data_28100 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignment for human EDC3 residues 104-197 ; _BMRB_accession_number 28100 _BMRB_flat_file_name bmr28100.str _Entry_type original _Submission_date 2020-03-12 _Accession_date 2020-03-12 _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 Peti Wolfgang . . 2 Page Rebecca . . 3 Li Yang . . 4 Clarkson Michael . . 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" 237 "15N chemical shifts" 86 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-11-12 original BMRB . stop_ _Original_release_date 2020-03-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; EDC3 Phosphorylation Regulates Tumor Growth and Invasion Through Controlling Modifications in P-body Formation and Dynamics. ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bearss Jeremiah . . 2 Peti Wolfgang . . 3 Kraft Andrew . . 4 Li Yang . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'EDC3 residues 104-197' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'EDC3 residues 104-197' $EDC3_residues_104-197 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_EDC3_residues_104-197 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EDC3_residues_104-197 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; GHMVKKPASSSSAPQNIPKR TDVKSQDVAVSPQQQQCSKS YVDRHMESLSQSKSFRRRHN SWSSSSRHPNQATPKKSGLK NGQMKNKDDECFGDDIE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 VAL 5 LYS 6 LYS 7 PRO 8 ALA 9 SER 10 SER 11 SER 12 SER 13 ALA 14 PRO 15 GLN 16 ASN 17 ILE 18 PRO 19 LYS 20 ARG 21 THR 22 ASP 23 VAL 24 LYS 25 SER 26 GLN 27 ASP 28 VAL 29 ALA 30 VAL 31 SER 32 PRO 33 GLN 34 GLN 35 GLN 36 GLN 37 CYS 38 SER 39 LYS 40 SER 41 TYR 42 VAL 43 ASP 44 ARG 45 HIS 46 MET 47 GLU 48 SER 49 LEU 50 SER 51 GLN 52 SER 53 LYS 54 SER 55 PHE 56 ARG 57 ARG 58 ARG 59 HIS 60 ASN 61 SER 62 TRP 63 SER 64 SER 65 SER 66 SER 67 ARG 68 HIS 69 PRO 70 ASN 71 GLN 72 ALA 73 THR 74 PRO 75 LYS 76 LYS 77 SER 78 GLY 79 LEU 80 LYS 81 ASN 82 GLY 83 GLN 84 MET 85 LYS 86 ASN 87 LYS 88 ASP 89 ASP 90 GLU 91 CYS 92 PHE 93 GLY 94 ASP 95 ASP 96 ILE 97 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP Q96F86 'Enhancer of mRNA-decapping protein 3' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $EDC3_residues_104-197 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 $EDC3_residues_104-197 'recombinant technology' . Escherichia coli . RP1B 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 $EDC3_residues_104-197 0.7 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' TCEP 0.5 mM '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' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance NEO' _Field_strength 600 _Details 'equipped with TCI HCN z-gradient cryoprobe' 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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _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' 150 . mM pH 6.2 . 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 HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D H(CCO)NH' '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 'EDC3 residues 104-197' _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 3 3 MET H H 8.433 0.003 1 2 3 3 MET C C 175.782 0.3 1 3 3 3 MET CA C 55.68 0.3 1 4 3 3 MET CB C 33.062 0.3 1 5 3 3 MET N N 122.907 0.2 1 6 4 4 VAL H H 8.204 0.003 1 7 4 4 VAL C C 175.834 0.3 1 8 4 4 VAL CA C 62.294 0.3 1 9 4 4 VAL CB C 32.842 0.3 1 10 4 4 VAL N N 123.095 0.2 1 11 5 5 LYS H H 8.329 0.003 1 12 5 5 LYS C C 176.058 0.3 1 13 5 5 LYS CA C 56.024 0.3 1 14 5 5 LYS CB C 33.117 0.3 1 15 5 5 LYS N N 126.115 0.2 1 16 6 6 LYS H H 8.322 0.003 1 17 6 6 LYS C C 174.482 0.3 1 18 6 6 LYS CA C 54.193 0.3 1 19 6 6 LYS CB C 32.676 0.3 1 20 6 6 LYS N N 124.881 0.2 1 21 8 8 ALA H H 8.413 0.003 1 22 8 8 ALA C C 178.057 0.3 1 23 8 8 ALA CA C 52.66 0.3 1 24 8 8 ALA CB C 19.278 0.3 1 25 8 8 ALA N N 124.782 0.2 1 26 9 9 SER H H 8.256 0.003 1 27 9 9 SER C C 174.834 0.3 1 28 9 9 SER CA C 58.197 0.3 1 29 9 9 SER CB C 63.883 0.3 1 30 9 9 SER N N 114.912 0.2 1 31 10 10 SER H H 8.316 0.003 1 32 10 10 SER CA C 58.449 0.3 1 33 10 10 SER CB C 63.827 0.3 1 34 10 10 SER N N 117.791 0.2 1 35 11 11 SER H H 8.291 0.003 1 36 11 11 SER C C 174.603 0.3 1 37 11 11 SER CA C 58.449 0.3 1 38 11 11 SER CB C 63.827 0.3 1 39 11 11 SER N N 117.653 0.2 1 40 12 12 SER H H 8.204 0.003 1 41 12 12 SER C C 173.789 0.3 1 42 12 12 SER CA C 58.358 0.3 1 43 12 12 SER CB C 63.772 0.3 1 44 12 12 SER N N 117.706 0.2 1 45 13 13 ALA H H 8.135 0.003 1 46 13 13 ALA C C 175.545 0.3 1 47 13 13 ALA CA C 50.692 0.3 1 48 13 13 ALA CB C 18.065 0.3 1 49 13 13 ALA N N 126.984 0.2 1 50 15 15 GLN H H 8.442 0.003 1 51 15 15 GLN C C 175.738 0.3 1 52 15 15 GLN CA C 55.795 0.3 1 53 15 15 GLN CB C 29.644 0.3 1 54 15 15 GLN N N 120.02 0.2 1 55 16 16 ASN H H 8.371 0.003 1 56 16 16 ASN C C 174.597 0.3 1 57 16 16 ASN CA C 53.255 0.3 1 58 16 16 ASN CB C 38.906 0.3 1 59 16 16 ASN N N 119.824 0.2 1 60 17 17 ILE H H 7.992 0.003 1 61 17 17 ILE C C 174.533 0.3 1 62 17 17 ILE CA C 58.655 0.3 1 63 17 17 ILE CB C 38.686 0.3 1 64 17 17 ILE N N 122.938 0.2 1 65 19 19 LYS H H 8.516 0.003 1 66 19 19 LYS C C 176.885 0.3 1 67 19 19 LYS CA C 56.641 0.3 1 68 19 19 LYS CB C 33.007 0.3 1 69 19 19 LYS N N 121.935 0.2 1 70 20 20 ARG H H 8.386 0.003 1 71 20 20 ARG C C 176.66 0.3 1 72 20 20 ARG CA C 56.207 0.3 1 73 20 20 ARG CB C 30.967 0.3 1 74 20 20 ARG N N 123.009 0.2 1 75 21 21 THR H H 8.202 0.003 1 76 21 21 THR C C 174.187 0.3 1 77 21 21 THR CA C 61.744 0.3 1 78 21 21 THR CB C 69.672 0.3 1 79 21 21 THR N N 114.857 0.2 1 80 22 22 ASP H H 8.365 0.003 1 81 22 22 ASP C C 176.052 0.3 1 82 22 22 ASP CA C 54.147 0.3 1 83 22 22 ASP CB C 41.112 0.3 1 84 22 22 ASP N N 122.824 0.2 1 85 23 23 VAL H H 7.924 0.003 1 86 23 23 VAL CA C 62.408 0.3 1 87 23 23 VAL CB C 32.676 0.3 1 88 23 23 VAL N N 120.198 0.2 1 89 24 24 LYS H H 8.364 0.003 1 90 24 24 LYS C C 176.821 0.3 1 91 24 24 LYS CA C 56.252 0.3 1 92 24 24 LYS CB C 32.786 0.3 1 93 24 24 LYS N N 125.034 0.2 1 94 25 25 SER H H 8.234 0.003 1 95 25 25 SER C C 174.693 0.3 1 96 25 25 SER CA C 58.495 0.3 1 97 25 25 SER CB C 63.772 0.3 1 98 25 25 SER N N 117.213 0.2 1 99 26 26 GLN H H 8.36 0.003 1 100 26 26 GLN C C 175.622 0.3 1 101 26 26 GLN CA C 56.046 0.3 1 102 26 26 GLN CB C 29.423 0.3 1 103 26 26 GLN N N 121.857 0.2 1 104 27 27 ASP H H 8.259 0.003 1 105 27 27 ASP C C 176.167 0.3 1 106 27 27 ASP CA C 54.454 0.3 1 107 27 27 ASP CB C 41.167 0.3 1 108 27 27 ASP N N 121.754 0.2 1 109 28 28 VAL H H 7.922 0.003 1 110 28 28 VAL CA C 62.118 0.3 1 111 28 28 VAL CB C 32.731 0.3 1 112 28 28 VAL N N 119.879 0.2 1 113 29 29 ALA H H 8.259 0.003 1 114 29 29 ALA C C 177.564 0.3 1 115 29 29 ALA CA C 52.385 0.3 1 116 29 29 ALA CB C 19.278 0.3 1 117 29 29 ALA N N 127.594 0.2 1 118 30 30 VAL H H 7.99 0.003 1 119 30 30 VAL C C 176.058 0.3 1 120 30 30 VAL CA C 61.927 0.3 1 121 30 30 VAL CB C 32.952 0.3 1 122 30 30 VAL N N 119.348 0.2 1 123 31 31 SER H H 8.329 0.003 1 124 31 31 SER C C 173.091 0.3 1 125 31 31 SER CA C 56.282 0.3 1 126 31 31 SER CB C 63.386 0.3 1 127 31 31 SER N N 121.042 0.2 1 128 33 33 GLN H H 8.306 0.003 1 129 33 33 GLN C C 176.481 0.3 1 130 33 33 GLN CA C 56.458 0.3 1 131 33 33 GLN CB C 29.148 0.3 1 132 33 33 GLN N N 119.402 0.2 1 133 34 34 GLN H H 8.206 0.003 1 134 34 34 GLN C C 176.333 0.3 1 135 34 34 GLN CA C 56.246 0.3 1 136 34 34 GLN CB C 29.313 0.3 1 137 34 34 GLN N N 121.002 0.2 1 138 35 35 GLN H H 8.292 0.003 1 139 35 35 GLN C C 176.084 0.3 1 140 35 35 GLN CA C 56.046 0.3 1 141 35 35 GLN CB C 29.423 0.3 1 142 35 35 GLN N N 121.228 0.2 1 143 36 36 GLN H H 8.354 0.003 1 144 36 36 GLN C C 176.071 0.3 1 145 36 36 GLN CA C 56.109 0.3 1 146 36 36 GLN CB C 29.313 0.3 1 147 36 36 GLN N N 121.165 0.2 1 148 37 37 CYS H H 8.294 0.003 1 149 37 37 CYS CA C 58.609 0.3 1 150 37 37 CYS CB C 28.155 0.3 1 151 37 37 CYS N N 119.997 0.2 1 152 38 38 SER H H 8.324 0.003 1 153 38 38 SER C C 174.751 0.3 1 154 38 38 SER CA C 58.518 0.3 1 155 38 38 SER CB C 63.772 0.3 1 156 38 38 SER N N 118.386 0.2 1 157 39 39 LYS H H 8.276 0.003 1 158 39 39 LYS C C 176.609 0.3 1 159 39 39 LYS CA C 56.733 0.3 1 160 39 39 LYS CB C 32.952 0.3 1 161 39 39 LYS N N 123.288 0.2 1 162 40 40 SER H H 8.196 0.003 1 163 40 40 SER C C 174.232 0.3 1 164 40 40 SER CA C 58.564 0.3 1 165 40 40 SER CB C 63.717 0.3 1 166 40 40 SER N N 116.25 0.2 1 167 41 41 TYR H H 8.092 0.003 1 168 41 41 TYR C C 175.853 0.3 1 169 41 41 TYR CA C 58.586 0.3 1 170 41 41 TYR CB C 38.851 0.3 1 171 41 41 TYR N N 122.363 0.2 1 172 42 42 VAL H H 7.831 0.003 1 173 42 42 VAL C C 175.597 0.3 1 174 42 42 VAL CA C 62.683 0.3 1 175 42 42 VAL CB C 32.952 0.3 1 176 42 42 VAL N N 121.916 0.2 1 177 43 43 ASP H H 8.176 0.003 1 178 43 43 ASP C C 176.635 0.3 1 179 43 43 ASP CA C 54.422 0.3 1 180 43 43 ASP CB C 41.167 0.3 1 181 43 43 ASP N N 123.461 0.2 1 182 44 44 ARG H H 8.152 0.003 1 183 44 44 ARG CA C 56.413 0.3 1 184 44 44 ARG CB C 30.471 0.3 1 185 44 44 ARG N N 121.719 0.2 1 186 45 45 HIS H H 8.408 0.003 1 187 45 45 HIS C C 175.385 0.3 1 188 45 45 HIS CA C 56.618 0.3 1 189 45 45 HIS CB C 28.872 0.3 1 190 45 45 HIS N N 119.289 0.2 1 191 47 47 GLU H H 8.376 0.003 1 192 47 47 GLU C C 177.013 0.3 1 193 47 47 GLU CA C 57.459 0.3 1 194 47 47 GLU CB C 29.699 0.3 1 195 47 47 GLU N N 121.755 0.2 1 196 48 48 SER H H 8.177 0.003 1 197 48 48 SER CA C 58.747 0.3 1 198 48 48 SER CB C 63.607 0.3 1 199 48 48 SER N N 116.116 0.2 1 200 49 49 LEU H H 8.095 0.003 1 201 49 49 LEU C C 178.077 0.3 1 202 49 49 LEU CA C 55.84 0.3 1 203 49 49 LEU CB C 42.049 0.3 1 204 49 49 LEU N N 123.752 0.2 1 205 50 50 SER H H 8.09 0.003 1 206 50 50 SER C C 175.116 0.3 1 207 50 50 SER CA C 58.975 0.3 1 208 50 50 SER CB C 63.552 0.3 1 209 50 50 SER N N 115.408 0.2 1 210 51 51 GLN H H 8.161 0.003 1 211 51 51 GLN CA C 56.344 0.3 1 212 51 51 GLN CB C 29.203 0.3 1 213 51 51 GLN N N 121.57 0.2 1 214 52 52 SER H H 8.15 0.003 1 215 52 52 SER C C 175.218 0.3 1 216 52 52 SER CA C 58.838 0.3 1 217 52 52 SER CB C 63.662 0.3 1 218 52 52 SER N N 116.249 0.2 1 219 53 53 LYS H H 8.278 0.003 1 220 53 53 LYS CA C 56.733 0.3 1 221 53 53 LYS CB C 32.952 0.3 1 222 53 53 LYS N N 123.005 0.2 1 223 54 54 SER H H 8.068 0.003 1 224 54 54 SER C C 174.565 0.3 1 225 54 54 SER CA C 58.815 0.3 1 226 54 54 SER CB C 63.552 0.3 1 227 54 54 SER N N 115.49 0.2 1 228 55 55 PHE H H 8.035 0.003 1 229 55 55 PHE CA C 58.381 0.3 1 230 55 55 PHE CB C 39.513 0.3 1 231 55 55 PHE N N 122.25 0.2 1 232 56 56 ARG H H 8.046 0.003 1 233 56 56 ARG CA C 56.275 0.3 1 234 56 56 ARG CB C 30.691 0.3 1 235 56 56 ARG N N 122.085 0.2 1 236 57 57 ARG H H 8.118 0.003 1 237 57 57 ARG C C 176.436 0.3 1 238 57 57 ARG CA C 56.321 0.3 1 239 57 57 ARG CB C 30.636 0.3 1 240 57 57 ARG N N 121.703 0.2 1 241 58 58 ARG H H 8.196 0.003 1 242 58 58 ARG CA C 56.275 0.3 1 243 58 58 ARG CB C 30.746 0.3 1 244 58 58 ARG N N 121.695 0.2 1 245 61 61 SER H H 8.225 0.003 1 246 61 61 SER CA C 58.632 0.3 1 247 61 61 SER CB C 63.662 0.3 1 248 61 61 SER N N 116.1 0.2 1 249 62 62 TRP H H 8.042 0.003 1 250 62 62 TRP C C 176.41 0.3 1 251 62 62 TRP CA C 57.694 0.3 1 252 62 62 TRP CB C 29.589 0.3 1 253 62 62 TRP N N 122.572 0.2 1 254 63 63 SER H H 7.962 0.003 1 255 63 63 SER C C 174.629 0.3 1 256 63 63 SER CA C 58.22 0.3 1 257 63 63 SER CB C 63.883 0.3 1 258 63 63 SER N N 116.969 0.2 1 259 64 64 SER H H 8.197 0.003 1 260 64 64 SER C C 175.02 0.3 1 261 64 64 SER CA C 58.479 0.3 1 262 64 64 SER CB C 63.827 0.3 1 263 64 64 SER N N 117.638 0.2 1 264 65 65 SER H H 8.188 0.003 1 265 65 65 SER CA C 58.495 0.3 1 266 65 65 SER CB C 63.772 0.3 1 267 65 65 SER N N 117.24 0.2 1 268 66 66 SER H H 8.107 0.003 1 269 66 66 SER C C 174.373 0.3 1 270 66 66 SER CA C 58.586 0.3 1 271 66 66 SER CB C 63.717 0.3 1 272 66 66 SER N N 117.437 0.2 1 273 67 67 ARG H H 8.088 0.003 1 274 67 67 ARG C C 175.802 0.3 1 275 67 67 ARG CA C 56.138 0.3 1 276 67 67 ARG CB C 30.691 0.3 1 277 67 67 ARG N N 122.019 0.2 1 278 68 68 HIS H H 8.233 0.003 1 279 68 68 HIS C C 173.059 0.3 1 280 68 68 HIS CA C 53.667 0.3 1 281 68 68 HIS CB C 29.478 0.3 1 282 68 68 HIS N N 120.331 0.2 1 283 70 70 ASN H H 8.685 0.003 1 284 70 70 ASN C C 175.289 0.3 1 285 70 70 ASN CA C 53.627 0.3 1 286 70 70 ASN CB C 38.686 0.3 1 287 70 70 ASN N N 118.679 0.2 1 288 71 71 GLN H H 8.186 0.003 1 289 71 71 GLN C C 175.494 0.3 1 290 71 71 GLN CA C 55.863 0.3 1 291 71 71 GLN CB C 29.533 0.3 1 292 71 71 GLN N N 120.531 0.2 1 293 72 72 ALA H H 8.266 0.003 1 294 72 72 ALA C C 177.583 0.3 1 295 72 72 ALA CA C 52.414 0.3 1 296 72 72 ALA CB C 19.361 0.3 1 297 72 72 ALA N N 125.352 0.2 1 298 73 73 THR H H 8.081 0.003 1 299 73 73 THR C C 172.956 0.3 1 300 73 73 THR CA C 59.822 0.3 1 301 73 73 THR CB C 69.727 0.3 1 302 73 73 THR N N 116.131 0.2 1 303 75 75 LYS H H 8.317 0.003 1 304 75 75 LYS C C 176.853 0.3 1 305 75 75 LYS CA C 56.321 0.3 1 306 75 75 LYS CB C 33.062 0.3 1 307 75 75 LYS N N 121.967 0.2 1 308 76 76 LYS H H 8.308 0.003 1 309 76 76 LYS C C 176.686 0.3 1 310 76 76 LYS CA C 56.435 0.3 1 311 76 76 LYS CB C 33.117 0.3 1 312 76 76 LYS N N 122.765 0.2 1 313 77 77 SER H H 8.284 0.003 1 314 77 77 SER C C 175.097 0.3 1 315 77 77 SER CA C 58.495 0.3 1 316 77 77 SER CB C 63.938 0.3 1 317 77 77 SER N N 117.095 0.2 1 318 78 78 GLY H H 8.373 0.003 1 319 78 78 GLY C C 174.135 0.3 1 320 78 78 GLY CA C 45.36 0.3 1 321 78 78 GLY N N 110.758 0.2 1 322 79 79 LEU H H 7.991 0.003 1 323 79 79 LEU C C 177.711 0.3 1 324 79 79 LEU CA C 55.268 0.3 1 325 79 79 LEU CB C 42.545 0.3 1 326 79 79 LEU N N 121.357 0.2 1 327 80 80 LYS H H 8.34 0.003 1 328 80 80 LYS C C 176.596 0.3 1 329 80 80 LYS CA C 56.207 0.3 1 330 80 80 LYS CB C 32.952 0.3 1 331 80 80 LYS N N 121.927 0.2 1 332 81 81 ASN H H 8.356 0.003 1 333 81 81 ASN C C 175.891 0.3 1 334 81 81 ASN CA C 53.392 0.3 1 335 81 81 ASN CB C 38.906 0.3 1 336 81 81 ASN N N 119.531 0.2 1 337 82 82 GLY H H 8.35 0.003 1 338 82 82 GLY C C 174.225 0.3 1 339 82 82 GLY CA C 45.657 0.3 1 340 82 82 GLY N N 109.091 0.2 1 341 83 83 GLN H H 8.094 0.003 1 342 83 83 GLN C C 176.026 0.3 1 343 83 83 GLN CA C 55.886 0.3 1 344 83 83 GLN CB C 29.533 0.3 1 345 83 83 GLN N N 119.375 0.2 1 346 84 84 MET H H 8.461 0.003 1 347 84 84 MET CA C 56.138 0.3 1 348 84 84 MET CB C 32.952 0.3 1 349 84 84 MET N N 121.805 0.2 1 350 85 85 LYS H H 8.264 0.003 1 351 85 85 LYS C C 176.154 0.3 1 352 85 85 LYS CA C 56.219 0.3 1 353 85 85 LYS CB C 33.117 0.3 1 354 85 85 LYS N N 122.478 0.2 1 355 86 86 ASN H H 8.458 0.003 1 356 86 86 ASN C C 175.404 0.3 1 357 86 86 ASN CA C 53.209 0.3 1 358 86 86 ASN CB C 39.182 0.3 1 359 86 86 ASN N N 120.221 0.2 1 360 87 87 LYS H H 8.298 0.003 1 361 87 87 LYS CA C 56.88 0.3 1 362 87 87 LYS CB C 32.897 0.3 1 363 87 87 LYS N N 121.798 0.2 1 364 88 88 ASP H H 8.275 0.003 1 365 88 88 ASP C C 176.122 0.3 1 366 88 88 ASP CA C 54.994 0.3 1 367 88 88 ASP CB C 41.057 0.3 1 368 88 88 ASP N N 120.498 0.2 1 369 89 89 ASP H H 8.038 0.003 1 370 89 89 ASP C C 176.455 0.3 1 371 89 89 ASP CA C 54.65 0.3 1 372 89 89 ASP CB C 41.222 0.3 1 373 89 89 ASP N N 119.662 0.2 1 374 90 90 GLU H H 8.151 0.003 1 375 90 90 GLU C C 176.327 0.3 1 376 90 90 GLU CA C 56.756 0.3 1 377 90 90 GLU CB C 30.14 0.3 1 378 90 90 GLU N N 120.498 0.2 1 379 91 91 CYS H H 8.148 0.003 1 380 91 91 CYS C C 174.283 0.3 1 381 91 91 CYS CA C 58.518 0.3 1 382 91 91 CYS CB C 28.045 0.3 1 383 91 91 CYS N N 119.446 0.2 1 384 92 92 PHE H H 8.235 0.003 1 385 92 92 PHE CA C 58.093 0.3 1 386 92 92 PHE CB C 39.733 0.3 1 387 92 92 PHE N N 122.439 0.2 1 388 93 93 GLY H H 8.234 0.003 1 389 93 93 GLY C C 173.757 0.3 1 390 93 93 GLY CA C 45.314 0.3 1 391 93 93 GLY N N 110.231 0.2 1 392 94 94 ASP H H 8.124 0.003 1 393 94 94 ASP C C 175.949 0.3 1 394 94 94 ASP CA C 54.467 0.3 1 395 94 94 ASP CB C 41.332 0.3 1 396 94 94 ASP N N 120.217 0.2 1 397 95 95 ASP H H 8.313 0.003 1 398 95 95 ASP CA C 54.284 0.3 1 399 95 95 ASP CB C 41.057 0.3 1 400 95 95 ASP N N 119.91 0.2 1 401 96 96 ILE H H 7.906 0.003 1 402 96 96 ILE CA C 61.287 0.3 1 403 96 96 ILE CB C 39.072 0.3 1 404 96 96 ILE N N 120.13 0.2 1 405 97 97 GLU H H 7.909 0.003 1 406 97 97 GLU C C 174.046 0.3 1 407 97 97 GLU CA C 58.129 0.3 1 408 97 97 GLU CB C 31.188 0.3 1 409 97 97 GLU N N 129.422 0.2 1 stop_ save_