data_27483 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of ICP27 1-138 ; _BMRB_accession_number 27483 _BMRB_flat_file_name bmr27483.str _Entry_type original _Submission_date 2018-05-15 _Accession_date 2018-05-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignment of intrinsically disordered region of HSV-1 ICP27 residues 1-138' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tunnicliffe Richard B. . 2 Tian Xiaochen . . 3 Storer Joanna . . 4 Sandri-Goldin Rozanne M. . 5 Golovanov Alexander P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 118 "13C chemical shifts" 391 "15N chemical shifts" 140 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-10 update BMRB 'update entry citation' 2018-09-24 original author 'original release' stop_ _Original_release_date 2018-05-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Overlapping motifs on the herpes viral proteins ICP27 and ORF57 mediate interactions with the mRNA export adaptors ALYREF and UIF ; _Citation_status published _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 Tunnicliffe Richard B. . 2 Tian Xiaochen . . 3 Storer Joanna . . 4 Sandri-Goldin Rozanne M. . 5 Golovanov Alexander P. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 8 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15005 _Page_last 15005 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ICP27 1-138' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ICP27 1-138' $ICP27 stop_ _System_molecular_weight 17119.64 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ICP27 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ICP27 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Multifunctional regulator of viral gene expression' 'Nuclear export of viral mRNAs' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; MATDIDMLIDLGLDLSDSDL DEDPPEPAESRRDDLESDSN GECSSSDEDMEDPHGEDGPE PILDAARPAVRPSRPEDPGV PSTQTPRPTERQGPNDPQPA PHSVWSRLGARRPSCSPERH GGKVARLQPPPTKAQPARKL LEVLFQGPLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 THR 4 ASP 5 ILE 6 ASP 7 MET 8 LEU 9 ILE 10 ASP 11 LEU 12 GLY 13 LEU 14 ASP 15 LEU 16 SER 17 ASP 18 SER 19 ASP 20 LEU 21 ASP 22 GLU 23 ASP 24 PRO 25 PRO 26 GLU 27 PRO 28 ALA 29 GLU 30 SER 31 ARG 32 ARG 33 ASP 34 ASP 35 LEU 36 GLU 37 SER 38 ASP 39 SER 40 ASN 41 GLY 42 GLU 43 CYS 44 SER 45 SER 46 SER 47 ASP 48 GLU 49 ASP 50 MET 51 GLU 52 ASP 53 PRO 54 HIS 55 GLY 56 GLU 57 ASP 58 GLY 59 PRO 60 GLU 61 PRO 62 ILE 63 LEU 64 ASP 65 ALA 66 ALA 67 ARG 68 PRO 69 ALA 70 VAL 71 ARG 72 PRO 73 SER 74 ARG 75 PRO 76 GLU 77 ASP 78 PRO 79 GLY 80 VAL 81 PRO 82 SER 83 THR 84 GLN 85 THR 86 PRO 87 ARG 88 PRO 89 THR 90 GLU 91 ARG 92 GLN 93 GLY 94 PRO 95 ASN 96 ASP 97 PRO 98 GLN 99 PRO 100 ALA 101 PRO 102 HIS 103 SER 104 VAL 105 TRP 106 SER 107 ARG 108 LEU 109 GLY 110 ALA 111 ARG 112 ARG 113 PRO 114 SER 115 CYS 116 SER 117 PRO 118 GLU 119 ARG 120 HIS 121 GLY 122 GLY 123 LYS 124 VAL 125 ALA 126 ARG 127 LEU 128 GLN 129 PRO 130 PRO 131 PRO 132 THR 133 LYS 134 ALA 135 GLN 136 PRO 137 ALA 138 ARG 139 LYS 140 LEU 141 LEU 142 GLU 143 VAL 144 LEU 145 PHE 146 GLN 147 GLY 148 PRO 149 LEU 150 GLU 151 HIS 152 HIS 153 HIS 154 HIS 155 HIS 156 HIS 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 Q9J0X9 ICP27 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $ICP27 'Herpes simplex virus 1' 10298 Viruses . Simplexvirus 'Herpes simplex virus 1' KOS UL54 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 $ICP27 'recombinant technology' . Escherichia coli 'BL21(DE3) Codon plus RP' pET-24b 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 $ICP27 1.0 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' L-Arginine 50 mM 'natural abundance' L-Glutamate 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' TCEP 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.12 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 0.17 . M 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 HNCO' '3D HN(CA)CO' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' 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 'ICP27 1-138' _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 4 4 ASP H H 8.422 0.002 1 2 4 4 ASP C C 176.432 0.000 1 3 4 4 ASP CA C 54.690 0.000 1 4 4 4 ASP CB C 40.928 0.000 1 5 4 4 ASP N N 123.139 0.000 1 6 5 5 ILE H H 7.974 0.001 1 7 5 5 ILE C C 176.086 0.000 1 8 5 5 ILE CA C 61.730 0.000 1 9 5 5 ILE CB C 38.711 0.000 1 10 5 5 ILE N N 120.104 0.005 1 11 6 6 ASP H H 8.151 0.001 1 12 6 6 ASP C C 176.492 0.000 1 13 6 6 ASP CA C 55.080 0.000 1 14 6 6 ASP CB C 40.942 0.000 1 15 6 6 ASP N N 122.967 0.000 1 16 7 7 MET H H 8.008 0.000 1 17 7 7 MET C C 176.219 0.000 1 18 7 7 MET CA C 55.912 0.000 1 19 7 7 MET CB C 32.632 0.000 1 20 7 7 MET N N 119.950 0.000 1 21 8 8 LEU H H 8.027 0.001 1 22 8 8 LEU C C 177.441 0.000 1 23 8 8 LEU CA C 55.657 0.000 1 24 8 8 LEU CB C 41.847 0.000 1 25 8 8 LEU N N 122.084 0.000 1 26 9 9 ILE H H 7.843 0.001 1 27 9 9 ILE C C 176.051 0.000 1 28 9 9 ILE CA C 61.469 0.000 1 29 9 9 ILE CB C 38.735 0.000 1 30 9 9 ILE N N 120.867 0.000 1 31 10 10 ASP H H 8.223 0.000 1 32 10 10 ASP C C 176.390 0.000 1 33 10 10 ASP CA C 54.372 0.000 1 34 10 10 ASP CB C 41.049 0.000 1 35 10 10 ASP N N 123.739 0.000 1 36 11 11 LEU H H 8.142 0.001 1 37 11 11 LEU C C 178.023 0.000 1 38 11 11 LEU CA C 55.430 0.000 1 39 11 11 LEU CB C 42.077 0.000 1 40 11 11 LEU N N 122.907 0.000 1 41 12 12 GLY H H 8.325 0.001 1 42 12 12 GLY C C 174.291 0.000 1 43 12 12 GLY CA C 45.627 0.000 1 44 12 12 GLY N N 108.533 0.000 1 45 13 13 LEU H H 7.807 0.001 1 46 13 13 LEU C C 176.765 0.000 1 47 13 13 LEU CA C 54.990 0.000 1 48 13 13 LEU CB C 42.553 0.000 1 49 13 13 LEU N N 120.786 0.000 1 50 14 14 ASP H H 8.325 0.001 1 51 14 14 ASP C C 176.063 0.000 1 52 14 14 ASP CA C 54.145 0.000 1 53 14 14 ASP CB C 40.897 0.000 1 54 14 14 ASP N N 120.991 0.000 1 55 15 15 LEU H H 8.131 0.001 1 56 15 15 LEU C C 177.568 0.000 1 57 15 15 LEU CA C 54.950 0.000 1 58 15 15 LEU CB C 42.045 0.000 1 59 15 15 LEU N N 123.329 0.000 1 60 16 16 SER H H 8.320 0.001 1 61 16 16 SER C C 174.438 0.000 1 62 16 16 SER CA C 58.743 0.000 1 63 16 16 SER CB C 64.063 0.000 1 64 16 16 SER N N 116.642 0.000 1 65 17 17 ASP H H 8.291 0.001 1 66 17 17 ASP C C 176.347 0.000 1 67 17 17 ASP CA C 54.463 0.000 1 68 17 17 ASP CB C 40.971 0.000 1 69 17 17 ASP N N 122.335 0.006 1 70 18 18 SER H H 8.089 0.001 1 71 18 18 SER C C 174.295 0.000 1 72 18 18 SER CA C 58.670 0.000 1 73 18 18 SER CB C 64.089 0.000 1 74 18 18 SER N N 115.630 0.007 1 75 19 19 ASP H H 8.297 0.002 1 76 19 19 ASP C C 176.070 0.000 1 77 19 19 ASP CA C 54.526 0.000 1 78 19 19 ASP CB C 40.983 0.000 1 79 19 19 ASP N N 122.518 0.008 1 80 20 20 LEU H H 7.943 0.001 1 81 20 20 LEU C C 177.032 0.000 1 82 20 20 LEU CA C 55.128 0.000 1 83 20 20 LEU CB C 42.482 0.000 1 84 20 20 LEU N N 121.557 0.000 1 85 21 21 ASP H H 8.183 0.000 1 86 21 21 ASP C C 175.852 0.000 1 87 21 21 ASP CA C 54.285 0.000 1 88 21 21 ASP CB C 41.111 0.000 1 89 21 21 ASP N N 121.232 0.000 1 90 22 22 GLU H H 8.091 0.001 1 91 22 22 GLU C C 175.871 0.000 1 92 22 22 GLU CA C 56.011 0.000 1 93 22 22 GLU CB C 30.739 0.000 1 94 22 22 GLU N N 120.800 0.004 1 95 23 23 ASP H H 8.371 0.002 1 96 23 23 ASP C C 173.443 0.000 1 97 23 23 ASP CA C 52.711 0.000 1 98 23 23 ASP CB C 40.301 0.000 1 99 23 23 ASP N N 122.926 0.000 1 100 24 24 PRO CA C 61.390 0.000 1 101 24 24 PRO CD C 50.304 0.000 1 102 24 24 PRO N N 137.312 0.000 1 103 25 25 PRO C C 174.739 0.003 1 104 25 25 PRO CA C 62.655 0.000 1 105 25 25 PRO CD C 50.276 0.000 1 106 25 25 PRO N N 134.980 0.007 1 107 26 26 GLU H H 8.303 0.001 1 108 26 26 GLU C C 174.611 0.000 1 109 26 26 GLU CA C 54.219 0.000 1 110 26 26 GLU CB C 29.558 0.000 1 111 26 26 GLU N N 121.994 0.000 1 112 27 27 PRO C C 176.764 0.000 1 113 27 27 PRO CA C 63.151 0.076 1 114 27 27 PRO CB C 32.041 0.000 1 115 27 27 PRO CD C 50.543 0.000 1 116 27 27 PRO N N 137.534 0.007 1 117 28 28 ALA H H 8.382 0.001 1 118 28 28 ALA C C 178.009 0.000 1 119 28 28 ALA CA C 52.707 0.000 1 120 28 28 ALA CB C 19.320 0.000 1 121 28 28 ALA N N 124.535 0.000 1 122 29 29 GLU H H 8.354 0.001 1 123 29 29 GLU C C 176.479 0.000 1 124 29 29 GLU CA C 56.669 0.000 1 125 29 29 GLU CB C 30.091 0.000 1 126 29 29 GLU N N 119.544 0.008 1 127 30 30 SER H H 8.198 0.001 1 128 30 30 SER C C 174.295 0.000 1 129 30 30 SER CA C 58.407 0.000 1 130 30 30 SER CB C 63.894 0.000 1 131 30 30 SER N N 116.923 0.000 1 132 31 31 ARG H H 8.240 0.000 1 133 31 31 ARG C C 176.173 0.000 1 134 31 31 ARG CA C 56.017 0.000 1 135 31 31 ARG CB C 30.552 0.000 1 136 31 31 ARG N N 123.150 0.000 1 137 32 32 ARG H H 8.332 0.001 1 138 32 32 ARG C C 176.180 0.000 1 139 32 32 ARG CA C 56.117 0.000 1 140 32 32 ARG CB C 30.402 0.000 1 141 32 32 ARG N N 122.782 0.000 1 142 33 33 ASP H H 8.347 0.001 1 143 33 33 ASP C C 175.919 0.000 1 144 33 33 ASP CA C 54.451 0.000 1 145 33 33 ASP CB C 41.127 0.000 1 146 33 33 ASP N N 121.329 0.000 1 147 34 34 ASP H H 8.244 0.001 1 148 34 34 ASP C C 176.208 0.000 1 149 34 34 ASP CA C 54.354 0.000 1 150 34 34 ASP CB C 40.850 0.000 1 151 34 34 ASP N N 119.935 0.008 1 152 35 35 LEU H H 8.009 0.001 1 153 35 35 LEU C C 177.655 0.000 1 154 35 35 LEU CA C 55.404 0.000 1 155 35 35 LEU CB C 42.341 0.000 1 156 35 35 LEU N N 121.472 0.000 1 157 36 36 GLU H H 8.257 0.001 1 158 36 36 GLU C C 176.592 0.000 1 159 36 36 GLU CA C 56.635 0.000 1 160 36 36 GLU CB C 29.969 0.000 1 161 36 36 GLU N N 120.990 0.000 1 162 37 37 SER H H 8.143 0.001 1 163 37 37 SER C C 174.369 0.000 1 164 37 37 SER CA C 58.406 0.000 1 165 37 37 SER CB C 64.100 0.000 1 166 37 37 SER N N 116.318 0.000 1 167 38 38 ASP H H 8.313 0.001 1 168 38 38 ASP C C 176.459 0.000 1 169 38 38 ASP CA C 54.387 0.000 1 170 38 38 ASP CB C 41.079 0.000 1 171 38 38 ASP N N 122.468 0.000 1 172 39 39 SER H H 8.194 0.001 1 173 39 39 SER C C 174.639 0.000 1 174 39 39 SER CA C 58.594 0.000 1 175 39 39 SER CB C 63.878 0.000 1 176 39 39 SER N N 116.010 0.006 1 177 40 40 ASN H H 8.410 0.002 1 178 40 40 ASN C C 175.753 0.000 1 179 40 40 ASN CA C 53.470 0.000 1 180 40 40 ASN CB C 38.950 0.000 1 181 40 40 ASN N N 120.631 0.003 1 182 41 41 GLY H H 8.243 0.001 1 183 41 41 GLY C C 174.185 0.000 1 184 41 41 GLY CA C 45.589 0.000 1 185 41 41 GLY N N 108.941 0.000 1 186 42 42 GLU H H 8.211 0.001 1 187 42 42 GLU C C 176.504 0.000 1 188 42 42 GLU CA C 56.638 0.000 1 189 42 42 GLU CB C 30.111 0.000 1 190 42 42 GLU N N 120.526 0.000 1 191 43 43 CYS H H 8.396 0.001 1 192 43 43 CYS C C 174.577 0.000 1 193 43 43 CYS CA C 58.431 0.000 1 194 43 43 CYS CB C 27.865 0.000 1 195 43 43 CYS N N 120.303 0.000 1 196 44 44 SER H H 8.423 0.000 1 197 44 44 SER C C 174.511 0.000 1 198 44 44 SER CA C 58.297 0.000 1 199 44 44 SER CB C 64.033 0.000 1 200 44 44 SER N N 118.738 0.000 1 201 45 45 SER H H 8.355 0.001 1 202 45 45 SER C C 174.487 0.000 1 203 45 45 SER CA C 58.310 0.000 1 204 45 45 SER CB C 63.988 0.000 1 205 45 45 SER N N 118.066 0.000 1 206 46 46 SER H H 8.360 0.001 1 207 46 46 SER C C 174.373 0.000 1 208 46 46 SER CA C 58.298 0.000 1 209 46 46 SER CB C 63.923 0.000 1 210 46 46 SER N N 117.827 0.006 1 211 47 47 ASP H H 8.286 0.003 1 212 47 47 ASP C C 176.379 0.000 1 213 47 47 ASP CA C 54.728 0.000 1 214 47 47 ASP N N 122.302 0.039 1 215 48 48 GLU H H 8.202 0.001 1 216 48 48 GLU C C 176.230 0.000 1 217 48 48 GLU CA C 56.805 0.000 1 218 48 48 GLU CB C 30.363 0.000 1 219 48 48 GLU N N 120.472 0.000 1 220 49 49 ASP H H 8.226 0.001 1 221 49 49 ASP C C 176.130 0.000 1 222 49 49 ASP CA C 54.450 0.000 1 223 49 49 ASP CB C 40.994 0.000 1 224 49 49 ASP N N 120.899 0.000 1 225 50 50 MET H H 8.096 0.001 1 226 50 50 MET C C 176.039 0.000 1 227 50 50 MET CA C 55.384 0.000 1 228 50 50 MET CB C 33.018 0.000 1 229 50 50 MET N N 120.484 0.006 1 230 51 51 GLU H H 8.254 0.000 1 231 51 51 GLU C C 175.862 0.000 1 232 51 51 GLU CA C 56.288 0.000 1 233 51 51 GLU CB C 30.299 0.000 1 234 51 51 GLU N N 121.856 0.000 1 235 52 52 ASP H H 8.333 0.000 1 236 52 52 ASP C C 174.500 0.000 1 237 52 52 ASP CA C 52.210 0.000 1 238 52 52 ASP CB C 41.001 0.000 1 239 52 52 ASP N N 122.843 0.013 1 240 53 53 PRO C C 177.044 0.000 1 241 53 53 PRO CA C 63.574 0.000 1 242 53 53 PRO CB C 32.037 0.000 1 243 54 54 HIS H H 8.532 0.001 1 244 54 54 HIS C C 175.160 0.000 1 245 54 54 HIS CA C 55.473 0.000 1 246 54 54 HIS CB C 28.872 0.000 1 247 54 54 HIS N N 118.234 0.000 1 248 55 55 GLY H H 8.209 0.001 1 249 55 55 GLY C C 174.167 0.000 1 250 55 55 GLY CA C 45.440 0.000 1 251 55 55 GLY N N 109.514 0.008 1 252 56 56 GLU H H 8.383 0.001 1 253 56 56 GLU C C 176.256 0.000 1 254 56 56 GLU CA C 56.509 0.000 1 255 56 56 GLU CB C 30.126 0.000 1 256 56 56 GLU N N 120.468 0.000 1 257 57 57 ASP H H 8.325 0.001 1 258 57 57 ASP C C 176.283 0.000 1 259 57 57 ASP CA C 54.343 0.000 1 260 57 57 ASP CB C 41.298 0.000 1 261 57 57 ASP N N 121.051 0.022 1 262 58 58 GLY H H 8.049 0.000 1 263 58 58 GLY C C 171.580 0.002 1 264 58 58 GLY CA C 44.605 0.000 1 265 58 58 GLY N N 108.860 0.000 1 266 59 59 PRO C C 171.583 0.000 1 267 59 59 PRO CA C 62.931 0.000 1 268 59 59 PRO CD C 49.622 0.000 1 269 59 59 PRO N N 133.657 0.040 1 270 60 60 GLU H H 8.359 0.001 1 271 60 60 GLU C C 173.797 0.000 1 272 60 60 GLU CA C 53.440 0.000 1 273 60 60 GLU CB C 28.925 0.000 1 274 60 60 GLU N N 121.352 0.017 1 275 61 61 PRO C C 175.184 1.387 1 276 61 61 PRO CA C 62.897 0.000 1 277 61 61 PRO CD C 50.394 0.000 1 278 61 61 PRO N N 137.032 0.000 1 279 62 62 ILE H H 8.162 0.000 1 280 62 62 ILE C C 176.266 0.000 1 281 62 62 ILE CA C 61.045 0.000 1 282 62 62 ILE CB C 38.448 0.000 1 283 62 62 ILE N N 121.412 0.000 1 284 63 63 LEU H H 8.259 0.001 1 285 63 63 LEU C C 176.897 0.000 1 286 63 63 LEU CA C 55.023 0.000 1 287 63 63 LEU CB C 42.348 0.000 1 288 63 63 LEU N N 126.757 0.010 1 289 64 64 ASP H H 8.206 0.000 1 290 64 64 ASP C C 176.018 0.000 1 291 64 64 ASP CA C 54.325 0.000 1 292 64 64 ASP CB C 41.112 0.000 1 293 64 64 ASP N N 121.554 0.000 1 294 65 65 ALA H H 8.099 0.000 1 295 65 65 ALA C C 176.025 0.000 1 296 65 65 ALA CA C 52.649 0.000 1 297 65 65 ALA CB C 19.043 0.000 1 298 65 65 ALA N N 124.292 0.006 1 299 66 66 ALA H H 8.105 0.000 1 300 66 66 ALA C C 177.336 0.000 1 301 66 66 ALA CA C 52.320 0.102 1 302 66 66 ALA CB C 18.970 0.128 1 303 66 66 ALA N N 121.979 0.000 1 304 67 67 ARG H H 7.963 0.001 1 305 67 67 ARG C C 173.949 0.000 1 306 67 67 ARG CA C 53.832 0.000 1 307 67 67 ARG CB C 30.092 0.000 1 308 67 67 ARG N N 120.960 0.000 1 309 68 68 PRO C C 176.469 0.000 1 310 68 68 PRO CA C 63.037 0.000 1 311 68 68 PRO CD C 50.495 0.000 1 312 68 68 PRO N N 136.769 0.000 1 313 69 69 ALA H H 8.303 0.001 1 314 69 69 ALA C C 177.591 0.000 1 315 69 69 ALA CA C 52.301 0.000 1 316 69 69 ALA N N 124.412 0.000 1 317 70 70 VAL H H 8.009 0.000 1 318 70 70 VAL C C 175.766 0.000 1 319 70 70 VAL CA C 61.951 0.000 1 320 70 70 VAL CB C 32.731 0.000 1 321 70 70 VAL N N 119.604 0.000 1 322 71 71 ARG H H 8.349 0.000 1 323 71 71 ARG C C 173.977 0.000 1 324 71 71 ARG CA C 53.717 0.000 1 325 71 71 ARG CB C 30.140 0.000 1 326 71 71 ARG N N 126.285 0.012 1 327 72 72 PRO C C 176.762 0.000 1 328 72 72 PRO CA C 62.965 0.000 1 329 72 72 PRO CD C 50.525 0.000 1 330 72 72 PRO N N 137.008 0.025 1 331 73 73 SER H H 8.370 0.001 1 332 73 73 SER C C 174.029 0.000 1 333 73 73 SER CA C 58.336 0.000 1 334 73 73 SER CB C 64.072 0.000 1 335 73 73 SER N N 116.748 0.000 1 336 74 74 ARG H H 8.259 0.001 1 337 74 74 ARG C C 174.208 0.000 1 338 74 74 ARG CA C 53.886 0.000 1 339 74 74 ARG CB C 30.164 0.000 1 340 74 74 ARG N N 123.388 0.000 1 341 75 75 PRO C C 176.803 0.000 1 342 75 75 PRO CA C 63.364 0.000 1 343 75 75 PRO CD C 50.477 0.000 1 344 75 75 PRO N N 136.980 0.000 1 345 76 76 GLU H H 8.507 0.001 1 346 76 76 GLU C C 175.974 0.000 1 347 76 76 GLU CA C 56.454 0.000 1 348 76 76 GLU CB C 29.891 0.000 1 349 76 76 GLU N N 120.034 0.000 1 350 77 77 ASP H H 8.186 0.001 1 351 77 77 ASP C C 174.616 0.000 1 352 77 77 ASP CA C 52.167 0.000 1 353 77 77 ASP CB C 41.106 0.000 1 354 77 77 ASP N N 122.882 0.005 1 355 78 78 PRO C C 177.477 0.004 1 356 78 78 PRO CA C 63.493 0.000 1 357 78 78 PRO CD C 50.522 0.000 1 358 78 78 PRO N N 136.380 0.000 1 359 79 79 GLY H H 8.410 0.001 1 360 79 79 GLY C C 177.481 0.000 1 361 79 79 GLY CA C 45.102 0.000 1 362 79 79 GLY N N 108.550 0.011 1 363 80 80 VAL H H 7.776 0.000 1 364 80 80 VAL C C 174.451 0.000 1 365 80 80 VAL CA C 59.692 0.000 1 366 80 80 VAL N N 120.453 0.000 1 367 81 81 PRO C C 177.058 0.000 1 368 81 81 PRO CA C 63.232 0.000 1 369 81 81 PRO CD C 50.870 0.000 1 370 81 81 PRO N N 139.440 0.000 1 371 82 82 SER H H 8.411 0.001 1 372 82 82 SER C C 175.062 0.000 1 373 82 82 SER CA C 58.434 0.000 1 374 82 82 SER N N 116.254 0.000 1 375 83 83 THR H H 8.077 0.001 1 376 83 83 THR C C 174.454 0.000 1 377 83 83 THR CA C 61.884 0.000 1 378 83 83 THR CB C 69.708 0.000 1 379 83 83 THR N N 115.298 0.009 1 380 84 84 GLN H H 8.259 0.001 1 381 84 84 GLN C C 175.686 0.000 1 382 84 84 GLN CA C 55.696 0.000 1 383 84 84 GLN CB C 29.274 0.000 1 384 84 84 GLN N N 122.300 0.000 1 385 85 85 THR H H 8.134 0.000 1 386 85 85 THR C C 172.611 0.000 1 387 85 85 THR CA C 59.941 0.000 1 388 85 85 THR CB C 69.724 0.000 1 389 85 85 THR N N 118.503 0.000 1 390 86 86 PRO CA C 63.071 0.000 1 391 86 86 PRO CD C 50.956 0.000 1 392 86 86 PRO N N 139.097 0.015 1 393 87 87 ARG H H 8.382 0.001 1 394 87 87 ARG C C 174.524 0.000 1 395 87 87 ARG CA C 53.904 0.000 1 396 87 87 ARG CB C 30.045 0.000 1 397 87 87 ARG N N 122.638 0.000 1 398 88 88 PRO C C 177.084 0.000 1 399 88 88 PRO CA C 63.279 0.000 1 400 88 88 PRO CD C 50.555 0.000 1 401 88 88 PRO N N 137.035 0.004 1 402 89 89 THR H H 8.104 0.001 1 403 89 89 THR C C 174.605 0.000 1 404 89 89 THR CA C 62.080 0.000 1 405 89 89 THR CB C 69.769 0.000 1 406 89 89 THR N N 113.923 0.000 1 407 90 90 GLU H H 8.295 0.001 1 408 90 90 GLU C C 176.138 0.000 1 409 90 90 GLU CA C 56.451 0.000 1 410 90 90 GLU CB C 30.238 0.000 1 411 90 90 GLU N N 123.157 0.000 1 412 91 91 ARG H H 8.278 0.001 1 413 91 91 ARG C C 175.946 0.000 1 414 91 91 ARG CA C 56.104 0.000 1 415 91 91 ARG CB C 30.577 0.000 1 416 91 91 ARG N N 122.073 0.000 1 417 92 92 GLN H H 8.431 0.001 1 418 92 92 GLN C C 175.957 0.000 1 419 92 92 GLN CA C 55.667 0.000 1 420 92 92 GLN CB C 29.621 0.000 1 421 92 92 GLN N N 122.095 0.000 1 422 93 93 GLY H H 8.406 0.000 1 423 93 93 GLY C C 172.160 0.000 1 424 93 93 GLY CA C 44.558 0.000 1 425 93 93 GLY N N 111.008 0.000 1 426 94 94 PRO C C 176.924 0.000 1 427 94 94 PRO CA C 63.506 0.000 1 428 94 94 PRO CD C 49.605 0.000 1 429 94 94 PRO N N 133.569 0.025 1 430 95 95 ASN H H 8.454 0.001 1 431 95 95 ASN C C 174.539 0.000 1 432 95 95 ASN CA C 52.944 0.000 1 433 95 95 ASN CB C 39.013 0.000 1 434 95 95 ASN N N 117.797 0.000 1 435 96 96 ASP H H 7.924 0.000 1 436 96 96 ASP C C 174.053 0.000 1 437 96 96 ASP CA C 52.712 0.000 1 438 96 96 ASP CB C 40.604 0.000 1 439 96 96 ASP N N 121.982 0.003 1 440 97 97 PRO CA C 63.038 0.000 1 441 97 97 PRO CD C 50.350 0.000 1 442 97 97 PRO N N 136.104 0.029 1 443 98 98 GLN H H 8.352 0.001 1 444 98 98 GLN C C 174.544 0.000 1 445 98 98 GLN CA C 54.470 0.000 1 446 98 98 GLN CB C 29.531 0.000 1 447 98 98 GLN N N 122.358 0.000 1 448 99 99 PRO C C 176.181 0.000 1 449 99 99 PRO CA C 63.087 0.000 1 450 99 99 PRO CD C 50.486 0.000 1 451 99 99 PRO N N 137.240 0.000 1 452 100 100 ALA H H 8.320 0.000 1 453 100 100 ALA C C 175.712 0.000 1 454 100 100 ALA CA C 50.297 0.000 1 455 100 100 ALA CB C 17.885 0.000 1 456 100 100 ALA N N 125.551 0.000 1 457 101 101 PRO CA C 63.159 0.000 1 458 101 101 PRO N N 135.279 0.000 1 459 102 102 HIS H H 8.344 0.002 1 460 102 102 HIS C C 175.009 0.000 1 461 102 102 HIS CA C 55.936 0.000 1 462 102 102 HIS CB C 29.471 0.000 1 463 102 102 HIS N N 118.136 0.025 1 464 103 103 SER H H 8.170 0.004 1 465 103 103 SER CA C 58.315 0.000 1 466 103 103 SER CB C 64.075 0.000 1 467 103 103 SER N N 116.715 0.009 1 468 104 104 VAL H H 8.108 0.001 1 469 104 104 VAL C C 176.033 0.000 1 470 104 104 VAL CA C 62.901 0.000 1 471 104 104 VAL CB C 32.342 0.000 1 472 104 104 VAL N N 121.282 0.000 1 473 105 105 TRP H H 7.979 0.001 1 474 105 105 TRP C C 176.489 0.000 1 475 105 105 TRP CA C 57.430 0.000 1 476 105 105 TRP CB C 29.384 0.000 1 477 105 105 TRP N N 123.015 0.000 1 478 106 106 SER H H 7.892 0.002 1 479 106 106 SER C C 174.511 0.000 1 480 106 106 SER CA C 58.507 0.000 1 481 106 106 SER CB C 63.915 0.000 1 482 106 106 SER N N 116.778 0.012 1 483 107 107 ARG H H 8.036 0.001 1 484 107 107 ARG C C 176.409 0.000 1 485 107 107 ARG CA C 56.609 0.000 1 486 107 107 ARG CB C 30.308 0.000 1 487 107 107 ARG N N 122.432 0.000 1 488 108 108 LEU H H 8.023 0.001 1 489 108 108 LEU C C 177.897 0.000 1 490 108 108 LEU CA C 55.477 0.000 1 491 108 108 LEU CB C 42.316 0.000 1 492 108 108 LEU N N 121.643 0.000 1 493 109 109 GLY H H 8.175 0.001 1 494 109 109 GLY C C 173.748 0.000 1 495 109 109 GLY CA C 45.249 0.000 1 496 109 109 GLY N N 109.186 0.014 1 497 110 110 ALA H H 7.951 0.001 1 498 110 110 ALA C C 177.507 0.000 1 499 110 110 ALA CA C 52.294 0.000 1 500 110 110 ALA CB C 19.249 0.000 1 501 110 110 ALA N N 123.369 0.000 1 502 111 111 ARG H H 8.175 0.001 1 503 111 111 ARG C C 175.971 0.000 1 504 111 111 ARG CA C 55.855 0.000 1 505 111 111 ARG CB C 30.577 0.000 1 506 111 111 ARG N N 120.032 0.000 1 507 112 112 ARG H H 8.260 0.001 1 508 112 112 ARG C C 174.208 0.000 1 509 112 112 ARG CA C 53.831 0.000 1 510 112 112 ARG CB C 30.217 0.000 1 511 112 112 ARG N N 123.482 0.000 1 512 113 113 PRO C C 176.845 0.000 1 513 113 113 PRO CA C 63.361 0.000 1 514 113 113 PRO N N 137.240 0.000 1 515 114 114 SER H H 8.385 0.001 1 516 114 114 SER CA C 58.459 0.000 1 517 114 114 SER CB C 62.785 0.000 1 518 114 114 SER N N 116.002 0.000 1 519 115 115 CYS H H 8.253 0.011 1 520 115 115 CYS C C 174.081 0.000 1 521 115 115 CYS CB C 28.315 0.084 1 522 115 115 CYS N N 120.342 0.002 1 523 116 116 SER H H 8.325 0.001 1 524 116 116 SER CA C 56.474 0.000 1 525 116 116 SER CB C 63.452 0.000 1 526 116 116 SER N N 119.199 0.000 1 527 118 118 GLU H H 8.398 0.001 1 528 118 118 GLU C C 176.489 0.000 1 529 118 118 GLU CA C 56.683 0.000 1 530 118 118 GLU CB C 29.989 0.000 1 531 118 118 GLU N N 120.624 0.000 1 532 119 119 ARG H H 8.189 0.001 1 533 119 119 ARG C C 173.796 0.000 1 534 119 119 ARG CA C 55.983 0.000 1 535 119 119 ARG CB C 30.591 0.000 1 536 119 119 ARG N N 121.848 0.000 1 537 120 120 HIS H H 8.257 0.002 1 538 120 120 HIS C C 175.475 0.000 1 539 120 120 HIS N N 119.609 0.006 1 540 121 121 GLY H H 8.425 0.003 1 541 121 121 GLY C C 174.564 0.000 1 542 121 121 GLY CA C 45.431 0.000 1 543 121 121 GLY N N 110.250 0.000 1 544 122 122 GLY H H 8.271 0.002 1 545 122 122 GLY C C 173.978 0.000 1 546 122 122 GLY CA C 45.110 0.000 1 547 122 122 GLY N N 108.700 0.011 1 548 123 123 LYS H H 8.144 0.001 1 549 123 123 LYS C C 176.612 0.000 1 550 123 123 LYS CA C 56.367 0.000 1 551 123 123 LYS N N 120.849 0.000 1 552 124 124 VAL H H 8.061 0.001 1 553 124 124 VAL C C 175.734 0.000 1 554 124 124 VAL CA C 62.171 0.000 1 555 124 124 VAL N N 121.314 0.000 1 556 125 125 ALA H H 8.282 0.002 1 557 125 125 ALA C C 177.328 0.000 1 558 125 125 ALA CA C 52.365 0.000 1 559 125 125 ALA CB C 19.110 0.000 1 560 125 125 ALA N N 128.183 0.000 1 561 126 126 ARG H H 8.184 0.002 1 562 126 126 ARG C C 175.988 0.000 1 563 126 126 ARG CA C 56.012 0.064 1 564 126 126 ARG CB C 30.775 0.115 1 565 126 126 ARG N N 120.495 0.029 1 566 127 127 LEU H H 8.181 0.001 1 567 127 127 LEU C C 176.850 0.000 1 568 127 127 LEU CA C 54.967 0.000 1 569 127 127 LEU CB C 42.351 0.000 1 570 127 127 LEU N N 123.554 0.000 1 571 128 128 GLN H H 8.258 0.002 1 572 128 128 GLN C C 173.321 0.004 1 573 128 128 GLN CA C 53.359 0.000 1 574 128 128 GLN CB C 29.204 0.000 1 575 128 128 GLN N N 122.512 0.007 1 576 129 129 PRO C C 174.080 0.000 1 577 129 129 PRO CA C 61.392 0.000 1 578 129 129 PRO CD C 50.406 0.000 1 579 129 129 PRO N N 138.528 0.009 1 580 130 130 PRO C C 174.735 0.000 1 581 130 130 PRO CA C 61.260 0.000 1 582 130 130 PRO N N 136.373 0.000 1 583 131 131 PRO C C 177.061 0.000 1 584 131 131 PRO CA C 62.793 0.000 1 585 131 131 PRO N N 134.789 0.000 1 586 132 132 THR H H 8.104 0.001 1 587 132 132 THR C C 174.464 0.000 1 588 132 132 THR CA C 61.860 0.000 1 589 132 132 THR N N 114.550 0.010 1 590 133 133 LYS H H 8.219 0.002 1 591 133 133 LYS C C 175.980 0.000 1 592 133 133 LYS CA C 56.109 0.000 1 593 133 133 LYS CB C 33.060 0.000 1 594 133 133 LYS N N 123.657 0.004 1 595 134 134 ALA H H 8.221 0.001 1 596 134 134 ALA C C 177.421 0.000 1 597 134 134 ALA CA C 52.235 0.000 1 598 134 134 ALA CB C 19.105 0.000 1 599 134 134 ALA N N 125.454 0.000 1 600 135 135 GLN H H 8.274 0.001 1 601 135 135 GLN C C 174.525 1.133 1 602 135 135 GLN CA C 53.545 0.000 1 603 135 135 GLN CB C 28.843 0.000 1 604 135 135 GLN N N 120.825 0.000 1 605 136 136 PRO CA C 62.909 0.000 1 606 136 136 PRO CD C 50.395 0.000 1 607 136 136 PRO N N 137.180 0.000 1 608 137 137 ALA H H 8.326 0.000 1 609 137 137 ALA C C 177.819 0.000 1 610 137 137 ALA CA C 52.525 0.000 1 611 137 137 ALA CB C 19.029 0.000 1 612 137 137 ALA N N 124.233 0.000 1 613 138 138 ARG H H 8.196 0.005 1 614 138 138 ARG CA C 56.097 0.000 1 615 138 138 ARG CB C 30.553 0.000 1 616 138 138 ARG N N 120.330 0.000 1 617 141 141 LEU C C 177.311 0.000 1 618 143 143 VAL H H 7.940 0.001 1 619 143 143 VAL C C 175.919 0.000 1 620 143 143 VAL CA C 62.526 0.000 1 621 143 143 VAL CB C 32.439 0.000 1 622 143 143 VAL N N 120.704 0.000 1 623 144 144 LEU H H 8.071 0.001 1 624 144 144 LEU C C 176.839 0.000 1 625 144 144 LEU CA C 55.144 0.000 1 626 144 144 LEU CB C 42.345 0.000 1 627 144 144 LEU N N 124.912 0.000 1 628 145 145 PHE C C 175.299 0.000 1 629 146 146 GLN H H 8.131 0.001 1 630 146 146 GLN C C 175.544 0.000 1 631 146 146 GLN CA C 55.552 0.000 1 632 146 146 GLN N N 122.305 0.000 1 633 147 147 GLY H H 7.826 0.001 1 634 147 147 GLY C C 171.596 0.000 1 635 147 147 GLY CA C 44.613 0.000 1 636 147 147 GLY N N 110.051 0.000 1 637 148 148 PRO C C 176.051 0.000 1 638 148 148 PRO CA C 63.194 0.000 1 639 148 148 PRO N N 133.420 0.000 1 640 149 149 LEU H H 8.235 0.001 1 641 149 149 LEU C C 177.307 0.000 1 642 149 149 LEU CA C 55.131 0.000 1 643 149 149 LEU CB C 42.229 0.000 1 644 149 149 LEU N N 121.677 0.000 1 645 156 156 HIS H H 8.150 0.000 1 646 156 156 HIS C C 178.984 0.000 1 647 156 156 HIS CA C 57.197 0.000 1 648 156 156 HIS CB C 29.740 0.000 1 649 156 156 HIS N N 125.265 0.000 1 stop_ save_