data_27166 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for LisH Domain of GID8 ; _BMRB_accession_number 27166 _BMRB_flat_file_name bmr27166.str _Entry_type original _Submission_date 2017-07-03 _Accession_date 2017-07-03 _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 Araujo Talita S. . 2 Almeida Marcius S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 229 "13C chemical shifts" 210 "15N chemical shifts" 54 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-06 update BMRB 'update entry citation' 2017-08-04 original author 'original release' stop_ _Original_release_date 2017-07-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N chemical shift assignment of lissencephaly-1 homology (LisH) domain homodimer of human two-hybrid-associated protein 1 with RanBPM (Twa1) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29067546 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Araujo Talita S. . 2 Almeida Marcius S. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 99 _Page_last 102 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'LisH dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'LisH, chain 1' $LisH-GID8 'LisH, chain 2' $LisH-GID8 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_LisH-GID8 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LisH-GID8 _Molecular_mass 6948.83 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; SYAEKPDEITKDEWMEKLNN LHVQRADMNRLIMNYLVTEG FKEAAEKFRMESGIEPSVD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 TYR 3 3 ALA 4 4 GLU 5 5 LYS 6 6 PRO 7 7 ASP 8 8 GLU 9 9 ILE 10 10 THR 11 11 LYS 12 12 ASP 13 13 GLU 14 14 TRP 15 15 MET 16 16 GLU 17 17 LYS 18 18 LEU 19 19 ASN 20 20 ASN 21 21 LEU 22 22 HIS 23 23 VAL 24 24 GLN 25 25 ARG 26 26 ALA 27 27 ASP 28 28 MET 29 29 ASN 30 30 ARG 31 31 LEU 32 32 ILE 33 33 MET 34 34 ASN 35 35 TYR 36 36 LEU 37 37 VAL 38 38 THR 39 39 GLU 40 40 GLY 41 41 PHE 42 42 LYS 43 43 GLU 44 44 ALA 45 45 ALA 46 46 GLU 47 47 LYS 48 48 PHE 49 49 ARG 50 50 MET 51 51 GLU 52 52 SER 53 53 GLY 54 54 ILE 55 55 GLU 56 56 PRO 57 57 SER 58 58 VAL 59 59 ASP 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 $LisH-GID8 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 $LisH-GID8 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET25b 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 $LisH-GID8 0.7 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 250 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version 1.9.1.5 loop_ _Vendor _Address _Electronic_address 'Peter G ntert et al' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details ; CARA (Computer Aided Resonance Assignment) Release: 1.9.1.5 Date: 2016-01-11 ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model ASCEND _Field_strength 700 _Details . save_ save_spectrometer_3 _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_1H-13C_NOESY_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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' 0.25 . M pH 7 . 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 1H-13C NOESY aromatic' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HCCH-COSY' 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 'LisH, chain 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 SER HA H 3.772 0.020 1 2 1 1 SER CA C 57.609 0.3 1 3 1 1 SER CB C 64.475 0.3 1 4 2 2 TYR HA H 4.503 0.020 1 5 2 2 TYR HB2 H 2.912 0.020 2 6 2 2 TYR HB3 H 2.989 0.020 2 7 2 2 TYR CA C 57.848 0.3 1 8 2 2 TYR CB C 38.572 0.3 1 9 2 2 TYR CD1 C 133.022 0.3 1 10 2 2 TYR CD2 C 133.022 0.3 1 11 2 2 TYR CE1 C 118.068 0.3 1 12 2 2 TYR CE2 C 118.068 0.3 1 13 3 3 ALA H H 8.124 0.020 1 14 3 3 ALA HA H 4.197 0.020 1 15 3 3 ALA CA C 52.045 0.3 1 16 3 3 ALA CB C 19.170 0.3 1 17 4 4 GLU H H 8.114 0.020 1 18 4 4 GLU HA H 4.149 0.020 1 19 4 4 GLU HB2 H 1.845 0.020 2 20 4 4 GLU HB3 H 1.944 0.020 2 21 4 4 GLU CA C 56.266 0.3 1 22 4 4 GLU CB C 30.090 0.3 1 23 4 4 GLU CG C 36.149 0.3 1 24 4 4 GLU N N 119.815 0.3 1 25 5 5 LYS H H 8.234 0.020 1 26 5 5 LYS HA H 4.508 0.020 1 27 5 5 LYS HB2 H 1.623 0.020 2 28 5 5 LYS HB3 H 1.737 0.020 2 29 5 5 LYS CA C 53.813 0.3 1 30 5 5 LYS CB C 32.439 0.3 1 31 5 5 LYS CG C 24.167 0.3 1 32 5 5 LYS CD C 28.998 0.3 1 33 5 5 LYS CE C 41.918 0.3 1 34 5 5 LYS N N 122.805 0.3 1 35 6 6 PRO HA H 4.343 0.020 1 36 6 6 PRO HB2 H 1.850 0.020 2 37 6 6 PRO HB3 H 2.211 0.020 2 38 6 6 PRO HG2 H 1.914 0.020 2 39 6 6 PRO HG3 H 1.986 0.020 2 40 6 6 PRO CA C 63.056 0.3 1 41 6 6 PRO CB C 31.799 0.3 1 42 6 6 PRO CG C 27.077 0.3 1 43 6 6 PRO CD C 50.419 0.3 1 44 7 7 ASP H H 8.371 0.020 1 45 7 7 ASP HA H 4.459 0.020 1 46 7 7 ASP HB2 H 2.543 0.020 2 47 7 7 ASP HB3 H 2.609 0.020 2 48 7 7 ASP CA C 54.418 0.3 1 49 7 7 ASP CB C 40.701 0.3 1 50 7 7 ASP N N 119.550 0.3 1 51 8 8 GLU H H 8.126 0.020 1 52 8 8 GLU HA H 4.242 0.020 1 53 8 8 GLU HB2 H 1.848 0.020 2 54 8 8 GLU HB3 H 1.975 0.020 2 55 8 8 GLU CA C 56.358 0.3 1 56 8 8 GLU CB C 30.292 0.3 1 57 8 8 GLU CG C 36.132 0.3 1 58 8 8 GLU N N 120.452 0.3 1 59 9 9 ILE H H 8.045 0.020 1 60 9 9 ILE HA H 4.148 0.020 1 61 9 9 ILE HB H 1.763 0.020 1 62 9 9 ILE HG12 H 1.039 0.020 2 63 9 9 ILE HG13 H 1.399 0.020 2 64 9 9 ILE CA C 61.133 0.3 1 65 9 9 ILE CB C 38.390 0.3 1 66 9 9 ILE CG1 C 27.209 0.3 1 67 9 9 ILE CG2 C 17.004 0.3 1 68 9 9 ILE CD1 C 12.768 0.3 1 69 9 9 ILE N N 121.822 0.3 1 70 10 10 THR H H 8.257 0.020 1 71 10 10 THR HA H 4.307 0.020 1 72 10 10 THR HB H 4.348 0.020 1 73 10 10 THR CA C 61.698 0.3 1 74 10 10 THR CB C 70.125 0.3 1 75 10 10 THR CG2 C 21.634 0.3 1 76 10 10 THR N N 117.789 0.3 1 77 11 11 LYS H H 8.491 0.020 1 78 11 11 LYS HA H 4.060 0.020 1 79 11 11 LYS CA C 58.186 0.3 1 80 11 11 LYS CB C 31.970 0.3 1 81 11 11 LYS CG C 24.427 0.3 1 82 11 11 LYS CD C 29.046 0.3 1 83 11 11 LYS CE C 41.862 0.3 1 84 11 11 LYS N N 122.504 0.3 1 85 12 12 ASP H H 8.230 0.020 1 86 12 12 ASP HA H 4.418 0.020 1 87 12 12 ASP HB2 H 2.505 0.020 2 88 12 12 ASP HB3 H 2.596 0.020 2 89 12 12 ASP CA C 55.734 0.3 1 90 12 12 ASP CB C 40.676 0.3 1 91 12 12 ASP N N 119.332 0.3 1 92 13 13 GLU H H 8.113 0.020 1 93 13 13 GLU HA H 4.009 0.020 1 94 13 13 GLU HB2 H 1.877 0.020 2 95 13 13 GLU HB3 H 2.022 0.020 2 96 13 13 GLU CA C 58.577 0.3 1 97 13 13 GLU CB C 29.197 0.3 1 98 13 13 GLU CG C 36.201 0.3 1 99 13 13 GLU N N 121.692 0.3 1 100 14 14 TRP H H 8.199 0.020 1 101 14 14 TRP HA H 4.288 0.020 1 102 14 14 TRP HB2 H 3.177 0.020 2 103 14 14 TRP HB3 H 3.282 0.020 2 104 14 14 TRP HD1 H 7.162 0.020 1 105 14 14 TRP HE1 H 10.149 0.020 1 106 14 14 TRP HE3 H 7.348 0.020 1 107 14 14 TRP HZ2 H 7.331 0.020 1 108 14 14 TRP HZ3 H 6.851 0.020 1 109 14 14 TRP HH2 H 6.982 0.020 1 110 14 14 TRP CA C 59.999 0.3 1 111 14 14 TRP CB C 29.017 0.3 1 112 14 14 TRP CD1 C 127.385 0.3 1 113 14 14 TRP CE3 C 120.075 0.3 1 114 14 14 TRP CZ2 C 114.437 0.3 1 115 14 14 TRP CZ3 C 121.317 0.3 1 116 14 14 TRP CH2 C 123.945 0.3 1 117 14 14 TRP N N 120.288 0.3 1 118 14 14 TRP NE1 N 129.233 0.3 1 119 15 15 MET H H 8.002 0.020 1 120 15 15 MET HA H 4.054 0.020 1 121 15 15 MET HG2 H 2.331 0.020 2 122 15 15 MET HG3 H 2.431 0.020 2 123 15 15 MET CA C 57.617 0.3 1 124 15 15 MET CB C 31.258 0.3 1 125 15 15 MET CG C 32.041 0.3 1 126 15 15 MET CE C 16.881 0.3 1 127 15 15 MET N N 117.918 0.3 1 128 16 16 GLU H H 7.772 0.020 1 129 16 16 GLU HA H 4.000 0.020 1 130 16 16 GLU CA C 58.755 0.3 1 131 16 16 GLU CB C 29.232 0.3 1 132 16 16 GLU CG C 35.887 0.3 1 133 16 16 GLU N N 119.303 0.3 1 134 17 17 LYS H H 7.696 0.020 1 135 17 17 LYS HA H 3.983 0.020 1 136 17 17 LYS HB2 H 1.725 0.020 2 137 17 17 LYS HB3 H 1.870 0.020 2 138 17 17 LYS HG2 H 1.365 0.020 2 139 17 17 LYS HG3 H 1.464 0.020 2 140 17 17 LYS HD2 H 1.368 0.020 2 141 17 17 LYS HD3 H 1.480 0.020 2 142 17 17 LYS CA C 58.648 0.3 1 143 17 17 LYS CB C 32.095 0.3 1 144 17 17 LYS CG C 25.297 0.3 1 145 17 17 LYS CD C 28.818 0.3 1 146 17 17 LYS CE C 41.767 0.3 1 147 17 17 LYS N N 118.292 0.3 1 148 18 18 LEU H H 7.962 0.020 1 149 18 18 LEU HA H 3.958 0.020 1 150 18 18 LEU HB2 H 1.520 0.020 2 151 18 18 LEU HB3 H 1.677 0.020 2 152 18 18 LEU HG H 1.674 0.020 1 153 18 18 LEU CA C 56.963 0.3 1 154 18 18 LEU CB C 41.176 0.3 1 155 18 18 LEU CG C 26.771 0.3 1 156 18 18 LEU CD1 C 23.654 0.3 1 157 18 18 LEU CD2 C 25.076 0.3 1 158 18 18 LEU N N 118.572 0.3 1 159 19 19 ASN H H 8.055 0.020 1 160 19 19 ASN HA H 4.412 0.020 1 161 19 19 ASN HD21 H 6.741 0.020 1 162 19 19 ASN HD22 H 7.496 0.020 1 163 19 19 ASN CA C 55.088 0.3 1 164 19 19 ASN CB C 38.309 0.3 1 165 19 19 ASN N N 117.096 0.3 1 166 19 19 ASN ND2 N 111.858 0.3 1 167 20 20 ASN H H 7.818 0.020 1 168 20 20 ASN HA H 4.515 0.020 1 169 20 20 ASN HB2 H 2.696 0.020 2 170 20 20 ASN HB3 H 2.792 0.020 2 171 20 20 ASN HD21 H 6.936 0.020 1 172 20 20 ASN HD22 H 7.523 0.020 1 173 20 20 ASN CA C 53.688 0.3 1 174 20 20 ASN CB C 38.674 0.3 1 175 20 20 ASN N N 116.782 0.3 1 176 20 20 ASN ND2 N 112.943 0.3 1 177 21 21 LEU H H 7.464 0.020 1 178 21 21 LEU HA H 4.149 0.020 1 179 21 21 LEU HB2 H 1.487 0.020 2 180 21 21 LEU HB3 H 1.691 0.020 2 181 21 21 LEU HG H 1.666 0.020 1 182 21 21 LEU CA C 55.270 0.3 1 183 21 21 LEU CB C 42.421 0.3 1 184 21 21 LEU CG C 26.676 0.3 1 185 21 21 LEU CD1 C 25.182 0.3 1 186 21 21 LEU CD2 C 23.592 0.3 1 187 21 21 LEU N N 119.797 0.3 1 188 22 22 HIS HA H 4.423 0.020 1 189 22 22 HIS HD2 H 6.983 0.020 1 190 22 22 HIS HE1 H 8.001 0.020 1 191 22 22 HIS CA C 56.092 0.3 1 192 22 22 HIS CB C 28.368 0.3 1 193 22 22 HIS CD2 C 120.084 0.3 1 194 22 22 HIS CE1 C 137.369 0.3 1 195 23 23 VAL HA H 4.035 0.020 1 196 23 23 VAL HB H 1.873 0.020 1 197 23 23 VAL CA C 61.654 0.3 1 198 23 23 VAL CB C 32.934 0.3 1 199 23 23 VAL CG1 C 21.314 0.3 1 200 23 23 VAL CG2 C 20.964 0.3 1 201 24 24 GLN HA H 4.390 0.020 1 202 24 24 GLN HB2 H 2.004 0.020 2 203 24 24 GLN HB3 H 2.276 0.020 2 204 24 24 GLN HE21 H 6.857 0.020 1 205 24 24 GLN HE22 H 7.528 0.020 1 206 24 24 GLN CA C 55.061 0.3 1 207 24 24 GLN CB C 29.232 0.3 1 208 24 24 GLN CG C 33.919 0.3 1 209 24 24 GLN NE2 N 112.796 0.3 1 210 25 25 ARG HA H 3.690 0.020 1 211 25 25 ARG CA C 57.109 0.3 1 212 25 25 ARG CB C 30.120 0.3 1 213 25 25 ARG CG C 26.407 0.3 1 214 25 25 ARG CD C 43.123 0.3 1 215 26 26 ALA HA H 4.083 0.020 1 216 26 26 ALA CA C 55.126 0.3 1 217 26 26 ALA CB C 18.276 0.3 1 218 27 27 ASP CA C 54.903 0.3 1 219 27 27 ASP CB C 39.192 0.3 1 220 28 28 MET H H 7.969 0.020 1 221 28 28 MET HA H 3.966 0.020 1 222 28 28 MET CA C 58.045 0.3 1 223 28 28 MET CB C 31.459 0.3 1 224 28 28 MET CG C 31.963 0.3 1 225 28 28 MET CE C 16.922 0.3 1 226 28 28 MET N N 120.413 0.3 1 227 29 29 ASN H H 8.716 0.020 1 228 29 29 ASN HA H 4.626 0.020 1 229 29 29 ASN HB2 H 2.614 0.020 2 230 29 29 ASN HB3 H 2.905 0.020 2 231 29 29 ASN HD21 H 6.822 0.020 1 232 29 29 ASN HD22 H 7.725 0.020 1 233 29 29 ASN CA C 55.840 0.3 1 234 29 29 ASN CB C 36.501 0.3 1 235 29 29 ASN N N 117.036 0.3 1 236 29 29 ASN ND2 N 109.501 0.3 1 237 30 30 ARG H H 7.711 0.020 1 238 30 30 ARG HA H 3.914 0.020 1 239 30 30 ARG CA C 59.611 0.3 1 240 30 30 ARG CB C 29.801 0.3 1 241 30 30 ARG CG C 27.644 0.3 1 242 30 30 ARG CD C 42.909 0.3 1 243 30 30 ARG N N 120.700 0.3 1 244 31 31 LEU H H 7.697 0.020 1 245 31 31 LEU HA H 3.978 0.020 1 246 31 31 LEU HB2 H 1.432 0.020 2 247 31 31 LEU HB3 H 1.805 0.020 2 248 31 31 LEU HG H 1.683 0.020 1 249 31 31 LEU CA C 58.093 0.3 1 250 31 31 LEU CB C 41.523 0.3 1 251 31 31 LEU CG C 26.799 0.3 1 252 31 31 LEU CD1 C 23.631 0.3 1 253 31 31 LEU CD2 C 25.115 0.3 1 254 31 31 LEU N N 120.626 0.3 1 255 32 32 ILE H H 8.295 0.020 1 256 32 32 ILE HA H 3.269 0.020 1 257 32 32 ILE HB H 1.652 0.020 1 258 32 32 ILE HG12 H 0.495 0.020 2 259 32 32 ILE HG13 H 1.469 0.020 2 260 32 32 ILE CA C 65.154 0.3 1 261 32 32 ILE CB C 36.889 0.3 1 262 32 32 ILE CG1 C 29.450 0.3 1 263 32 32 ILE CG2 C 16.140 0.3 1 264 32 32 ILE CD1 C 13.720 0.3 1 265 32 32 ILE N N 119.742 0.3 1 266 33 33 MET H H 8.364 0.020 1 267 33 33 MET HA H 4.038 0.020 1 268 33 33 MET CA C 58.538 0.3 1 269 33 33 MET CB C 32.142 0.3 1 270 33 33 MET CG C 32.147 0.3 1 271 33 33 MET CE C 18.731 0.3 1 272 33 33 MET N N 119.174 0.3 1 273 34 34 ASN H H 7.922 0.020 1 274 34 34 ASN HA H 4.366 0.020 1 275 34 34 ASN HB2 H 2.747 0.020 2 276 34 34 ASN HB3 H 2.851 0.020 2 277 34 34 ASN HD21 H 6.920 0.020 1 278 34 34 ASN HD22 H 7.478 0.020 1 279 34 34 ASN CA C 56.160 0.3 1 280 34 34 ASN CB C 38.215 0.3 1 281 34 34 ASN N N 114.974 0.3 1 282 34 34 ASN ND2 N 111.549 0.3 1 283 35 35 TYR H H 8.143 0.020 1 284 35 35 TYR HA H 4.017 0.020 1 285 35 35 TYR CA C 61.990 0.3 1 286 35 35 TYR CB C 38.224 0.3 1 287 35 35 TYR CD1 C 132.762 0.3 1 288 35 35 TYR CD2 C 132.762 0.3 1 289 35 35 TYR CE1 C 118.020 0.3 1 290 35 35 TYR CE2 C 118.020 0.3 1 291 35 35 TYR N N 123.656 0.3 1 292 36 36 LEU H H 8.639 0.020 1 293 36 36 LEU HA H 3.972 0.020 1 294 36 36 LEU HG H 2.064 0.020 1 295 36 36 LEU CA C 58.065 0.3 1 296 36 36 LEU CB C 41.411 0.3 1 297 36 36 LEU CG C 25.777 0.3 1 298 36 36 LEU CD1 C 25.519 0.3 1 299 36 36 LEU CD2 C 23.687 0.3 1 300 36 36 LEU N N 117.131 0.3 1 301 37 37 VAL H H 8.162 0.020 1 302 37 37 VAL HA H 3.427 0.020 1 303 37 37 VAL HB H 2.052 0.020 1 304 37 37 VAL CA C 66.207 0.3 1 305 37 37 VAL CB C 32.087 0.3 1 306 37 37 VAL CG1 C 20.878 0.3 1 307 37 37 VAL CG2 C 22.748 0.3 1 308 37 37 VAL N N 115.537 0.3 1 309 38 38 THR H H 8.332 0.020 1 310 38 38 THR HA H 3.796 0.020 1 311 38 38 THR HB H 4.128 0.020 1 312 38 38 THR CA C 66.178 0.3 1 313 38 38 THR CB C 68.852 0.3 1 314 38 38 THR CG2 C 21.534 0.3 1 315 38 38 THR N N 116.646 0.3 1 316 39 39 GLU H H 7.900 0.020 1 317 39 39 GLU HA H 3.785 0.020 1 318 39 39 GLU HB2 H 0.965 0.020 2 319 39 39 GLU HB3 H 1.331 0.020 2 320 39 39 GLU HG2 H 1.304 0.020 2 321 39 39 GLU HG3 H 1.487 0.020 2 322 39 39 GLU CA C 55.634 0.3 1 323 39 39 GLU CB C 29.140 0.3 1 324 39 39 GLU CG C 35.663 0.3 1 325 39 39 GLU N N 117.928 0.3 1 326 40 40 GLY H H 7.213 0.020 1 327 40 40 GLY HA2 H 3.579 0.020 2 328 40 40 GLY HA3 H 3.885 0.020 2 329 40 40 GLY CA C 45.553 0.3 1 330 40 40 GLY N N 105.055 0.3 1 331 41 41 PHE H H 8.228 0.020 1 332 41 41 PHE HA H 4.750 0.020 1 333 41 41 PHE HB2 H 3.081 0.020 2 334 41 41 PHE HB3 H 3.400 0.020 2 335 41 41 PHE HZ H 7.124 0.020 1 336 41 41 PHE CD1 C 130.853 0.3 1 337 41 41 PHE CD2 C 130.853 0.3 1 338 41 41 PHE CE1 C 129.152 0.3 1 339 41 41 PHE CE2 C 129.152 0.3 1 340 41 41 PHE CZ C 128.606 0.3 1 341 41 41 PHE N N 124.272 0.3 1 342 42 42 LYS H H 7.470 0.020 1 343 42 42 LYS HA H 3.822 0.020 1 344 42 42 LYS HB2 H 1.786 0.020 2 345 42 42 LYS HB3 H 1.835 0.020 2 346 42 42 LYS HG2 H 1.374 0.020 2 347 42 42 LYS HG3 H 1.455 0.020 2 348 42 42 LYS CA C 59.851 0.3 1 349 42 42 LYS CB C 33.185 0.3 1 350 42 42 LYS CG C 24.638 0.3 1 351 42 42 LYS CD C 29.080 0.3 1 352 42 42 LYS CE C 41.861 0.3 1 353 42 42 LYS N N 119.845 0.3 1 354 43 43 GLU H H 11.120 0.020 1 355 43 43 GLU HA H 4.209 0.020 1 356 43 43 GLU HB2 H 1.844 0.020 2 357 43 43 GLU HB3 H 1.970 0.020 2 358 43 43 GLU HG2 H 2.145 0.020 2 359 43 43 GLU HG3 H 2.409 0.020 2 360 43 43 GLU CA C 59.559 0.3 1 361 43 43 GLU CB C 28.831 0.3 1 362 43 43 GLU CG C 37.283 0.3 1 363 43 43 GLU N N 124.093 0.3 1 364 44 44 ALA H H 10.101 0.020 1 365 44 44 ALA HA H 3.909 0.020 1 366 44 44 ALA CA C 55.590 0.3 1 367 44 44 ALA CB C 17.743 0.3 1 368 44 44 ALA N N 126.270 0.3 1 369 45 45 ALA H H 8.679 0.020 1 370 45 45 ALA HA H 3.985 0.020 1 371 45 45 ALA CA C 55.284 0.3 1 372 45 45 ALA CB C 18.077 0.3 1 373 45 45 ALA N N 118.826 0.3 1 374 46 46 GLU H H 7.620 0.020 1 375 46 46 GLU HA H 4.085 0.020 1 376 46 46 GLU HB2 H 2.068 0.020 2 377 46 46 GLU HB3 H 2.155 0.020 2 378 46 46 GLU CA C 58.897 0.3 1 379 46 46 GLU CB C 29.250 0.3 1 380 46 46 GLU CG C 35.561 0.3 1 381 46 46 GLU N N 117.755 0.3 1 382 47 47 LYS H H 7.906 0.020 1 383 47 47 LYS HA H 4.124 0.020 1 384 47 47 LYS HB2 H 1.580 0.020 2 385 47 47 LYS HB3 H 1.856 0.020 2 386 47 47 LYS HG2 H 1.204 0.020 2 387 47 47 LYS HG3 H 1.639 0.020 2 388 47 47 LYS HD2 H 1.471 0.020 2 389 47 47 LYS HD3 H 1.680 0.020 2 390 47 47 LYS HE2 H 2.863 0.020 2 391 47 47 LYS HE3 H 2.932 0.020 2 392 47 47 LYS CA C 56.678 0.3 1 393 47 47 LYS CB C 30.731 0.3 1 394 47 47 LYS CG C 24.365 0.3 1 395 47 47 LYS CD C 27.113 0.3 1 396 47 47 LYS CE C 41.861 0.3 1 397 47 47 LYS N N 116.187 0.3 1 398 48 48 PHE H H 9.201 0.020 1 399 48 48 PHE HA H 3.973 0.020 1 400 48 48 PHE HZ H 7.085 0.020 1 401 48 48 PHE CA C 61.270 0.3 1 402 48 48 PHE CB C 39.111 0.3 1 403 48 48 PHE CD1 C 130.060 0.3 1 404 48 48 PHE CD2 C 130.060 0.3 1 405 48 48 PHE CE1 C 131.397 0.3 1 406 48 48 PHE CE2 C 131.397 0.3 1 407 48 48 PHE N N 120.097 0.3 1 408 49 49 ARG H H 8.709 0.020 1 409 49 49 ARG HA H 3.616 0.020 1 410 49 49 ARG HG2 H 1.501 0.020 2 411 49 49 ARG HG3 H 1.581 0.020 2 412 49 49 ARG HD2 H 3.065 0.020 2 413 49 49 ARG HD3 H 3.159 0.020 2 414 49 49 ARG CA C 59.800 0.3 1 415 49 49 ARG CB C 29.562 0.3 1 416 49 49 ARG CG C 26.742 0.3 1 417 49 49 ARG CD C 43.268 0.3 1 418 49 49 ARG N N 123.000 0.3 1 419 50 50 MET H H 7.139 0.020 1 420 50 50 MET HA H 4.087 0.020 1 421 50 50 MET HG2 H 2.482 0.020 2 422 50 50 MET HG3 H 2.696 0.020 2 423 50 50 MET CA C 58.008 0.3 1 424 50 50 MET CB C 32.358 0.3 1 425 50 50 MET CG C 31.522 0.3 1 426 50 50 MET CE C 16.750 0.3 1 427 50 50 MET N N 116.559 0.3 1 428 51 51 GLU H H 8.544 0.020 1 429 51 51 GLU HA H 3.952 0.020 1 430 51 51 GLU HG2 H 2.185 0.020 2 431 51 51 GLU HG3 H 2.490 0.020 2 432 51 51 GLU CA C 59.110 0.3 1 433 51 51 GLU CB C 31.187 0.3 1 434 51 51 GLU CG C 38.723 0.3 1 435 51 51 GLU N N 118.472 0.3 1 436 52 52 SER H H 8.081 0.020 1 437 52 52 SER HA H 3.911 0.020 1 438 52 52 SER HB2 H 2.237 0.020 2 439 52 52 SER HB3 H 3.247 0.020 2 440 52 52 SER CA C 59.253 0.3 1 441 52 52 SER CB C 64.186 0.3 1 442 52 52 SER N N 111.505 0.3 1 443 53 53 GLY H H 7.318 0.020 1 444 53 53 GLY HA2 H 3.773 0.020 2 445 53 53 GLY HA3 H 3.943 0.020 2 446 53 53 GLY CA C 45.910 0.3 1 447 53 53 GLY N N 110.870 0.3 1 448 54 54 ILE H H 7.336 0.020 1 449 54 54 ILE HA H 3.938 0.020 1 450 54 54 ILE HB H 1.638 0.020 1 451 54 54 ILE HG12 H 1.042 0.020 2 452 54 54 ILE HG13 H 1.318 0.020 2 453 54 54 ILE CA C 61.172 0.3 1 454 54 54 ILE CB C 38.196 0.3 1 455 54 54 ILE CG1 C 27.311 0.3 1 456 54 54 ILE CG2 C 17.484 0.3 1 457 54 54 ILE CD1 C 13.198 0.3 1 458 54 54 ILE N N 119.424 0.3 1 459 55 55 GLU H H 8.117 0.020 1 460 55 55 GLU HA H 4.539 0.020 1 461 55 55 GLU HB2 H 1.756 0.020 2 462 55 55 GLU HB3 H 1.978 0.020 2 463 55 55 GLU CA C 53.600 0.3 1 464 55 55 GLU CB C 29.910 0.3 1 465 55 55 GLU CG C 35.772 0.3 1 466 55 55 GLU N N 123.983 0.3 1 467 56 56 PRO HA H 4.348 0.020 1 468 56 56 PRO HB2 H 1.879 0.020 2 469 56 56 PRO HB3 H 2.200 0.020 2 470 56 56 PRO CA C 62.888 0.3 1 471 56 56 PRO CB C 31.938 0.3 1 472 56 56 PRO CG C 27.064 0.3 1 473 56 56 PRO CD C 50.353 0.3 1 474 57 57 SER H H 8.411 0.020 1 475 57 57 SER HA H 4.434 0.020 1 476 57 57 SER CA C 57.795 0.3 1 477 57 57 SER CB C 63.610 0.3 1 478 57 57 SER N N 116.273 0.3 1 479 58 58 VAL H H 8.124 0.020 1 480 58 58 VAL HA H 4.166 0.020 1 481 58 58 VAL HB H 2.083 0.020 1 482 58 58 VAL CA C 61.663 0.3 1 483 58 58 VAL CB C 32.728 0.3 1 484 58 58 VAL CG1 C 19.579 0.3 1 485 58 58 VAL CG2 C 21.016 0.3 1 486 58 58 VAL N N 121.095 0.3 1 487 59 59 ASP H H 7.876 0.020 1 488 59 59 ASP HA H 4.318 0.020 1 489 59 59 ASP HB2 H 2.466 0.020 2 490 59 59 ASP HB3 H 2.593 0.020 2 491 59 59 ASP CA C 55.626 0.3 1 492 59 59 ASP CB C 42.164 0.3 1 493 59 59 ASP N N 128.585 0.3 1 stop_ save_