data_26575 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Gli3_1_90 assignment ; _BMRB_accession_number 26575 _BMRB_flat_file_name bmr26575.str _Entry_type original _Submission_date 2015-05-08 _Accession_date 2015-05-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'N-terminal 90 residues of Gli3' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pierce Wendy . . 2 Grace Christy . . 3 Mittag Tanja . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 86 "13C chemical shifts" 256 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-12 update BMRB 'update entry citation' 2016-01-05 original author 'original release' stop_ _Original_release_date 2016-01-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Multiple weak linear motifs enhance recruitment and processivity in SPOP-mediated substrate ubiquitination ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26475525 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pierce Wendy K. . 2 Grace Christy R. . 3 Lee Jihun . . 4 Nourse Amanda . . 5 Marzahn Melissa M. . 6 Watson Edmond R. . 7 High Anthony . . 8 Peng Junmin . . 9 Schulman Brenda . . 10 Mittag Tanja . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 428 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1256 _Page_last 1271 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Gli3_1_90 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Gli3_1_90 $Gli3_1_90 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_Gli3_1_90 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Gli3_1_90 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; MEAQSHSSTTTEKKKVENSI VKCSTRTDVSEKAVASSTTS NEDESPGQTYHRERRNAITM QPQNVQGLSKVSEEPSTSSD ERASLIKKEI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLU 3 3 ALA 4 4 GLN 5 5 SER 6 6 HIS 7 7 SER 8 8 SER 9 9 THR 10 10 THR 11 11 THR 12 12 GLU 13 13 LYS 14 14 LYS 15 15 LYS 16 16 VAL 17 17 GLU 18 18 ASN 19 19 SER 20 20 ILE 21 21 VAL 22 22 LYS 23 23 CYS 24 24 SER 25 25 THR 26 26 ARG 27 27 THR 28 28 ASP 29 29 VAL 30 30 SER 31 31 GLU 32 32 LYS 33 33 ALA 34 34 VAL 35 35 ALA 36 36 SER 37 37 SER 38 38 THR 39 39 THR 40 40 SER 41 41 ASN 42 42 GLU 43 43 ASP 44 44 GLU 45 45 SER 46 46 PRO 47 47 GLY 48 48 GLN 49 49 THR 50 50 TYR 51 51 HIS 52 52 ARG 53 53 GLU 54 54 ARG 55 55 ARG 56 56 ASN 57 57 ALA 58 58 ILE 59 59 THR 60 60 MET 61 61 GLN 62 62 PRO 63 63 GLN 64 64 ASN 65 65 VAL 66 66 GLN 67 67 GLY 68 68 LEU 69 69 SER 70 70 LYS 71 71 VAL 72 72 SER 73 73 GLU 74 74 GLU 75 75 PRO 76 76 SER 77 77 THR 78 78 SER 79 79 SER 80 80 ASP 81 81 GLU 82 82 ARG 83 83 ALA 84 84 SER 85 85 LEU 86 86 ILE 87 87 LYS 88 88 LYS 89 89 GLU 90 90 ILE 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 _Gene_mnemonic $Gli3_1_90 Human 9606 Eukaryota Metazoa Homo sapiens Gli3 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 $Gli3_1_90 'recombinant technology' . Escherichia coli . pET28a 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 $Gli3_1_90 1.5 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 2.7 mM 'natural abundance' 'sodium chloride' 50.0 mM 'natural abundance' 'potassium phosphate' 1.76 mM 'natural abundance' 'sodium phosphate' 10.0 mM 'natural abundance' DTT 5.0 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 50 . mM pH 6.0 . pH pressure 1 . atm temperature 278 . 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_ _Software_label $TOPSPIN $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' 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 Gli3_1_90 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLU H H 8.299 0.020 1 2 2 2 GLU C C 176.320 0.3 1 3 2 2 GLU CA C 56.452 0.3 1 4 2 2 GLU CB C 30.763 0.3 1 5 2 2 GLU N N 124.279 0.3 1 6 3 3 ALA H H 8.098 0.020 1 7 3 3 ALA C C 178.208 0.3 1 8 3 3 ALA CA C 52.659 0.3 1 9 3 3 ALA CB C 19.280 0.3 1 10 3 3 ALA N N 125.966 0.3 1 11 4 4 GLN H H 7.967 0.020 1 12 4 4 GLN C C 176.518 0.3 1 13 4 4 GLN CA C 55.921 0.3 1 14 4 4 GLN CB C 29.678 0.3 1 15 4 4 GLN N N 119.854 0.3 1 16 5 5 SER H H 7.887 0.020 1 17 5 5 SER C C 174.880 0.3 1 18 5 5 SER CA C 58.678 0.3 1 19 5 5 SER CB C 64.129 0.3 1 20 5 5 SER N N 117.122 0.3 1 21 6 6 HIS H H 8.053 0.020 1 22 6 6 HIS C C 175.158 0.3 1 23 6 6 HIS CA C 55.916 0.3 1 24 6 6 HIS CB C 29.684 0.3 1 25 6 6 HIS N N 120.654 0.3 1 26 7 7 SER H H 7.878 0.020 1 27 7 7 SER C C 175.138 0.3 1 28 7 7 SER CA C 58.651 0.3 1 29 7 7 SER CB C 64.008 0.3 1 30 7 7 SER N N 117.059 0.3 1 31 8 8 SER H H 8.033 0.020 1 32 8 8 SER C C 175.363 0.3 1 33 8 8 SER CA C 58.651 0.3 1 34 8 8 SER CB C 64.130 0.3 1 35 8 8 SER N N 118.161 0.3 1 36 9 9 THR H H 7.760 0.020 1 37 9 9 THR C C 175.350 0.3 1 38 9 9 THR CA C 61.964 0.3 1 39 9 9 THR CB C 70.137 0.3 1 40 9 9 THR N N 115.619 0.3 1 41 10 10 THR H H 7.683 0.020 1 42 10 10 THR C C 175.225 0.3 1 43 10 10 THR CA C 61.968 0.3 1 44 10 10 THR CB C 69.602 0.3 1 45 10 10 THR N N 116.416 0.3 1 46 11 11 THR H H 7.661 0.020 1 47 11 11 THR C C 175.064 0.3 1 48 11 11 THR CA C 62.484 0.3 1 49 11 11 THR CB C 69.602 0.3 1 50 11 11 THR N N 116.597 0.3 1 51 12 12 GLU H H 7.869 0.020 1 52 12 12 GLU C C 176.923 0.3 1 53 12 12 GLU CA C 56.471 0.3 1 54 12 12 GLU CB C 30.551 0.3 1 55 12 12 GLU N N 123.902 0.3 1 56 13 13 LYS H H 7.899 0.020 1 57 13 13 LYS C C 177.043 0.3 1 58 13 13 LYS CA C 56.471 0.3 1 59 13 13 LYS CB C 32.959 0.3 1 60 13 13 LYS N N 123.429 0.3 1 61 14 14 LYS H H 7.830 0.020 1 62 14 14 LYS C C 177.065 0.3 1 63 14 14 LYS CA C 56.471 0.3 1 64 14 14 LYS CB C 32.959 0.3 1 65 14 14 LYS N N 123.265 0.3 1 66 15 15 LYS H H 7.893 0.020 1 67 15 15 LYS C C 177.102 0.3 1 68 15 15 LYS CA C 56.473 0.3 1 69 15 15 LYS CB C 33.504 0.3 1 70 15 15 LYS N N 123.832 0.3 1 71 16 16 VAL H H 7.771 0.020 1 72 16 16 VAL C C 176.739 0.3 1 73 16 16 VAL CA C 62.487 0.3 1 74 16 16 VAL CB C 32.971 0.3 1 75 16 16 VAL N N 122.904 0.3 1 76 17 17 GLU H H 8.050 0.020 1 77 17 17 GLU C C 176.625 0.3 1 78 17 17 GLU CA C 56.472 0.3 1 79 17 17 GLU CB C 30.761 0.3 1 80 17 17 GLU N N 125.311 0.3 1 81 18 18 ASN H H 8.030 0.020 1 82 18 18 ASN C C 175.660 0.3 1 83 18 18 ASN CA C 53.742 0.3 1 84 18 18 ASN CB C 38.975 0.3 1 85 18 18 ASN N N 120.155 0.3 1 86 19 19 SER H H 7.791 0.020 1 87 19 19 SER C C 174.886 0.3 1 88 19 19 SER CA C 58.653 0.3 1 89 19 19 SER CB C 64.103 0.3 1 90 19 19 SER N N 116.288 0.3 1 91 20 20 ILE H H 7.651 0.020 1 92 20 20 ILE C C 176.826 0.3 1 93 20 20 ILE CA C 61.388 0.3 1 94 20 20 ILE CB C 38.432 0.3 1 95 20 20 ILE N N 122.737 0.3 1 96 21 21 VAL H H 7.708 0.020 1 97 21 21 VAL C C 176.543 0.3 1 98 21 21 VAL CA C 62.492 0.3 1 99 21 21 VAL CB C 32.945 0.3 1 100 21 21 VAL N N 125.482 0.3 1 101 22 22 LYS H H 7.972 0.020 1 102 22 22 LYS C C 176.805 0.3 1 103 22 22 LYS CA C 56.479 0.3 1 104 22 22 LYS CB C 32.979 0.3 1 105 22 22 LYS N N 126.385 0.3 1 106 23 23 CYS H H 7.981 0.020 1 107 23 23 CYS C C 175.143 0.3 1 108 23 23 CYS CA C 58.663 0.3 1 109 23 23 CYS CB C 28.039 0.3 1 110 23 23 CYS N N 121.572 0.3 1 111 24 24 SER H H 8.089 0.020 1 112 24 24 SER C C 175.158 0.3 1 113 24 24 SER CA C 58.664 0.3 1 114 24 24 SER CB C 64.128 0.3 1 115 24 24 SER N N 119.123 0.3 1 116 25 25 THR H H 7.701 0.020 1 117 25 25 THR C C 174.894 0.3 1 118 25 25 THR CA C 61.945 0.3 1 119 25 25 THR CB C 69.602 0.3 1 120 25 25 THR N N 116.335 0.3 1 121 26 26 ARG H H 7.862 0.020 1 122 26 26 ARG C C 176.954 0.3 1 123 26 26 ARG CA C 56.471 0.3 1 124 26 26 ARG CB C 31.078 0.3 1 125 26 26 ARG N N 123.667 0.3 1 126 27 27 THR H H 7.838 0.020 1 127 27 27 THR C C 174.675 0.3 1 128 27 27 THR CA C 61.954 0.3 1 129 27 27 THR CB C 69.914 0.3 1 130 27 27 THR N N 115.519 0.3 1 131 28 28 ASP H H 7.944 0.020 1 132 28 28 ASP C C 176.695 0.3 1 133 28 28 ASP CA C 54.284 0.3 1 134 28 28 ASP CB C 41.169 0.3 1 135 28 28 ASP N N 122.843 0.3 1 136 29 29 VAL H H 7.566 0.020 1 137 29 29 VAL C C 176.833 0.3 1 138 29 29 VAL CA C 62.480 0.3 1 139 29 29 VAL CB C 32.936 0.3 1 140 29 29 VAL N N 119.682 0.3 1 141 30 30 SER H H 7.874 0.020 1 142 30 30 SER C C 175.136 0.3 1 143 30 30 SER CA C 58.673 0.3 1 144 30 30 SER CB C 64.131 0.3 1 145 30 30 SER N N 119.338 0.3 1 146 31 31 GLU H H 7.903 0.020 1 147 31 31 GLU C C 176.950 0.3 1 148 31 31 GLU CA C 57.017 0.3 1 149 31 31 GLU CB C 30.238 0.3 1 150 31 31 GLU N N 122.990 0.3 1 151 32 32 LYS H H 7.737 0.020 1 152 32 32 LYS C C 176.768 0.3 1 153 32 32 LYS CA C 56.452 0.3 1 154 32 32 LYS CB C 32.965 0.3 1 155 32 32 LYS N N 122.260 0.3 1 156 33 33 ALA H H 7.771 0.020 1 157 33 33 ALA C C 178.292 0.3 1 158 33 33 ALA CA C 52.637 0.3 1 159 33 33 ALA CB C 19.287 0.3 1 160 33 33 ALA N N 125.611 0.3 1 161 34 34 VAL H H 7.664 0.020 1 162 34 34 VAL C C 176.615 0.3 1 163 34 34 VAL CA C 62.487 0.3 1 164 34 34 VAL CB C 32.958 0.3 1 165 34 34 VAL N N 120.112 0.3 1 166 35 35 ALA H H 7.932 0.020 1 167 35 35 ALA C C 178.267 0.3 1 168 35 35 ALA CA C 52.655 0.3 1 169 35 35 ALA CB C 19.277 0.3 1 170 35 35 ALA N N 128.146 0.3 1 171 36 36 SER H H 7.859 0.020 1 172 36 36 SER C C 175.144 0.3 1 173 36 36 SER CA C 58.653 0.3 1 174 36 36 SER CB C 64.126 0.3 1 175 36 36 SER N N 115.514 0.3 1 176 37 37 SER H H 7.920 0.020 1 177 37 37 SER C C 175.278 0.3 1 178 37 37 SER CA C 58.662 0.3 1 179 37 37 SER CB C 64.126 0.3 1 180 37 37 SER N N 117.760 0.3 1 181 38 38 THR H H 7.752 0.020 1 182 38 38 THR C C 175.279 0.3 1 183 38 38 THR CA C 61.954 0.3 1 184 38 38 THR CB C 70.135 0.3 1 185 38 38 THR N N 115.557 0.3 1 186 39 39 THR H H 7.649 0.020 1 187 39 39 THR C C 174.962 0.3 1 188 39 39 THR CA C 61.940 0.3 1 189 39 39 THR CB C 70.123 0.3 1 190 39 39 THR N N 115.987 0.3 1 191 40 40 SER H H 7.869 0.020 1 192 40 40 SER C C 174.747 0.3 1 193 40 40 SER CA C 58.644 0.3 1 194 40 40 SER CB C 64.124 0.3 1 195 40 40 SER N N 118.092 0.3 1 196 41 41 ASN H H 8.028 0.020 1 197 41 41 ASN C C 175.919 0.3 1 198 41 41 ASN CA C 53.732 0.3 1 199 41 41 ASN CB C 38.976 0.3 1 200 41 41 ASN N N 120.884 0.3 1 201 42 42 GLU H H 7.920 0.020 1 202 42 42 GLU C C 176.746 0.3 1 203 42 42 GLU CA C 57.025 0.3 1 204 42 42 GLU CB C 30.224 0.3 1 205 42 42 GLU N N 120.885 0.3 1 206 43 43 ASP H H 7.771 0.020 1 207 43 43 ASP C C 176.703 0.3 1 208 43 43 ASP CA C 54.833 0.3 1 209 43 43 ASP CB C 41.163 0.3 1 210 43 43 ASP N N 120.498 0.3 1 211 44 44 GLU H H 7.708 0.020 1 212 44 44 GLU C C 176.808 0.3 1 213 44 44 GLU CA C 56.474 0.3 1 214 44 44 GLU CB C 30.758 0.3 1 215 44 44 GLU N N 120.820 0.3 1 216 45 45 SER H H 7.844 0.020 1 217 45 45 SER C C 173.284 0.3 1 218 45 45 SER CA C 56.762 0.3 1 219 45 45 SER CB C 63.308 0.3 1 220 45 45 SER N N 118.221 0.3 1 221 47 47 GLY H H 8.037 0.020 1 222 47 47 GLY C C 174.986 0.3 1 223 47 47 GLY CA C 45.532 0.3 1 224 47 47 GLY N N 108.904 0.3 1 225 48 48 GLN H H 7.536 0.020 1 226 48 48 GLN C C 176.923 0.3 1 227 48 48 GLN CA C 56.470 0.3 1 228 48 48 GLN CB C 29.679 0.3 1 229 48 48 GLN N N 119.510 0.3 1 230 49 49 THR H H 7.673 0.020 1 231 49 49 THR C C 174.726 0.3 1 232 49 49 THR CA C 62.492 0.3 1 233 49 49 THR CB C 69.606 0.3 1 234 49 49 THR N N 115.127 0.3 1 235 50 50 TYR H H 7.634 0.020 1 236 50 50 TYR C C 175.940 0.3 1 237 50 50 TYR CA C 58.127 0.3 1 238 50 50 TYR CB C 38.973 0.3 1 239 50 50 TYR N N 122.346 0.3 1 240 51 51 HIS H H 7.800 0.020 1 241 51 51 HIS C C 174.927 0.3 1 242 51 51 HIS CA C 55.921 0.3 1 243 51 51 HIS CB C 29.677 0.3 1 244 51 51 HIS N N 120.971 0.3 1 245 52 52 ARG H H 7.797 0.020 1 246 52 52 ARG C C 176.836 0.3 1 247 52 52 ARG CA C 57.011 0.3 1 248 52 52 ARG CB C 30.774 0.3 1 249 52 52 ARG N N 122.519 0.3 1 250 53 53 GLU H H 8.088 0.020 1 251 53 53 GLU C C 177.057 0.3 1 252 53 53 GLU CA C 57.016 0.3 1 253 53 53 GLU CB C 30.225 0.3 1 254 53 53 GLU N N 121.658 0.3 1 255 54 54 ARG H H 7.851 0.020 1 256 54 54 ARG C C 176.948 0.3 1 257 54 54 ARG CA C 56.476 0.3 1 258 54 54 ARG CB C 30.752 0.3 1 259 54 54 ARG N N 122.481 0.3 1 260 55 55 ARG H H 7.883 0.020 1 261 55 55 ARG C C 176.629 0.3 1 262 55 55 ARG CA C 56.476 0.3 1 263 55 55 ARG CB C 30.804 0.3 1 264 55 55 ARG N N 122.168 0.3 1 265 56 56 ASN H H 7.937 0.020 1 266 56 56 ASN C C 175.404 0.3 1 267 56 56 ASN CA C 53.220 0.3 1 268 56 56 ASN CB C 38.970 0.3 1 269 56 56 ASN N N 119.725 0.3 1 270 57 57 ALA H H 7.728 0.020 1 271 57 57 ALA C C 178.266 0.3 1 272 57 57 ALA CA C 52.643 0.3 1 273 57 57 ALA CB C 19.288 0.3 1 274 57 57 ALA N N 124.150 0.3 1 275 58 58 ILE H H 7.659 0.020 1 276 58 58 ILE C C 177.142 0.3 1 277 58 58 ILE CA C 61.395 0.3 1 278 58 58 ILE CB C 38.965 0.3 1 279 58 58 ILE N N 119.880 0.3 1 280 59 59 THR H H 7.664 0.020 1 281 59 59 THR C C 174.800 0.3 1 282 59 59 THR CA C 61.946 0.3 1 283 59 59 THR CB C 69.898 0.3 1 284 59 59 THR N N 118.264 0.3 1 285 60 60 MET H H 7.846 0.020 1 286 60 60 MET C C 176.348 0.3 1 287 60 60 MET CA C 55.365 0.3 1 288 60 60 MET CB C 32.961 0.3 1 289 60 60 MET N N 122.980 0.3 1 290 61 61 GLN H H 7.889 0.020 1 291 61 61 GLN C C 174.477 0.3 1 292 61 61 GLN CA C 53.743 0.3 1 293 61 61 GLN CB C 28.600 0.3 1 294 61 61 GLN N N 122.902 0.3 1 295 63 63 GLN H H 8.089 0.020 1 296 63 63 GLN C C 176.252 0.3 1 297 63 63 GLN CA C 55.938 0.3 1 298 63 63 GLN CB C 29.675 0.3 1 299 63 63 GLN N N 120.326 0.3 1 300 64 64 ASN H H 7.987 0.020 1 301 64 64 ASN C C 175.792 0.3 1 302 64 64 ASN CA C 53.196 0.3 1 303 64 64 ASN CB C 38.971 0.3 1 304 64 64 ASN N N 119.725 0.3 1 305 65 65 VAL H H 7.639 0.020 1 306 65 65 VAL C C 176.851 0.3 1 307 65 65 VAL CA C 62.495 0.3 1 308 65 65 VAL CB C 32.642 0.3 1 309 65 65 VAL N N 120.455 0.3 1 310 66 66 GLN H H 7.981 0.020 1 311 66 66 GLN C C 176.990 0.3 1 312 66 66 GLN CA C 56.471 0.3 1 313 66 66 GLN CB C 29.666 0.3 1 314 66 66 GLN N N 123.807 0.3 1 315 67 67 GLY H H 7.886 0.020 1 316 67 67 GLY C C 174.532 0.3 1 317 67 67 GLY CA C 45.538 0.3 1 318 67 67 GLY N N 109.941 0.3 1 319 68 68 LEU H H 7.571 0.020 1 320 68 68 LEU C C 178.137 0.3 1 321 68 68 LEU CA C 55.349 0.3 1 322 68 68 LEU CB C 42.798 0.3 1 323 68 68 LEU N N 121.225 0.3 1 324 69 69 SER H H 7.820 0.020 1 325 69 69 SER C C 174.801 0.3 1 326 69 69 SER CA C 58.666 0.3 1 327 69 69 SER CB C 64.102 0.3 1 328 69 69 SER N N 116.760 0.3 1 329 70 70 LYS H H 7.867 0.020 1 330 70 70 LYS C C 176.962 0.3 1 331 70 70 LYS CA C 56.472 0.3 1 332 70 70 LYS CB C 33.504 0.3 1 333 70 70 LYS N N 123.622 0.3 1 334 71 71 VAL H H 7.726 0.020 1 335 71 71 VAL C C 176.712 0.3 1 336 71 71 VAL CA C 62.492 0.3 1 337 71 71 VAL CB C 32.965 0.3 1 338 71 71 VAL N N 121.927 0.3 1 339 72 72 SER H H 7.897 0.020 1 340 72 72 SER C C 174.750 0.3 1 341 72 72 SER CA C 58.650 0.3 1 342 72 72 SER CB C 64.131 0.3 1 343 72 72 SER N N 119.571 0.3 1 344 73 73 GLU H H 7.937 0.020 1 345 73 73 GLU C C 176.675 0.3 1 346 73 73 GLU CA C 56.454 0.3 1 347 73 73 GLU CB C 30.753 0.3 1 348 73 73 GLU N N 122.947 0.3 1 349 74 74 GLU H H 7.923 0.020 1 350 74 74 GLU C C 175.013 0.3 1 351 74 74 GLU CA C 54.622 0.3 1 352 74 74 GLU CB C 29.681 0.3 1 353 74 74 GLU N N 123.549 0.3 1 354 76 76 SER H H 8.060 0.020 1 355 76 76 SER C C 175.573 0.3 1 356 76 76 SER CA C 58.647 0.3 1 357 76 76 SER CB C 64.132 0.3 1 358 76 76 SER N N 116.416 0.3 1 359 77 77 THR H H 7.742 0.020 1 360 77 77 THR C C 175.249 0.3 1 361 77 77 THR CA C 61.818 0.3 1 362 77 77 THR CB C 69.972 0.3 1 363 77 77 THR N N 115.541 0.3 1 364 78 78 SER H H 7.874 0.020 1 365 78 78 SER C C 175.310 0.3 1 366 78 78 SER CA C 58.652 0.3 1 367 78 78 SER CB C 64.133 0.3 1 368 78 78 SER N N 117.883 0.3 1 369 79 79 SER H H 7.937 0.020 1 370 79 79 SER C C 175.185 0.3 1 371 79 79 SER CA C 59.196 0.3 1 372 79 79 SER CB C 63.574 0.3 1 373 79 79 SER N N 117.877 0.3 1 374 80 80 ASP H H 7.796 0.020 1 375 80 80 ASP C C 177.302 0.3 1 376 80 80 ASP CA C 54.832 0.3 1 377 80 80 ASP CB C 41.161 0.3 1 378 80 80 ASP N N 122.217 0.3 1 379 81 81 GLU H H 7.844 0.020 1 380 81 81 GLU C C 177.770 0.3 1 381 81 81 GLU CA C 57.566 0.3 1 382 81 81 GLU CB C 29.808 0.3 1 383 81 81 GLU N N 121.787 0.3 1 384 82 82 ARG H H 7.722 0.020 1 385 82 82 ARG C C 177.403 0.3 1 386 82 82 ARG CA C 57.016 0.3 1 387 82 82 ARG CB C 30.761 0.3 1 388 82 82 ARG N N 120.842 0.3 1 389 83 83 ALA H H 7.629 0.020 1 390 83 83 ALA C C 178.785 0.3 1 391 83 83 ALA CA C 53.204 0.3 1 392 83 83 ALA CB C 19.286 0.3 1 393 83 83 ALA N N 123.506 0.3 1 394 84 84 SER H H 7.595 0.020 1 395 84 84 SER C C 175.193 0.3 1 396 84 84 SER CA C 58.688 0.3 1 397 84 84 SER CB C 63.584 0.3 1 398 84 84 SER N N 114.096 0.3 1 399 85 85 LEU H H 7.551 0.020 1 400 85 85 LEU C C 177.840 0.3 1 401 85 85 LEU CA C 55.382 0.3 1 402 85 85 LEU CB C 42.251 0.3 1 403 85 85 LEU N N 123.506 0.3 1 404 86 86 ILE H H 7.404 0.020 1 405 86 86 ILE C C 176.561 0.3 1 406 86 86 ILE CA C 61.397 0.3 1 407 86 86 ILE CB C 38.426 0.3 1 408 86 86 ILE N N 121.401 0.3 1 409 87 87 LYS H H 7.844 0.020 1 410 87 87 LYS C C 176.559 0.3 1 411 87 87 LYS CA C 56.475 0.3 1 412 87 87 LYS CB C 33.231 0.3 1 413 87 87 LYS N N 126.685 0.3 1 414 88 88 LYS H H 7.884 0.020 1 415 88 88 LYS C C 176.764 0.3 1 416 88 88 LYS CA C 56.471 0.3 1 417 88 88 LYS CB C 33.494 0.3 1 418 88 88 LYS N N 124.065 0.3 1 419 89 89 GLU H H 7.962 0.020 1 420 89 89 GLU C C 175.965 0.3 1 421 89 89 GLU CA C 56.812 0.3 1 422 89 89 GLU CB C 30.231 0.3 1 423 89 89 GLU N N 123.377 0.3 1 424 90 90 ILE H H 7.272 0.020 1 425 90 90 ILE C C 181.635 0.3 1 426 90 90 ILE CA C 63.039 0.3 1 427 90 90 ILE CB C 39.521 0.3 1 428 90 90 ILE N N 125.826 0.3 1 stop_ save_