data_27618 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Dss1 ; _BMRB_accession_number 27618 _BMRB_flat_file_name bmr27618.str _Entry_type original _Submission_date 2018-09-19 _Accession_date 2018-09-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for Dss1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hendus-Altenburger Ruth . . 2 Kragelund Birthe B. . 3 Rosner Heike I. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 66 "13C chemical shifts" 204 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-08 original BMRB . stop_ _Original_release_date 2018-09-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Expanded Interactome of the Intrinsically Disordered Protein Dss1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30355493 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schenstrom Signe M . 2 Rebula Caio A. . 3 Tatham Michael H. . 4 Hendus-Altenburger Ruth . . 5 Jourdain Isabelle . . 6 Hay Ronald T. . 7 Kragelund Birthe B. . 8 Hartmann-Petersen Rasmus . . stop_ _Journal_abbreviation 'Cell Rep.' _Journal_volume 25 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 862 _Page_last 870 _Year 2018 _Details . loop_ _Keyword 'PCI domain' 'intrinsically disordered proteins' proteasome 'protein degradation' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_2 _Saveframe_category citation _Citation_full . _Citation_title ; Dss1 is a 26S proteasome ubiquitin receptor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25306921 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Paraskevopoulos Konstantinos . . 2 Kriegenburg Franziska . . 3 Tatham Michael H. . 4 Rosner Heike I. . 5 Medina Bethan . . 6 Larsen Ida B. . 7 Brandstrup Rikke . . 8 Hardwick Kevin G. . 9 Hay Ronald T. . 10 Kragelund Birthe B. . 11 Hartmann-Petersen Rasmus . . 12 Gordon Colin . . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_name_full . _Journal_volume 56 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 453 _Page_last 461 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'intrinsically disordered protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Dss1 $Dss1 stop_ _System_molecular_weight 8522 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'intrinsically disordered protein' save_ ######################## # Monomeric polymers # ######################## save_Dss1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Dss1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function '26S proteasome subunit' 'interacts with BRCA2 DNA repair protein' 'interacts with Thp1 subunit of the TREX-2 complex' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; GPLGSMSRAALPSLENLEDD DEFEDFATENWPMKDTELDT GDDTLWENNWDDEDIGDDDF SVQLQAELKKKGVAAN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 LEU 4 -1 GLY 5 0 SER 6 1 MET 7 2 SER 8 3 ARG 9 4 ALA 10 5 ALA 11 6 LEU 12 7 PRO 13 8 SER 14 9 LEU 15 10 GLU 16 11 ASN 17 12 LEU 18 13 GLU 19 14 ASP 20 15 ASP 21 16 ASP 22 17 GLU 23 18 PHE 24 19 GLU 25 20 ASP 26 21 PHE 27 22 ALA 28 23 THR 29 24 GLU 30 25 ASN 31 26 TRP 32 27 PRO 33 28 MET 34 29 LYS 35 30 ASP 36 31 THR 37 32 GLU 38 33 LEU 39 34 ASP 40 35 THR 41 36 GLY 42 37 ASP 43 38 ASP 44 39 THR 45 40 LEU 46 41 TRP 47 42 GLU 48 43 ASN 49 44 ASN 50 45 TRP 51 46 ASP 52 47 ASP 53 48 GLU 54 49 ASP 55 50 ILE 56 51 GLY 57 52 ASP 58 53 ASP 59 54 ASP 60 55 PHE 61 56 SER 62 57 VAL 63 58 GLN 64 59 LEU 65 60 GLN 66 61 ALA 67 62 GLU 68 63 LEU 69 64 LYS 70 65 LYS 71 66 LYS 72 67 GLY 73 68 VAL 74 69 ALA 75 70 ALA 76 71 ASN 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 NCBI NP_594968.1 Dss1 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Dss1 'fission yeast' 4896 Eukaryota fungi Schizosaccharomyces pombe 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 $Dss1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pGEX6P stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '340 micromolar' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Dss1 340 uM '[U-13C; U-15N]' Tris/HCl 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 10 % '[U-99% 2H]' DSS 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_v800 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_b600 _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_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_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '340 micromolar' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 71 . mM pH 7.5 . pH pressure 1 . atm temperature 273 . 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 $NMRPipe 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 Dss1 _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 8 ARG C C 176.088 0.015 1 2 3 8 ARG CA C 56.063 0.007 1 3 3 8 ARG CB C 30.836 0.000 1 4 4 9 ALA H H 8.333 0.009 1 5 4 9 ALA C C 177.395 0.002 1 6 4 9 ALA CA C 52.522 0.052 1 7 4 9 ALA CB C 19.324 0.036 1 8 4 9 ALA N N 125.089 0.021 1 9 5 10 ALA H H 8.305 0.009 1 10 5 10 ALA C C 177.544 0.028 1 11 5 10 ALA CA C 52.234 0.032 1 12 5 10 ALA CB C 19.295 0.015 1 13 5 10 ALA N N 123.195 0.031 1 14 6 11 LEU H H 8.235 0.008 1 15 6 11 LEU C C 175.438 0.000 1 16 6 11 LEU CA C 52.932 0.000 1 17 6 11 LEU CB C 41.710 0.000 1 18 6 11 LEU N N 122.784 0.021 1 19 7 12 PRO C C 176.948 0.006 1 20 7 12 PRO CA C 63.238 0.000 1 21 7 12 PRO CB C 32.161 0.000 1 22 8 13 SER H H 8.455 0.009 1 23 8 13 SER C C 174.905 0.006 1 24 8 13 SER CA C 58.100 0.062 1 25 8 13 SER CB C 63.851 0.061 1 26 8 13 SER N N 115.956 0.026 1 27 9 14 LEU H H 8.484 0.008 1 28 9 14 LEU C C 177.559 0.023 1 29 9 14 LEU CA C 55.405 0.061 1 30 9 14 LEU CB C 42.216 0.021 1 31 9 14 LEU N N 124.386 0.012 1 32 10 15 GLU H H 8.380 0.008 1 33 10 15 GLU C C 176.002 0.000 1 34 10 15 GLU CA C 56.626 0.039 1 35 10 15 GLU CB C 30.543 0.059 1 36 10 15 GLU N N 120.405 0.016 1 37 11 16 ASN H H 8.486 0.008 1 38 11 16 ASN C C 175.111 0.014 1 39 11 16 ASN CA C 53.174 0.062 1 40 11 16 ASN CB C 38.830 0.042 1 41 11 16 ASN N N 119.263 0.028 1 42 12 17 LEU H H 8.402 0.008 1 43 12 17 LEU C C 177.686 0.015 1 44 12 17 LEU CA C 55.359 0.028 1 45 12 17 LEU CB C 42.283 0.044 1 46 12 17 LEU N N 123.133 0.017 1 47 13 18 GLU H H 8.493 0.007 1 48 13 18 GLU C C 176.332 0.000 1 49 13 18 GLU CA C 56.398 0.026 1 50 13 18 GLU CB C 30.329 0.026 1 51 13 18 GLU N N 121.015 0.020 1 52 14 19 ASP H H 8.376 0.009 1 53 14 19 ASP C C 176.336 0.009 1 54 14 19 ASP CA C 54.480 0.013 1 55 14 19 ASP CB C 41.435 0.000 1 56 14 19 ASP N N 121.212 0.069 1 57 15 20 ASP H H 8.369 0.009 1 58 15 20 ASP C C 176.272 0.001 1 59 15 20 ASP CA C 54.499 0.011 1 60 15 20 ASP CB C 41.418 0.000 1 61 15 20 ASP N N 121.284 0.018 1 62 16 21 ASP H H 8.421 0.008 1 63 16 21 ASP C C 176.406 0.003 1 64 16 21 ASP CA C 54.507 0.012 1 65 16 21 ASP CB C 41.348 0.012 1 66 16 21 ASP N N 121.428 0.050 1 67 17 22 GLU H H 8.386 0.008 1 68 17 22 GLU C C 176.253 0.014 1 69 17 22 GLU CA C 56.613 0.046 1 70 17 22 GLU CB C 30.384 0.054 1 71 17 22 GLU N N 121.346 0.061 1 72 18 23 PHE H H 8.310 0.007 1 73 18 23 PHE C C 175.627 0.008 1 74 18 23 PHE CA C 57.809 0.053 1 75 18 23 PHE CB C 39.775 0.063 1 76 18 23 PHE N N 121.313 0.039 1 77 19 24 GLU H H 8.239 0.008 1 78 19 24 GLU C C 175.395 0.003 1 79 19 24 GLU CA C 56.196 0.071 1 80 19 24 GLU CB C 30.753 0.041 1 81 19 24 GLU N N 123.632 0.031 1 82 20 25 ASP H H 8.310 0.008 1 83 20 25 ASP C C 176.048 0.012 1 84 20 25 ASP CA C 54.074 0.047 1 85 20 25 ASP CB C 41.321 0.033 1 86 20 25 ASP N N 122.234 0.023 1 87 21 26 PHE H H 8.244 0.008 1 88 21 26 PHE C C 175.783 0.005 1 89 21 26 PHE CA C 57.814 0.047 1 90 21 26 PHE CB C 39.430 0.008 1 91 21 26 PHE N N 121.309 0.011 1 92 22 27 ALA H H 8.317 0.009 1 93 22 27 ALA C C 178.008 0.008 1 94 22 27 ALA CA C 52.673 0.012 1 95 22 27 ALA CB C 19.261 0.016 1 96 22 27 ALA N N 125.361 0.027 1 97 23 28 THR H H 8.131 0.008 1 98 23 28 THR C C 174.846 0.012 1 99 23 28 THR CA C 62.200 0.086 1 100 23 28 THR CB C 69.705 0.069 1 101 23 28 THR N N 113.884 0.042 1 102 24 29 GLU H H 8.444 0.008 1 103 24 29 GLU C C 175.877 0.003 1 104 24 29 GLU CA C 56.517 0.074 1 105 24 29 GLU CB C 30.192 0.015 1 106 24 29 GLU N N 122.767 0.020 1 107 25 30 ASN H H 8.311 0.008 1 108 25 30 ASN C C 174.381 0.011 1 109 25 30 ASN CA C 53.035 0.139 1 110 25 30 ASN CB C 39.104 0.028 1 111 25 30 ASN N N 119.555 0.028 1 112 26 31 TRP H H 8.185 0.008 1 113 26 31 TRP C C 174.333 0.000 1 114 26 31 TRP CA C 55.057 0.000 1 115 26 31 TRP CB C 29.034 0.000 1 116 26 31 TRP N N 123.119 0.030 1 117 27 32 PRO C C 177.032 0.000 1 118 27 32 PRO CA C 63.326 0.078 1 119 27 32 PRO CB C 32.106 0.016 1 120 28 33 MET H H 8.517 0.008 1 121 28 33 MET C C 176.411 0.020 1 122 28 33 MET CA C 55.425 0.022 1 123 28 33 MET CB C 32.896 0.094 1 124 28 33 MET N N 120.894 0.060 1 125 29 34 LYS H H 8.447 0.008 1 126 29 34 LYS C C 176.421 0.021 1 127 29 34 LYS CA C 56.382 0.048 1 128 29 34 LYS CB C 33.402 0.045 1 129 29 34 LYS N N 123.417 0.110 1 130 30 35 ASP H H 8.610 0.008 1 131 30 35 ASP C C 176.691 0.011 1 132 30 35 ASP CA C 54.628 0.004 1 133 30 35 ASP CB C 41.002 0.052 1 134 30 35 ASP N N 122.445 0.020 1 135 31 36 THR H H 8.210 0.009 1 136 31 36 THR C C 174.834 0.007 1 137 31 36 THR CA C 62.184 0.048 1 138 31 36 THR CB C 69.720 0.044 1 139 31 36 THR N N 114.612 0.020 1 140 32 37 GLU H H 8.540 0.008 1 141 32 37 GLU C C 176.503 0.005 1 142 32 37 GLU CA C 56.494 0.035 1 143 32 37 GLU CB C 30.201 0.015 1 144 32 37 GLU N N 123.394 0.016 1 145 33 38 LEU H H 8.272 0.009 1 146 33 38 LEU C C 177.134 0.013 1 147 33 38 LEU CA C 55.046 0.053 1 148 33 38 LEU CB C 42.574 0.002 1 149 33 38 LEU N N 122.998 0.017 1 150 34 39 ASP H H 8.504 0.007 1 151 34 39 ASP C C 176.793 0.009 1 152 34 39 ASP CA C 54.127 0.013 1 153 34 39 ASP CB C 41.198 0.060 1 154 34 39 ASP N N 122.168 0.010 1 155 35 40 THR H H 8.318 0.008 1 156 35 40 THR C C 175.636 0.003 1 157 35 40 THR CA C 61.901 0.050 1 158 35 40 THR CB C 69.561 0.036 1 159 35 40 THR N N 114.749 0.020 1 160 36 41 GLY H H 8.542 0.008 1 161 36 41 GLY C C 174.026 0.006 1 162 36 41 GLY CA C 45.496 0.058 1 163 36 41 GLY N N 111.234 0.032 1 164 37 42 ASP H H 8.315 0.009 1 165 37 42 ASP C C 176.336 0.012 1 166 37 42 ASP CA C 54.381 0.039 1 167 37 42 ASP CB C 41.324 0.021 1 168 37 42 ASP N N 120.603 0.019 1 169 38 43 ASP H H 8.514 0.008 1 170 38 43 ASP C C 176.876 0.016 1 171 38 43 ASP CA C 54.490 0.038 1 172 38 43 ASP CB C 41.053 0.000 1 173 38 43 ASP N N 121.892 0.070 1 174 39 44 THR H H 8.224 0.008 1 175 39 44 THR C C 174.852 0.008 1 176 39 44 THR CA C 62.805 0.087 1 177 39 44 THR CB C 69.663 0.083 1 178 39 44 THR N N 114.644 0.027 1 179 40 45 LEU H H 8.151 0.008 1 180 40 45 LEU C C 177.109 0.005 1 181 40 45 LEU CA C 55.225 0.014 1 182 40 45 LEU CB C 41.970 0.034 1 183 40 45 LEU N N 124.417 0.016 1 184 41 46 TRP H H 8.110 0.008 1 185 41 46 TRP C C 176.186 0.012 1 186 41 46 TRP CA C 57.042 0.050 1 187 41 46 TRP CB C 29.657 0.053 1 188 41 46 TRP N N 122.341 0.032 1 189 42 47 GLU H H 8.121 0.008 1 190 42 47 GLU C C 175.655 0.006 1 191 42 47 GLU CA C 56.440 0.005 1 192 42 47 GLU CB C 30.678 0.038 1 193 42 47 GLU N N 122.695 0.053 1 194 43 48 ASN H H 8.235 0.010 1 195 43 48 ASN C C 174.675 0.005 1 196 43 48 ASN CA C 53.091 0.031 1 197 43 48 ASN CB C 38.887 0.039 1 198 43 48 ASN N N 119.473 0.020 1 199 44 49 ASN H H 8.280 0.008 1 200 44 49 ASN C C 175.078 0.015 1 201 44 49 ASN CA C 53.089 0.045 1 202 44 49 ASN CB C 38.928 0.008 1 203 44 49 ASN N N 119.586 0.010 1 204 45 50 TRP H H 8.145 0.008 1 205 45 50 TRP C C 175.987 0.022 1 206 45 50 TRP CA C 57.219 0.092 1 207 45 50 TRP CB C 29.472 0.044 1 208 45 50 TRP N N 121.673 0.016 1 209 46 51 ASP H H 8.284 0.009 1 210 46 51 ASP C C 175.949 0.016 1 211 46 51 ASP CA C 54.221 0.012 1 212 46 51 ASP CB C 41.208 0.013 1 213 46 51 ASP N N 121.906 0.080 1 214 47 52 ASP H H 8.184 0.009 1 215 47 52 ASP C C 176.473 0.007 1 216 47 52 ASP CA C 54.486 0.047 1 217 47 52 ASP CB C 41.270 0.038 1 218 47 52 ASP N N 121.114 0.062 1 219 48 53 GLU H H 8.391 0.007 1 220 48 53 GLU C C 176.290 0.018 1 221 48 53 GLU CA C 56.631 0.016 1 222 48 53 GLU CB C 30.518 0.039 1 223 48 53 GLU N N 121.139 0.034 1 224 49 54 ASP H H 8.489 0.008 1 225 49 54 ASP C C 176.315 0.002 1 226 49 54 ASP CA C 54.214 0.060 1 227 49 54 ASP CB C 41.167 0.016 1 228 49 54 ASP N N 122.075 0.066 1 229 50 55 ILE H H 8.186 0.009 1 230 50 55 ILE C C 176.961 0.005 1 231 50 55 ILE CA C 61.384 0.076 1 232 50 55 ILE CB C 38.718 0.092 1 233 50 55 ILE N N 121.372 0.069 1 234 51 56 GLY H H 8.535 0.008 1 235 51 56 GLY C C 173.949 0.012 1 236 51 56 GLY CA C 45.276 0.045 1 237 51 56 GLY N N 112.667 0.019 1 238 52 57 ASP H H 8.359 0.008 1 239 52 57 ASP C C 176.329 0.004 1 240 52 57 ASP CA C 54.351 0.014 1 241 52 57 ASP CB C 41.492 0.009 1 242 52 57 ASP N N 120.572 0.033 1 243 53 58 ASP H H 8.429 0.008 1 244 53 58 ASP C C 176.065 0.010 1 245 53 58 ASP CA C 54.449 0.014 1 246 53 58 ASP CB C 41.395 0.013 1 247 53 58 ASP N N 120.626 0.035 1 248 54 59 ASP H H 8.369 0.008 1 249 54 59 ASP C C 177.009 0.006 1 250 54 59 ASP CA C 54.536 0.012 1 251 54 59 ASP CB C 41.059 0.011 1 252 54 59 ASP N N 120.481 0.020 1 253 55 60 PHE H H 8.394 0.008 1 254 55 60 PHE C C 176.892 0.015 1 255 55 60 PHE CA C 59.293 0.039 1 256 55 60 PHE CB C 38.976 0.014 1 257 55 60 PHE N N 121.317 0.021 1 258 56 61 SER H H 8.283 0.009 1 259 56 61 SER C C 175.905 0.000 1 260 56 61 SER CA C 60.157 0.007 1 261 56 61 SER CB C 63.310 0.014 1 262 56 61 SER N N 116.919 0.008 1 263 57 62 VAL H H 8.121 0.008 1 264 57 62 VAL C C 178.041 0.001 1 265 57 62 VAL CA C 64.737 0.098 1 266 57 62 VAL CB C 32.102 0.095 1 267 57 62 VAL N N 122.693 0.041 1 268 58 63 GLN H H 8.280 0.009 1 269 58 63 GLN C C 177.650 0.011 1 270 58 63 GLN CA C 57.530 0.015 1 271 58 63 GLN CB C 28.620 0.035 1 272 58 63 GLN N N 121.989 0.035 1 273 59 64 LEU H H 8.189 0.008 1 274 59 64 LEU C C 178.865 0.009 1 275 59 64 LEU CA C 56.975 0.018 1 276 59 64 LEU CB C 41.922 0.036 1 277 59 64 LEU N N 122.297 0.023 1 278 60 65 GLN H H 8.221 0.009 1 279 60 65 GLN C C 177.605 0.008 1 280 60 65 GLN CA C 57.735 0.059 1 281 60 65 GLN CB C 28.766 0.036 1 282 60 65 GLN N N 118.964 0.018 1 283 61 66 ALA H H 8.106 0.008 1 284 61 66 ALA C C 179.654 0.007 1 285 61 66 ALA CA C 54.228 0.048 1 286 61 66 ALA CB C 18.510 0.008 1 287 61 66 ALA N N 123.138 0.025 1 288 62 67 GLU H H 8.209 0.008 1 289 62 67 GLU C C 178.245 0.008 1 290 62 67 GLU CA C 57.741 0.084 1 291 62 67 GLU CB C 29.726 0.040 1 292 62 67 GLU N N 119.361 0.057 1 293 63 68 LEU H H 8.153 0.008 1 294 63 68 LEU C C 178.863 0.007 1 295 63 68 LEU CA C 56.507 0.000 1 296 63 68 LEU CB C 41.859 0.036 1 297 63 68 LEU N N 121.403 0.032 1 298 64 69 LYS H H 8.028 0.009 1 299 64 69 LYS C C 177.704 0.013 1 300 64 69 LYS CA C 57.391 0.020 1 301 64 69 LYS CB C 32.740 0.031 1 302 64 69 LYS N N 120.356 0.064 1 303 65 70 LYS H H 7.975 0.008 1 304 65 70 LYS C C 177.282 0.002 1 305 65 70 LYS CA C 57.428 0.089 1 306 65 70 LYS CB C 32.960 0.003 1 307 65 70 LYS N N 120.933 0.010 1 308 66 71 LYS H H 8.158 0.008 1 309 66 71 LYS C C 177.387 0.022 1 310 66 71 LYS CA C 56.886 0.038 1 311 66 71 LYS CB C 33.180 0.002 1 312 66 71 LYS N N 121.059 0.016 1 313 67 72 GLY H H 8.302 0.010 1 314 67 72 GLY C C 174.126 0.009 1 315 67 72 GLY CA C 45.331 0.060 1 316 67 72 GLY N N 109.581 0.080 1 317 68 73 VAL H H 8.027 0.008 1 318 68 73 VAL C C 176.088 0.003 1 319 68 73 VAL CA C 62.040 0.049 1 320 68 73 VAL CB C 32.891 0.069 1 321 68 73 VAL N N 119.411 0.030 1 322 69 74 ALA H H 8.477 0.007 1 323 69 74 ALA C C 177.309 0.006 1 324 69 74 ALA CA C 52.377 0.033 1 325 69 74 ALA CB C 19.375 0.009 1 326 69 74 ALA N N 128.210 0.017 1 327 70 75 ALA H H 8.408 0.008 1 328 70 75 ALA C C 176.750 0.011 1 329 70 75 ALA CA C 52.431 0.019 1 330 70 75 ALA CB C 19.454 0.005 1 331 70 75 ALA N N 124.373 0.018 1 332 71 76 ASN H H 8.050 0.008 1 333 71 76 ASN C C 179.732 0.000 1 334 71 76 ASN CA C 54.703 0.000 1 335 71 76 ASN CB C 40.400 0.000 1 336 71 76 ASN N N 123.381 0.003 1 stop_ save_