 1 155 109 15 LEU CA C 54.582 0.200 1 156 109 15 LEU CB C 37.973 0.200 1 157 109 15 LEU CG C 25.034 0.200 1 158 109 15 LEU CD1 C 22.126 0.200 2 159 109 15 LEU CD2 C 21.616 0.200 2 160 109 15 LEU N N 118.962 0.200 1 161 110 16 THR H H 7.277 0.020 1 162 110 16 THR HA H 4.347 0.020 1 163 110 16 THR HB H 4.275 0.020 1 164 110 16 THR HG2 H 1.060 0.020 1 165 110 16 THR C C 173.847 0.200 1 166 110 16 THR CA C 58.381 0.200 1 167 110 16 THR CB C 67.866 0.200 1 168 110 16 THR CG2 C 18.610 0.200 1 169 110 16 THR N N 106.273 0.200 1 170 111 17 GLY H H 8.277 0.020 1 171 111 17 GLY HA2 H 4.072 0.020 2 172 111 17 GLY HA3 H 3.654 0.020 2 173 111 17 GLY C C 171.299 0.200 1 174 111 17 GLY CA C 42.965 0.200 1 175 111 17 GLY N N 111.840 0.200 1 176 112 18 GLU H H 7.529 0.020 1 177 112 18 GLU HA H 4.164 0.020 1 178 112 18 GLU HB2 H 1.677 0.020 2 179 112 18 GLU HB3 H 1.677 0.020 2 180 112 18 GLU HG2 H 2.075 0.020 2 181 112 18 GLU HG3 H 1.994 0.020 2 182 112 18 GLU C C 171.995 0.200 1 183 112 18 GLU CA C 53.639 0.200 1 184 112 18 GLU CB C 29.521 0.200 1 185 112 18 GLU CG C 33.839 0.200 1 186 112 18 GLU N N 119.781 0.200 1 187 113 19 ILE H H 8.171 0.020 1 188 113 19 ILE HA H 4.703 0.020 1 189 113 19 ILE HB H 1.586 0.020 1 190 113 19 ILE HG12 H 1.425 0.020 2 191 113 19 ILE HG13 H 0.984 0.020 2 192 113 19 ILE HG2 H 0.652 0.020 1 193 113 19 ILE HD1 H 0.708 0.020 1 194 113 19 ILE C C 172.266 0.200 1 195 113 19 ILE CA C 56.970 0.200 1 196 113 19 ILE CB C 37.026 0.200 1 197 113 19 ILE CG1 C 24.732 0.200 1 198 113 19 ILE CG2 C 14.698 0.200 1 199 113 19 ILE CD1 C 9.892 0.200 1 200 113 19 ILE N N 122.444 0.200 1 201 114 20 TYR H H 9.437 0.020 1 202 114 20 TYR HA H 4.770 0.020 1 203 114 20 TYR HB2 H 2.921 0.020 2 204 114 20 TYR HB3 H 2.790 0.020 2 205 114 20 TYR HD1 H 6.952 0.020 3 206 114 20 TYR HD2 H 6.952 0.020 3 207 114 20 TYR C C 171.658 0.200 1 208 114 20 TYR CA C 53.773 0.200 1 209 114 20 TYR CB C 38.812 0.200 1 210 114 20 TYR N N 128.112 0.200 1 211 115 21 GLY H H 8.382 0.020 1 212 115 21 GLY HA2 H 4.616 0.020 2 213 115 21 GLY HA3 H 3.238 0.020 2 214 115 21 GLY C C 168.928 0.200 1 215 115 21 GLY CA C 40.748 0.200 1 216 115 21 GLY N N 110.310 0.200 1 217 116 22 PRO HA H 4.636 0.020 1 218 116 22 PRO HB2 H 1.756 0.020 2 219 116 22 PRO HB3 H 2.088 0.020 2 220 116 22 PRO HG2 H 1.858 0.020 2 221 116 22 PRO HG3 H 1.760 0.020 2 222 116 22 PRO HD2 H 3.457 0.020 2 223 116 22 PRO HD3 H 3.423 0.020 2 224 116 22 PRO C C 173.928 0.200 1 225 116 22 PRO CA C 59.684 0.200 1 226 116 22 PRO CB C 31.606 0.200 1 227 116 22 PRO CG C 22.644 0.200 1 228 116 22 PRO CD C 47.668 0.200 1 229 117 23 ILE H H 9.534 0.020 1 230 117 23 ILE HA H 4.341 0.020 1 231 117 23 ILE HB H 1.647 0.020 1 232 117 23 ILE HG12 H 1.378 0.020 2 233 117 23 ILE HG13 H 1.001 0.020 2 234 117 23 ILE HG2 H 0.659 0.020 1 235 117 23 ILE HD1 H 0.578 0.020 1 236 117 23 ILE C C 171.195 0.200 1 237 117 23 ILE CA C 57.024 0.200 1 238 117 23 ILE CB C 37.275 0.200 1 239 117 23 ILE CG1 C 23.867 0.200 1 240 117 23 ILE CG2 C 15.006 0.200 1 241 117 23 ILE CD1 C 10.528 0.200 1 242 117 23 ILE N N 123.634 0.200 1 243 118 24 GLU H H 8.296 0.020 1 244 118 24 GLU HA H 5.016 0.020 1 245 118 24 GLU HB2 H 1.828 0.020 2 246 118 24 GLU HB3 H 1.721 0.020 2 247 118 24 GLU HG2 H 2.083 0.020 2 248 118 24 GLU HG3 H 1.838 0.020 2 249 118 24 GLU C C 173.573 0.200 1 250 118 24 GLU CA C 52.809 0.200 1 251 118 24 GLU CB C 27.887 0.200 1 252 118 24 GLU CG C 33.767 0.200 1 253 118 24 GLU N N 125.901 0.200 1 254 119 25 VAL H H 8.979 0.020 1 255 119 25 VAL HA H 4.615 0.020 1 256 119 25 VAL HB H 2.197 0.020 1 257 119 25 VAL HG1 H 0.632 0.020 2 258 119 25 VAL HG2 H 0.536 0.020 2 259 119 25 VAL C C 172.108 0.200 1 260 119 25 VAL CA C 55.743 0.200 1 261 119 25 VAL CB C 32.959 0.200 1 262 119 25 VAL CG1 C 19.569 0.200 2 263 119 25 VAL CG2 C 16.134 0.200 2 264 119 25 VAL N N 119.239 0.200 1 265 120 26 SER H H 8.171 0.020 1 266 120 26 SER HA H 4.383 0.020 1 267 120 26 SER HB2 H 3.813 0.020 2 268 120 26 SER HB3 H 3.579 0.020 2 269 120 26 SER HG H 4.311 0.020 1 270 120 26 SER C C 173.572 0.200 1 271 120 26 SER CA C 54.569 0.200 1 272 120 26 SER CB C 61.278 0.200 1 273 120 26 SER N N 114.845 0.200 1 274 121 27 GLU H H 8.474 0.020 1 275 121 27 GLU HA H 4.033 0.020 1 276 121 27 GLU HB2 H 1.869 0.020 2 277 121 27 GLU HB3 H 1.716 0.020 2 278 121 27 GLU HG2 H 2.309 0.020 2 279 121 27 GLU HG3 H 1.989 0.020 2 280 121 27 GLU C C 171.865 0.200 1 281 121 27 GLU CA C 55.546 0.200 1 282 121 27 GLU CB C 26.688 0.200 1 283 121 27 GLU CG C 32.385 0.200 1 284 121 27 GLU N N 124.493 0.200 1 285 122 28 ASP H H 7.755 0.020 1 286 122 28 ASP HA H 4.643 0.020 1 287 122 28 ASP HB2 H 2.805 0.020 2 288 122 28 ASP HB3 H 2.805 0.020 2 289 122 28 ASP C C 172.956 0.200 1 290 122 28 ASP CA C 51.240 0.200 1 291 122 28 ASP CB C 38.661 0.200 1 292 122 28 ASP N N 114.875 0.200 1 293 123 29 MET H H 7.401 0.020 1 294 123 29 MET HA H 3.990 0.020 1 295 123 29 MET HB2 H 2.185 0.020 2 296 123 29 MET HB3 H 1.845 0.020 2 297 123 29 MET HG2 H 2.866 0.020 2 298 123 29 MET HG3 H 2.387 0.020 2 299 123 29 MET HE H 1.966 0.020 1 300 123 29 MET C C 172.097 0.200 1 301 123 29 MET CA C 53.909 0.200 1 302 123 29 MET CB C 31.724 0.200 1 303 123 29 MET CG C 29.248 0.200 1 304 123 29 MET CE C 14.873 0.200 1 305 123 29 MET N N 122.256 0.200 1 306 124 30 ALA H H 8.852 0.020 1 307 124 30 ALA HA H 4.185 0.020 1 308 124 30 ALA HB H 1.342 0.020 1 309 124 30 ALA C C 177.582 0.200 1 310 124 30 ALA CA C 49.111 0.200 1 311 124 30 ALA CB C 16.897 0.200 1 312 124 30 ALA N N 127.989 0.200 1 313 125 31 LEU H H 8.624 0.020 1 314 125 31 LEU HA H 3.810 0.020 1 315 125 31 LEU HB2 H 1.935 0.020 2 316 125 31 LEU HB3 H 1.309 0.020 2 317 125 31 LEU HG H 1.470 0.020 1 318 125 31 LEU HD1 H 0.756 0.020 2 319 125 31 LEU HD2 H 0.634 0.020 2 320 125 31 LEU C C 175.807 0.200 1 321 125 31 LEU CA C 55.705 0.200 1 322 125 31 LEU CB C 37.002 0.200 1 323 125 31 LEU CG C 24.264 0.200 1 324 125 31 LEU CD1 C 23.565 0.200 2 325 125 31 LEU CD2 C 20.377 0.200 2 326 125 31 LEU N N 124.744 0.200 1 327 126 32 THR H H 7.704 0.020 1 328 126 32 THR HA H 3.747 0.020 1 329 126 32 THR HB H 3.985 0.020 1 330 126 32 THR HG2 H 1.157 0.020 1 331 126 32 THR C C 174.479 0.200 1 332 126 32 THR CA C 62.482 0.200 1 333 126 32 THR CB C 65.431 0.200 1 334 126 32 THR CG2 C 19.812 0.200 1 335 126 32 THR N N 107.639 0.200 1 336 127 33 ASP H H 7.020 0.020 1 337 127 33 ASP HA H 4.600 0.020 1 338 127 33 ASP HB2 H 2.792 0.020 2 339 127 33 ASP HB3 H 2.634 0.020 2 340 127 33 ASP C C 175.970 0.200 1 341 127 33 ASP CA C 54.281 0.200 1 342 127 33 ASP CB C 37.779 0.200 1 343 127 33 ASP N N 121.897 0.200 1 344 128 34 LEU H H 7.775 0.020 1 345 128 34 LEU HA H 4.093 0.020 1 346 128 34 LEU HB2 H 2.051 0.020 2 347 128 34 LEU HB3 H 1.440 0.020 2 348 128 34 LEU HG H 1.271 0.020 1 349 128 34 LEU HD1 H 0.554 0.020 2 350 128 34 LEU HD2 H 0.736 0.020 2 351 128 34 LEU C C 175.625 0.200 1 352 128 34 LEU CA C 55.275 0.200 1 353 128 34 LEU CB C 37.801 0.200 1 354 128 34 LEU CG C 24.564 0.200 1 355 128 34 LEU CD1 C 22.986 0.200 2 356 128 34 LEU CD2 C 20.257 0.200 2 357 128 34 LEU N N 125.095 0.200 1 358 129 35 ILE H H 8.506 0.020 1 359 129 35 ILE HA H 3.171 0.020 1 360 129 35 ILE HB H 1.992 0.020 1 361 129 35 ILE HG12 H 1.423 0.020 2 362 129 35 ILE HG13 H 1.151 0.020 2 363 129 35 ILE HG2 H 0.844 0.020 1 364 129 35 ILE HD1 H 0.461 0.020 1 365 129 35 ILE C C 174.699 0.200 1 366 129 35 ILE CA C 61.600 0.200 1 367 129 35 ILE CB C 33.160 0.200 1 368 129 35 ILE CG1 C 25.802 0.200 1 369 129 35 ILE CG2 C 14.611 0.200 1 370 129 35 ILE CD1 C 8.495 0.200 1 371 129 35 ILE N N 119.087 0.200 1 372 130 36 ALA H H 7.414 0.020 1 373 130 36 ALA HA H 4.229 0.020 1 374 130 36 ALA HB H 1.486 0.020 1 375 130 36 ALA C C 178.076 0.200 1 376 130 36 ALA CA C 52.675 0.200 1 377 130 36 ALA CB C 15.091 0.200 1 378 130 36 ALA N N 121.150 0.200 1 379 131 37 LEU H H 7.411 0.020 1 380 131 37 LEU HA H 4.133 0.020 1 381 131 37 LEU HB2 H 1.956 0.020 2 382 131 37 LEU HB3 H 1.655 0.020 2 383 131 37 LEU HG H 1.630 0.020 1 384 131 37 LEU HD1 H 0.818 0.020 2 385 131 37 LEU HD2 H 0.744 0.020 2 386 131 37 LEU C C 175.953 0.200 1 387 131 37 LEU CA C 55.738 0.200 1 388 131 37 LEU CB C 39.175 0.200 1 389 131 37 LEU CG C 24.449 0.200 1 390 131 37 LEU CD1 C 22.191 0.200 2 391 131 37 LEU CD2 C 22.177 0.200 2 392 131 37 LEU N N 122.122 0.200 1 393 132 38 LEU H H 8.393 0.020 1 394 132 38 LEU HA H 3.720 0.020 1 395 132 38 LEU HB2 H 1.666 0.020 2 396 132 38 LEU HB3 H 0.955 0.020 2 397 132 38 LEU HG H 1.816 0.020 1 398 132 38 LEU HD1 H 0.317 0.020 2 399 132 38 LEU HD2 H 0.551 0.020 2 400 132 38 LEU C C 178.439 0.200 1 401 132 38 LEU CA C 54.750 0.200 1 402 132 38 LEU CB C 37.945 0.200 1 403 132 38 LEU CG C 23.451 0.200 1 404 132 38 LEU CD1 C 23.565 0.200 2 405 132 38 LEU CD2 C 20.392 0.200 2 406 132 38 LEU N N 118.373 0.200 1 407 133 39 GLN H H 8.879 0.020 1 408 133 39 GLN HA H 4.671 0.020 1 409 133 39 GLN HB2 H 2.313 0.020 2 410 133 39 GLN HB3 H 2.178 0.020 2 411 133 39 GLN HG2 H 2.683 0.020 2 412 133 39 GLN HG3 H 2.495 0.020 2 413 133 39 GLN HE21 H 7.423 0.020 2 414 133 39 GLN HE22 H 6.920 0.020 2 415 133 39 GLN C C 174.767 0.200 1 416 133 39 GLN CA C 55.942 0.200 1 417 133 39 GLN CB C 26.894 0.200 1 418 133 39 GLN CG C 31.827 0.200 1 419 133 39 GLN N N 121.342 0.200 1 420 133 39 GLN NE2 N 111.036 0.200 1 421 134 40 ALA H H 7.446 0.020 1 422 134 40 ALA HA H 4.157 0.020 1 423 134 40 ALA HB H 1.448 0.020 1 424 134 40 ALA C C 177.346 0.200 1 425 134 40 ALA CA C 52.093 0.200 1 426 134 40 ALA CB C 16.159 0.200 1 427 134 40 ALA N N 121.096 0.200 1 428 135 41 ASP H H 8.422 0.020 1 429 135 41 ASP HA H 4.781 0.020 1 430 135 41 ASP HB2 H 2.491 0.020 2 431 135 41 ASP HB3 H 2.442 0.020 2 432 135 41 ASP C C 175.627 0.200 1 433 135 41 ASP CA C 53.144 0.200 1 434 135 41 ASP CB C 40.130 0.200 1 435 135 41 ASP N N 114.176 0.200 1 436 136 42 CYS H H 7.675 0.020 1 437 136 42 CYS HA H 4.115 0.020 1 438 136 42 CYS HB2 H 2.679 0.020 2 439 136 42 CYS HB3 H 2.333 0.020 2 440 136 42 CYS C C 171.829 0.200 1 441 136 42 CYS CA C 54.206 0.200 1 442 136 42 CYS CB C 26.851 0.200 1 443 136 42 CYS N N 114.632 0.200 1 444 137 43 GLY H H 7.829 0.020 1 445 137 43 GLY HA2 H 3.754 0.020 2 446 137 43 GLY HA3 H 3.754 0.020 2 447 137 43 GLY C C 171.901 0.200 1 448 137 43 GLY CA C 43.718 0.200 1 449 137 43 GLY N N 106.852 0.200 1 450 138 44 PHE H H 7.339 0.020 1 451 138 44 PHE HA H 4.484 0.020 1 452 138 44 PHE HB2 H 2.440 0.020 2 453 138 44 PHE HB3 H 2.369 0.020 2 454 138 44 PHE HD1 H 6.937 0.020 3 455 138 44 PHE HD2 H 6.937 0.020 3 456 138 44 PHE HE1 H 7.039 0.020 3 457 138 44 PHE HE2 H 7.039 0.020 3 458 138 44 PHE HZ H 7.266 0.020 1 459 138 44 PHE C C 171.363 0.200 1 460 138 44 PHE CA C 55.646 0.200 1 461 138 44 PHE CB C 38.335 0.200 1 462 138 44 PHE N N 120.603 0.200 1 463 139 45 ASP H H 10.624 0.020 1 464 139 45 ASP HA H 4.649 0.020 1 465 139 45 ASP HB2 H 2.153 0.020 2 466 139 45 ASP HB3 H 2.043 0.020 2 467 139 45 ASP C C 173.524 0.200 1 468 139 45 ASP CA C 49.009 0.200 1 469 139 45 ASP CB C 39.445 0.200 1 470 139 45 ASP N N 133.493 0.200 1 471 140 46 LYS H H 8.858 0.020 1 472 140 46 LYS HA H 3.972 0.020 1 473 140 46 LYS HB2 H 1.918 0.020 2 474 140 46 LYS HB3 H 1.782 0.020 2 475 140 46 LYS HG2 H 1.555 0.020 2 476 140 46 LYS HG3 H 1.385 0.020 2 477 140 46 LYS HD2 H 1.658 0.020 2 478 140 46 LYS HD3 H 1.658 0.020 2 479 140 46 LYS HE2 H 2.902 0.020 2 480 140 46 LYS HE3 H 2.902 0.020 2 481 140 46 LYS C C 174.182 0.200 1 482 140 46 LYS CA C 55.738 0.200 1 483 140 46 LYS CB C 29.829 0.200 1 484 140 46 LYS CG C 21.966 0.200 1 485 140 46 LYS CD C 27.035 0.200 1 486 140 46 LYS CE C 39.090 0.200 1 487 140 46 LYS N N 124.540 0.200 1 488 141 47 THR H H 8.477 0.020 1 489 141 47 THR HA H 4.200 0.020 1 490 141 47 THR HB H 4.085 0.020 1 491 141 47 THR HG2 H 1.109 0.020 1 492 141 47 THR C C 172.694 0.200 1 493 141 47 THR CA C 60.690 0.200 1 494 141 47 THR CB C 66.700 0.200 1 495 141 47 THR CG2 C 19.110 0.200 1 496 141 47 THR N N 109.766 0.200 1 497 142 48 LYS H H 7.078 0.020 1 498 142 48 LYS HA H 4.293 0.020 1 499 142 48 LYS HB2 H 1.378 0.020 2 500 142 48 LYS HB3 H 0.616 0.020 2 501 142 48 LYS HG2 H 0.913 0.020 2 502 142 48 LYS HG3 H 0.913 0.020 2 503 142 48 LYS HD2 H 1.385 0.020 2 504 142 48 LYS HD3 H 1.263 0.020 2 505 142 48 LYS HE2 H 2.727 0.020 2 506 142 48 LYS HE3 H 2.727 0.020 2 507 142 48 LYS C C 173.009 0.200 1 508 142 48 LYS CA C 53.557 0.200 1 509 142 48 LYS CB C 33.173 0.200 1 510 142 48 LYS CG C 21.636 0.200 1 511 142 48 LYS CD C 26.260 0.200 1 512 142 48 LYS CE C 39.195 0.200 1 513 142 48 LYS N N 118.834 0.200 1 514 143 49 HIS H H 8.044 0.020 1 515 143 49 HIS HA H 5.411 0.020 1 516 143 49 HIS HB2 H 2.713 0.020 2 517 143 49 HIS HB3 H 2.060 0.020 2 518 143 49 HIS HD2 H 6.437 0.020 1 519 143 49 HIS C C 170.614 0.200 1 520 143 49 HIS CA C 51.177 0.200 1 521 143 49 HIS CB C 33.980 0.200 1 522 143 49 HIS N N 121.743 0.200 1 523 144 50 ASP H H 9.037 0.020 1 524 144 50 ASP HA H 5.194 0.020 1 525 144 50 ASP HB2 H 2.411 0.020 2 526 144 50 ASP HB3 H 2.411 0.020 2 527 144 50 ASP C C 171.326 0.200 1 528 144 50 ASP CA C 50.729 0.200 1 529 144 50 ASP CB C 44.169 0.200 1 530 144 50 ASP N N 118.538 0.200 1 531 145 51 LEU H H 9.211 0.020 1 532 145 51 LEU HA H 5.195 0.020 1 533 145 51 LEU HB2 H 1.783 0.020 2 534 145 51 LEU HB3 H 1.160 0.020 2 535 145 51 LEU HG H 1.341 0.020 1 536 145 51 LEU HD1 H 0.397 0.020 2 537 145 51 LEU HD2 H 0.546 0.020 2 538 145 51 LEU C C 172.097 0.200 1 539 145 51 LEU CA C 50.489 0.200 1 540 145 51 LEU CB C 42.073 0.200 1 541 145 51 LEU CG C 23.702 0.200 1 542 145 51 LEU CD1 C 23.297 0.200 2 543 145 51 LEU CD2 C 21.361 0.200 2 544 145 51 LEU N N 123.222 0.200 1 545 146 52 TYR H H 9.729 0.020 1 546 146 52 TYR HA H 5.125 0.020 1 547 146 52 TYR HB2 H 2.886 0.020 2 548 146 52 TYR HB3 H 2.668 0.020 2 549 146 52 TYR HD1 H 6.775 0.020 3 550 146 52 TYR HD2 H 6.775 0.020 3 551 146 52 TYR HE1 H 6.698 0.020 3 552 146 52 TYR HE2 H 6.698 0.020 3 553 146 52 TYR C C 172.960 0.200 1 554 146 52 TYR CA C 54.224 0.200 1 555 146 52 TYR CB C 39.521 0.200 1 556 146 52 TYR N N 124.523 0.200 1 557 147 53 TYR H H 8.847 0.020 1 558 147 53 TYR HA H 4.981 0.020 1 559 147 53 TYR HB2 H 2.770 0.020 2 560 147 53 TYR HB3 H 2.770 0.020 2 561 147 53 TYR HD1 H 7.091 0.020 3 562 147 53 TYR HD2 H 7.091 0.020 3 563 147 53 TYR HE1 H 6.712 0.020 3 564 147 53 TYR HE2 H 6.712 0.020 3 565 147 53 TYR C C 172.603 0.200 1 566 147 53 TYR CA C 53.023 0.200 1 567 147 53 TYR CB C 37.861 0.200 1 568 147 53 TYR N N 120.278 0.200 1 569 148 54 ASN H H 9.240 0.020 1 570 148 54 ASN HA H 3.931 0.020 1 571 148 54 ASN HB2 H 2.705 0.020 2 572 148 54 ASN HB3 H 2.375 0.020 2 573 148 54 ASN HD21 H 6.976 0.020 2 574 148 54 ASN HD22 H 6.558 0.020 2 575 148 54 ASN C C 171.666 0.200 1 576 148 54 ASN CA C 52.146 0.200 1 577 148 54 ASN CB C 33.744 0.200 1 578 148 54 ASN N N 127.571 0.200 1 579 148 54 ASN ND2 N 113.160 0.200 1 580 149 55 MET H H 8.435 0.020 1 581 149 55 MET HA H 4.332 0.020 1 582 149 55 MET HB2 H 2.563 0.020 2 583 149 55 MET HB3 H 2.380 0.020 2 584 149 55 MET HG2 H 2.245 0.020 2 585 149 55 MET HG3 H 2.128 0.020 2 586 149 55 MET HE H 1.972 0.020 1 587 149 55 MET C C 172.569 0.200 1 588 149 55 MET CA C 53.375 0.200 1 589 149 55 MET CB C 29.579 0.200 1 590 149 55 MET CG C 28.237 0.200 1 591 149 55 MET CE C 13.918 0.200 1 592 149 55 MET N N 114.800 0.200 1 593 150 56 ASP H H 8.049 0.020 1 594 150 56 ASP HA H 4.901 0.020 1 595 150 56 ASP HB2 H 2.673 0.020 2 596 150 56 ASP HB3 H 2.561 0.020 2 597 150 56 ASP C C 171.523 0.200 1 598 150 56 ASP CA C 50.774 0.200 1 599 150 56 ASP CB C 40.618 0.200 1 600 150 56 ASP N N 120.771 0.200 1 601 151 57 ILE H H 8.167 0.020 1 602 151 57 ILE HA H 3.432 0.020 1 603 151 57 ILE HB H 1.308 0.020 1 604 151 57 ILE HG12 H 0.995 0.020 2 605 151 57 ILE HG13 H 0.056 0.020 2 606 151 57 ILE HG2 H 0.597 0.020 1 607 151 57 ILE HD1 H 0.676 0.020 1 608 151 57 ILE C C 173.911 0.200 1 609 151 57 ILE CA C 58.923 0.200 1 610 151 57 ILE CB C 36.323 0.200 1 611 151 57 ILE CG1 C 26.632 0.200 1 612 151 57 ILE CG2 C 14.089 0.200 1 613 151 57 ILE CD1 C 11.123 0.200 1 614 151 57 ILE N N 122.426 0.200 1 615 152 58 LEU H H 8.879 0.020 1 616 152 58 LEU HA H 4.347 0.020 1 617 152 58 LEU HB2 H 1.556 0.020 2 618 152 58 LEU HB3 H 1.094 0.020 2 619 152 58 LEU HG H 1.528 0.020 1 620 152 58 LEU HD1 H 0.659 0.020 2 621 152 58 LEU HD2 H 0.753 0.020 2 622 152 58 LEU C C 171.941 0.200 1 623 152 58 LEU CA C 50.434 0.200 1 624 152 58 LEU CB C 39.131 0.200 1 625 152 58 LEU CG C 23.841 0.200 1 626 152 58 LEU CD1 C 22.935 0.200 2 627 152 58 LEU CD2 C 20.957 0.200 2 628 152 58 LEU N N 130.060 0.200 1 629 153 59 ASP H H 8.263 0.020 1 630 153 59 ASP HA H 4.401 0.020 1 631 153 59 ASP HB2 H 2.586 0.020 2 632 153 59 ASP HB3 H 2.586 0.020 2 633 153 59 ASP C C 173.776 0.200 1 634 153 59 ASP CA C 51.498 0.200 1 635 153 59 ASP CB C 39.232 0.200 1 636 153 59 ASP N N 123.724 0.200 1 637 154 60 SER H H 8.148 0.020 1 638 154 60 SER HA H 3.946 0.020 1 639 154 60 SER HB2 H 4.041 0.020 2 640 154 60 SER HB3 H 3.925 0.020 2 641 154 60 SER C C 171.147 0.200 1 642 154 60 SER CA C 57.414 0.200 1 643 154 60 SER CB C 60.625 0.200 1 644 154 60 SER N N 118.520 0.200 1 645 155 61 ASN H H 8.447 0.020 1 646 155 61 ASN HA H 4.669 0.020 1 647 155 61 ASN HB2 H 2.740 0.020 2 648 155 61 ASN HB3 H 2.740 0.020 2 649 155 61 ASN HD21 H 7.809 0.020 2 650 155 61 ASN HD22 H 6.864 0.020 2 651 155 61 ASN C C 173.214 0.200 1 652 155 61 ASN CA C 50.617 0.200 1 653 155 61 ASN CB C 36.386 0.200 1 654 155 61 ASN N N 117.858 0.200 1 655 155 61 ASN ND2 N 115.103 0.200 1 656 156 62 ARG H H 7.573 0.020 1 657 156 62 ARG HA H 4.275 0.020 1 658 156 62 ARG HB2 H 2.021 0.020 2 659 156 62 ARG HB3 H 1.858 0.020 2 660 156 62 ARG HG2 H 1.802 0.020 2 661 156 62 ARG HG3 H 1.672 0.020 2 662 156 62 ARG HD2 H 3.264 0.020 2 663 156 62 ARG HD3 H 3.099 0.020 2 664 156 62 ARG C C 173.254 0.200 1 665 156 62 ARG CA C 54.165 0.200 1 666 156 62 ARG CB C 28.513 0.200 1 667 156 62 ARG CG C 24.911 0.200 1 668 156 62 ARG CD C 40.903 0.200 1 669 156 62 ARG N N 120.412 0.200 1 670 157 63 THR H H 8.074 0.020 1 671 157 63 THR HA H 4.299 0.020 1 672 157 63 THR HB H 4.350 0.020 1 673 157 63 THR HG2 H 1.123 0.020 1 674 157 63 THR C C 171.802 0.200 1 675 157 63 THR CA C 58.545 0.200 1 676 157 63 THR CB C 66.406 0.200 1 677 157 63 THR CG2 C 18.771 0.200 1 678 157 63 THR N N 111.331 0.200 1 679 158 64 GLN H H 7.212 0.020 1 680 158 64 GLN HA H 4.300 0.020 1 681 158 64 GLN HB2 H 2.073 0.020 2 682 158 64 GLN HB3 H 1.788 0.020 2 683 158 64 GLN HG2 H 2.403 0.020 2 684 158 64 GLN HG3 H 2.303 0.020 2 685 158 64 GLN HE21 H 7.467 0.020 2 686 158 64 GLN HE22 H 6.811 0.020 2 687 158 64 GLN C C 171.791 0.200 1 688 158 64 GLN CA C 54.040 0.200 1 689 158 64 GLN CB C 28.518 0.200 1 690 158 64 GLN CG C 32.744 0.200 1 691 158 64 GLN N N 121.132 0.200 1 692 158 64 GLN NE2 N 112.264 0.200 1 693 159 65 SER H H 8.675 0.020 1 694 159 65 SER HA H 4.914 0.020 1 695 159 65 SER HB2 H 4.073 0.020 2 696 159 65 SER HB3 H 3.816 0.020 2 697 159 65 SER C C 172.686 0.200 1 698 159 65 SER CA C 53.828 0.200 1 699 159 65 SER CB C 63.291 0.200 1 700 159 65 SER N N 116.035 0.200 1 701 160 66 LEU H H 8.165 0.020 1 702 160 66 LEU HA H 3.750 0.020 1 703 160 66 LEU HB2 H 1.830 0.020 2 704 160 66 LEU HB3 H 1.176 0.020 2 705 160 66 LEU HG H 2.074 0.020 1 706 160 66 LEU HD1 H 0.791 0.020 2 707 160 66 LEU HD2 H 0.500 0.020 2 708 160 66 LEU C C 176.536 0.200 1 709 160 66 LEU CA C 55.384 0.200 1 710 160 66 LEU CB C 36.695 0.200 1 711 160 66 LEU CG C 23.626 0.200 1 712 160 66 LEU CD1 C 23.791 0.200 2 713 160 66 LEU CD2 C 18.960 0.200 2 714 160 66 LEU N N 117.232 0.200 1 715 161 67 LYS H H 8.279 0.020 1 716 161 67 LYS HA H 3.996 0.020 1 717 161 67 LYS HB2 H 1.643 0.020 2 718 161 67 LYS HB3 H 1.596 0.020 2 719 161 67 LYS HG2 H 1.244 0.020 2 720 161 67 LYS HG3 H 1.201 0.020 2 721 161 67 LYS HD2 H 1.499 0.020 2 722 161 67 LYS HD3 H 1.464 0.020 2 723 161 67 LYS HE2 H 2.829 0.020 2 724 161 67 LYS HE3 H 2.829 0.020 2 725 161 67 LYS C C 177.885 0.200 1 726 161 67 LYS CA C 56.215 0.200 1 727 161 67 LYS CB C 30.046 0.200 1 728 161 67 LYS CG C 21.452 0.200 1 729 161 67 LYS CD C 26.680 0.200 1 730 161 67 LYS CE C 39.396 0.200 1 731 161 67 LYS N N 117.371 0.200 1 732 162 68 GLU H H 7.785 0.020 1 733 162 68 GLU HA H 3.888 0.020 1 734 162 68 GLU HB2 H 1.959 0.020 2 735 162 68 GLU HB3 H 1.959 0.020 2 736 162 68 GLU HG2 H 2.261 0.020 2 737 162 68 GLU HG3 H 2.221 0.020 2 738 162 68 GLU C C 175.783 0.200 1 739 162 68 GLU CA C 56.189 0.200 1 740 162 68 GLU CB C 27.097 0.200 1 741 162 68 GLU CG C 34.801 0.200 1 742 162 68 GLU N N 121.556 0.200 1 743 163 69 LEU H H 7.761 0.020 1 744 163 69 LEU HA H 4.077 0.020 1 745 163 69 LEU HB2 H 1.767 0.020 2 746 163 69 LEU HB3 H 1.370 0.020 2 747 163 69 LEU HG H 1.655 0.020 1 748 163 69 LEU HD1 H 0.669 0.020 2 749 163 69 LEU HD2 H 0.729 0.020 2 750 163 69 LEU C C 174.035 0.200 1 751 163 69 LEU CA C 52.855 0.200 1 752 163 69 LEU CB C 39.739 0.200 1 753 163 69 LEU CG C 23.948 0.200 1 754 163 69 LEU CD1 C 24.118 0.200 2 755 163 69 LEU CD2 C 20.315 0.200 2 756 163 69 LEU N N 118.309 0.200 1 757 164 70 GLY H H 7.541 0.020 1 758 164 70 GLY HA2 H 4.159 0.020 1 759 164 70 GLY HA3 H 3.582 0.020 1 760 164 70 GLY C C 171.419 0.200 1 761 164 70 GLY CA C 42.400 0.200 1 762 164 70 GLY N N 105.113 0.200 1 763 165 71 LEU H H 7.092 0.020 1 764 165 71 LEU HA H 4.099 0.020 1 765 165 71 LEU HB2 H 1.211 0.020 2 766 165 71 LEU HB3 H 1.211 0.020 2 767 165 71 LEU HG H 1.109 0.020 1 768 165 71 LEU HD1 H 0.442 0.020 2 769 165 71 LEU HD2 H 0.180 0.020 2 770 165 71 LEU C C 173.046 0.200 1 771 165 71 LEU CA C 53.143 0.200 1 772 165 71 LEU CB C 39.851 0.200 1 773 165 71 LEU CG C 25.839 0.200 1 774 165 71 LEU CD1 C 23.126 0.200 2 775 165 71 LEU CD2 C 21.343 0.200 2 776 165 71 LEU N N 119.694 0.200 1 777 166 72 LYS H H 8.762 0.020 1 778 166 72 LYS HA H 4.479 0.020 1 779 166 72 LYS HB2 H 1.726 0.020 2 780 166 72 LYS HB3 H 1.692 0.020 2 781 166 72 LYS HG2 H 1.456 0.020 2 782 166 72 LYS HG3 H 1.366 0.020 2 783 166 72 LYS HD2 H 1.629 0.020 2 784 166 72 LYS HD3 H 1.629 0.020 2 785 166 72 LYS HE2 H 3.009 0.020 2 786 166 72 LYS HE3 H 3.009 0.020 2 787 166 72 LYS C C 172.130 0.200 1 788 166 72 LYS CA C 51.673 0.200 1 789 166 72 LYS CB C 32.767 0.200 1 790 166 72 LYS CG C 20.981 0.200 1 791 166 72 LYS CD C 26.299 0.200 1 792 166 72 LYS CE C 39.510 0.200 1 793 166 72 LYS N N 120.238 0.200 1 794 167 73 THR H H 8.193 0.020 1 795 167 73 THR HA H 4.099 0.020 1 796 167 73 THR HB H 4.091 0.020 1 797 167 73 THR HG1 H 4.477 0.020 1 798 167 73 THR HG2 H 1.213 0.020 1 799 167 73 THR C C 171.075 0.200 1 800 167 73 THR CA C 61.596 0.200 1 801 167 73 THR CB C 66.846 0.200 1 802 167 73 THR CG2 C 18.283 0.200 1 803 167 73 THR N N 112.584 0.200 1 804 168 74 ASP H H 8.875 0.020 1 805 168 74 ASP HA H 4.449 0.020 1 806 168 74 ASP HB2 H 3.040 0.020 2 807 168 74 ASP HB3 H 2.851 0.020 2 808 168 74 ASP C C 172.811 0.200 1 809 168 74 ASP CA C 53.643 0.200 1 810 168 74 ASP CB C 36.760 0.200 1 811 168 74 ASP N N 120.502 0.200 1 812 169 75 ASP H H 7.871 0.020 1 813 169 75 ASP HA H 4.816 0.020 1 814 169 75 ASP HB2 H 2.933 0.020 2 815 169 75 ASP HB3 H 2.446 0.020 2 816 169 75 ASP C C 171.282 0.200 1 817 169 75 ASP CA C 52.436 0.200 1 818 169 75 ASP CB C 40.506 0.200 1 819 169 75 ASP N N 121.364 0.200 1 820 170 76 LEU H H 8.097 0.020 1 821 170 76 LEU HA H 5.205 0.020 1 822 170 76 LEU HB2 H 1.654 0.020 2 823 170 76 LEU HB3 H 1.411 0.020 2 824 170 76 LEU HG H 1.327 0.020 1 825 170 76 LEU HD1 H 0.776 0.020 2 826 170 76 LEU HD2 H 0.775 0.020 2 827 170 76 LEU C C 173.496 0.200 1 828 170 76 LEU CA C 50.766 0.200 1 829 170 76 LEU CB C 42.906 0.200 1 830 170 76 LEU CG C 24.723 0.200 1 831 170 76 LEU CD1 C 23.220 0.200 2 832 170 76 LEU CD2 C 21.844 0.200 2 833 170 76 LEU N N 121.018 0.200 1 834 171 77 LEU H H 8.832 0.020 1 835 171 77 LEU HA H 5.173 0.020 1 836 171 77 LEU HB2 H 1.619 0.020 2 837 171 77 LEU HB3 H 1.412 0.020 2 838 171 77 LEU HG H 1.602 0.020 1 839 171 77 LEU HD1 H 0.657 0.020 2 840 171 77 LEU HD2 H 0.791 0.020 2 841 171 77 LEU C C 172.309 0.200 1 842 171 77 LEU CA C 50.683 0.200 1 843 171 77 LEU CB C 42.003 0.200 1 844 171 77 LEU CG C 24.787 0.200 1 845 171 77 LEU CD1 C 23.458 0.200 2 846 171 77 LEU CD2 C 21.811 0.200 2 847 171 77 LEU N N 124.862 0.200 1 848 172 78 LEU H H 8.749 0.020 1 849 172 78 LEU HA H 5.442 0.020 1 850 172 78 LEU HB2 H 1.564 0.020 2 851 172 78 LEU HB3 H 1.416 0.020 2 852 172 78 LEU HG H 1.575 0.020 1 853 172 78 LEU HD1 H 0.754 0.020 1 854 172 78 LEU C C 173.470 0.200 1 855 172 78 LEU CA C 50.643 0.200 1 856 172 78 LEU CB C 42.887 0.200 1 857 172 78 LEU CG C 24.877 0.200 1 858 172 78 LEU CD1 C 21.869 0.200 1 859 172 78 LEU CD2 C 21.972 0.200 1 860 172 78 LEU N N 120.993 0.200 1 861 173 79 ILE H H 8.995 0.020 1 862 173 79 ILE HA H 4.767 0.020 1 863 173 79 ILE HB H 1.571 0.020 1 864 173 79 ILE HG12 H 1.560 0.020 2 865 173 79 ILE HG13 H 0.865 0.020 2 866 173 79 ILE HG2 H 0.560 0.020 1 867 173 79 ILE HD1 H 0.747 0.020 1 868 173 79 ILE C C 172.167 0.200 1 869 173 79 ILE CA C 58.772 0.200 1 870 173 79 ILE CB C 37.255 0.200 1 871 173 79 ILE CG1 C 24.656 0.200 1 872 173 79 ILE CG2 C 14.314 0.200 1 873 173 79 ILE CD1 C 12.126 0.200 1 874 173 79 ILE N N 122.853 0.200 1 875 174 80 ARG H H 8.719 0.020 1 876 174 80 ARG HA H 4.677 0.020 1 877 174 80 ARG HB2 H 1.881 0.020 2 878 174 80 ARG HB3 H 1.563 0.020 2 879 174 80 ARG HG2 H 1.434 0.020 2 880 174 80 ARG HG3 H 1.282 0.020 2 881 174 80 ARG HD2 H 2.307 0.020 2 882 174 80 ARG HD3 H 2.145 0.020 2 883 174 80 ARG C C 172.976 0.200 1 884 174 80 ARG CA C 51.432 0.200 1 885 174 80 ARG CB C 32.071 0.200 1 886 174 80 ARG CG C 25.148 0.200 1 887 174 80 ARG CD C 39.918 0.200 1 888 174 80 ARG N N 123.857 0.200 1 889 175 81 GLY H H 8.819 0.020 1 890 175 81 GLY HA2 H 4.365 0.020 2 891 175 81 GLY HA3 H 3.816 0.020 2 892 175 81 GLY C C 171.907 0.200 1 893 175 81 GLY CA C 42.856 0.200 1 894 175 81 GLY N N 107.316 0.200 1 895 176 82 LYS H H 7.892 0.020 1 896 176 82 LYS HA H 4.186 0.020 1 897 176 82 LYS HB2 H 1.594 0.020 2 898 176 82 LYS HB3 H 1.332 0.020 2 899 176 82 LYS HG2 H 1.336 0.020 2 900 176 82 LYS HG3 H 0.989 0.020 2 901 176 82 LYS HD2 H 1.443 0.020 2 902 176 82 LYS HD3 H 1.318 0.020 2 903 176 82 LYS HE2 H 2.841 0.020 2 904 176 82 LYS HE3 H 2.689 0.020 2 905 176 82 LYS C C 174.264 0.200 1 906 176 82 LYS CA C 54.457 0.200 1 907 176 82 LYS CB C 30.881 0.200 1 908 176 82 LYS CG C 22.560 0.200 1 909 176 82 LYS CD C 26.146 0.200 1 910 176 82 LYS CE C 39.663 0.200 1 911 176 82 LYS N N 123.236 0.200 1 912 177 83 ILE H H 8.336 0.020 1 913 177 83 ILE HA H 4.125 0.020 1 914 177 83 ILE HB H 1.823 0.020 1 915 177 83 ILE HG12 H 1.471 0.020 2 916 177 83 ILE HG13 H 1.211 0.020 2 917 177 83 ILE HG2 H 0.864 0.020 1 918 177 83 ILE HD1 H 0.815 0.020 1 919 177 83 ILE C C 173.624 0.200 1 920 177 83 ILE CA C 58.457 0.200 1 921 177 83 ILE CB C 35.974 0.200 1 922 177 83 ILE CG1 C 24.436 0.200 1 923 177 83 ILE CG2 C 14.802 0.200 1 924 177 83 ILE CD1 C 10.073 0.200 1 925 177 83 ILE N N 123.107 0.200 1 926 178 84 SER H H 8.321 0.020 1 927 178 84 SER HA H 4.412 0.020 1 928 178 84 SER HB2 H 3.843 0.020 2 929 178 84 SER HB3 H 3.766 0.020 2 930 178 84 SER C C 171.390 0.200 1 931 178 84 SER CA C 55.133 0.200 1 932 178 84 SER CB C 61.209 0.200 1 933 178 84 SER N N 119.794 0.200 1 934 179 85 ASN H H 8.434 0.020 1 935 179 85 ASN HA H 4.739 0.020 1 936 179 85 ASN HB2 H 2.771 0.020 2 937 179 85 ASN HB3 H 2.694 0.020 2 938 179 85 ASN C C 171.591 0.200 1 939 179 85 ASN CA C 50.627 0.200 1 940 179 85 ASN CB C 36.475 0.200 1 941 179 85 ASN N N 121.785 0.200 1 942 180 86 SER H H 7.869 0.020 1 943 180 86 SER HA H 4.182 0.020 1 944 180 86 SER HB2 H 3.763 0.020 2 945 180 86 SER HB3 H 3.763 0.020 2 946 180 86 SER C C 171.589 0.200 1 947 180 86 SER CA C 57.319 0.200 1 948 180 86 SER CB C 62.161 0.200 1 949 180 86 SER N N 121.260 0.200 1 stop_ save_