data_19774 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shifts for the tandem UIMs of wild-type RAP80. ; _BMRB_accession_number 19774 _BMRB_flat_file_name bmr19774.str _Entry_type original _Submission_date 2014-02-06 _Accession_date 2014-02-06 _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 Anamika Anamika . . 2 Markin Craig J. . 3 Rout Manoj K. . 4 Spyracopoulos Leo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 104 "13C chemical shifts" 152 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-04-23 update BMRB 'update entry citation' 2014-02-06 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19773 'E81 deletion mutant from RAP80 tandem UIMs' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Molecular Basis for Impaired DNA Damage Response Function Associated with the RAP80 E81 Defect.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24627472 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Anamika Anamika . . 2 Markin Craig J. . 3 Rout Manoj K. . 4 Spyracopoulos Leo . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _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 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'tandem UIMs of wild-type RAP80' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 7018.751 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; GPLGSRKIAQMTEEEQFALA LKMSEQEAREVNSQEEEEEE LLRKAIAESLNSCRPSDASA TRS ; 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 74 ARG 7 75 LYS 8 76 ILE 9 77 ALA 10 78 GLN 11 79 MET 12 80 THR 13 81 GLU 14 82 GLU 15 83 GLU 16 84 GLN 17 85 PHE 18 86 ALA 19 87 LEU 20 88 ALA 21 89 LEU 22 90 LYS 23 91 MET 24 92 SER 25 93 GLU 26 94 GLN 27 95 GLU 28 96 ALA 29 97 ARG 30 98 GLU 31 99 VAL 32 100 ASN 33 101 SER 34 102 GLN 35 103 GLU 36 104 GLU 37 105 GLU 38 106 GLU 39 107 GLU 40 108 GLU 41 109 LEU 42 110 LEU 43 111 ARG 44 112 LYS 45 113 ALA 46 114 ILE 47 115 ALA 48 116 GLU 49 117 SER 50 118 LEU 51 119 ASN 52 120 SER 53 121 CYS 54 122 ARG 55 123 PRO 56 124 SER 57 125 ASP 58 126 ALA 59 127 SER 60 128 ALA 61 129 THR 62 130 ARG 63 131 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 BMRB 19773 entity 100.00 62 98.41 98.41 1.29e-27 PDB 2MKF "Solution Structure Of The E81 Deletion Mutant Of The Tandem Uims Of Rap80" 100.00 62 98.41 98.41 1.29e-27 PDB 2MKG "Solution Structure Of The Tandem Uims Of Rap80" 100.00 63 100.00 100.00 5.20e-34 PDB 2RR9 "The Solution Structure Of The K63-Ub2:tuims Complex" 73.02 46 100.00 100.00 1.19e-16 GB AAG59851 "XHRIP110 [Homo sapiens]" 84.13 641 100.00 100.00 4.56e-23 GB KFO81465 "BRCA1-A complex subunit RAP80, partial [Cuculus canorus]" 68.25 608 97.67 97.67 1.19e-11 REF XP_006220429 "PREDICTED: LOW QUALITY PROTEIN: ubiquitin interaction motif containing 1 [Vicugna pacos]" 84.13 644 98.11 100.00 2.76e-22 REF XP_007124893 "PREDICTED: BRCA1-A complex subunit RAP80-like, partial [Physeter catodon]" 84.13 369 98.11 100.00 1.63e-23 REF XP_008013593 "PREDICTED: BRCA1-A complex subunit RAP80 isoform X2 [Chlorocebus sabaeus]" 84.13 640 100.00 100.00 4.16e-23 REF XP_008988510 "PREDICTED: BRCA1-A complex subunit RAP80 isoform X2 [Callithrix jacchus]" 84.13 641 100.00 100.00 4.22e-23 REF XP_009566349 "PREDICTED: LOW QUALITY PROTEIN: BRCA1-A complex subunit RAP80 [Cuculus canorus]" 68.25 806 97.67 97.67 1.26e-11 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 _Details $entity 'recombinant technology' . Escherichia coli . pGEX-6P1 'Cloning artifact: residues GPLGS added to N-terminus' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '50 mM TRIS, 150 mM NaCl, 2 mM DTT, pH 7.3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.33 mM '[U-100% 13C; U-100% 15N]' TRIS 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '50 mM TRIS, 150 mM NaCl, 1 mM DTT, pH 7.3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.2 mM '[U-100% 13C; U-100% 15N]' TRIS 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 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_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_2 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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 7.3 . 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 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 internal 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 CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 3 LEU H H 8.704 0.020 1 2 -2 3 LEU HA H 4.345 0.020 1 3 -2 3 LEU C C 178.154 0.3 1 4 -2 3 LEU CA C 55.592 0.3 1 5 -2 3 LEU CB C 42.228 0.3 1 6 -2 3 LEU N N 122.796 0.3 1 7 -1 4 GLY H H 8.548 0.020 1 8 -1 4 GLY HA2 H 3.981 0.020 1 9 -1 4 GLY HA3 H 3.981 0.020 1 10 -1 4 GLY C C 174.468 0.3 1 11 -1 4 GLY CA C 45.323 0.3 1 12 -1 4 GLY N N 110.002 0.3 1 13 74 6 ARG H H 8.310 0.020 1 14 74 6 ARG C C 176.256 0.3 1 15 74 6 ARG N N 120.596 0.3 1 16 75 7 LYS H H 8.447 0.020 1 17 75 7 LYS HA H 4.303 0.020 1 18 75 7 LYS C C 176.826 0.3 1 19 75 7 LYS CA C 56.381 0.3 1 20 75 7 LYS CB C 32.874 0.3 1 21 75 7 LYS N N 123.250 0.3 1 22 76 8 ILE H H 8.315 0.020 1 23 76 8 ILE HA H 4.092 0.020 1 24 76 8 ILE C C 176.311 0.3 1 25 76 8 ILE CA C 61.588 0.3 1 26 76 8 ILE CB C 38.569 0.3 1 27 76 8 ILE N N 123.138 0.3 1 28 77 9 ALA H H 8.446 0.020 1 29 77 9 ALA HA H 4.258 0.020 1 30 77 9 ALA C C 177.642 0.3 1 31 77 9 ALA CA C 52.835 0.3 1 32 77 9 ALA CB C 19.100 0.3 1 33 77 9 ALA N N 127.035 0.3 1 34 78 10 GLN H H 8.323 0.020 1 35 78 10 GLN HA H 4.313 0.020 1 36 78 10 GLN C C 176.025 0.3 1 37 78 10 GLN CA C 55.721 0.3 1 38 78 10 GLN CB C 29.531 0.3 1 39 78 10 GLN N N 119.150 0.3 1 40 79 11 MET H H 8.410 0.020 1 41 79 11 MET HA H 4.619 0.020 1 42 79 11 MET C C 177.080 0.3 1 43 79 11 MET CA C 56.021 0.3 1 44 79 11 MET CB C 34.723 0.3 1 45 79 11 MET N N 122.456 0.3 1 46 80 12 THR H H 8.915 0.020 1 47 80 12 THR HA H 4.390 0.020 1 48 80 12 THR C C 175.463 0.3 1 49 80 12 THR CA C 61.546 0.3 1 50 80 12 THR CB C 70.845 0.3 1 51 80 12 THR N N 115.145 0.3 1 52 81 13 GLU H H 9.076 0.020 1 53 81 13 GLU HA H 4.007 0.020 1 54 81 13 GLU C C 178.734 0.3 1 55 81 13 GLU CA C 59.798 0.3 1 56 81 13 GLU CB C 29.394 0.3 1 57 81 13 GLU N N 122.254 0.3 1 58 82 14 GLU H H 8.839 0.020 1 59 82 14 GLU HA H 4.123 0.020 1 60 82 14 GLU C C 179.545 0.3 1 61 82 14 GLU CA C 59.825 0.3 1 62 82 14 GLU CB C 29.268 0.3 1 63 82 14 GLU N N 119.436 0.3 1 64 83 15 GLU H H 8.029 0.020 1 65 83 15 GLU HA H 4.102 0.020 1 66 83 15 GLU C C 179.440 0.3 1 67 83 15 GLU CA C 58.903 0.3 1 68 83 15 GLU CB C 30.027 0.3 1 69 83 15 GLU N N 121.597 0.3 1 70 84 16 GLN H H 8.575 0.020 1 71 84 16 GLN HA H 4.029 0.020 1 72 84 16 GLN C C 178.689 0.3 1 73 84 16 GLN CA C 59.019 0.3 1 74 84 16 GLN CB C 28.613 0.3 1 75 84 16 GLN N N 120.565 0.3 1 76 85 17 PHE H H 8.483 0.020 1 77 85 17 PHE HA H 4.229 0.020 1 78 85 17 PHE C C 177.713 0.3 1 79 85 17 PHE CA C 60.323 0.3 1 80 85 17 PHE CB C 38.720 0.3 1 81 85 17 PHE N N 121.525 0.3 1 82 86 18 ALA H H 8.072 0.020 1 83 86 18 ALA HA H 4.144 0.020 1 84 86 18 ALA C C 180.283 0.3 1 85 86 18 ALA CA C 54.695 0.3 1 86 86 18 ALA CB C 18.212 0.3 1 87 86 18 ALA N N 121.849 0.3 1 88 87 19 LEU H H 8.010 0.020 1 89 87 19 LEU HA H 4.218 0.020 1 90 87 19 LEU C C 178.387 0.3 1 91 87 19 LEU CA C 57.257 0.3 1 92 87 19 LEU CB C 41.875 0.3 1 93 87 19 LEU N N 120.459 0.3 1 94 88 20 ALA H H 7.981 0.020 1 95 88 20 ALA HA H 4.134 0.020 1 96 88 20 ALA C C 180.241 0.3 1 97 88 20 ALA CA C 54.492 0.3 1 98 88 20 ALA CB C 17.859 0.3 1 99 88 20 ALA N N 122.123 0.3 1 100 89 21 LEU H H 7.897 0.020 1 101 89 21 LEU HA H 4.134 0.020 1 102 89 21 LEU C C 178.981 0.3 1 103 89 21 LEU CA C 57.004 0.3 1 104 89 21 LEU CB C 41.945 0.3 1 105 89 21 LEU N N 119.923 0.3 1 106 90 22 LYS H H 7.913 0.020 1 107 90 22 LYS HA H 4.176 0.020 1 108 90 22 LYS C C 178.799 0.3 1 109 90 22 LYS CA C 58.199 0.3 1 110 90 22 LYS CB C 32.443 0.3 1 111 90 22 LYS N N 120.679 0.3 1 112 91 23 MET H H 8.392 0.020 1 113 91 23 MET HA H 4.366 0.020 1 114 91 23 MET C C 177.925 0.3 1 115 91 23 MET CA C 57.121 0.3 1 116 91 23 MET CB C 32.242 0.3 1 117 91 23 MET N N 118.958 0.3 1 118 92 24 SER H H 8.268 0.020 1 119 92 24 SER HA H 4.376 0.020 1 120 92 24 SER C C 175.910 0.3 1 121 92 24 SER CA C 60.139 0.3 1 122 92 24 SER CB C 63.292 0.3 1 123 92 24 SER N N 116.458 0.3 1 124 93 25 GLU H H 8.255 0.020 1 125 93 25 GLU HA H 4.208 0.020 1 126 93 25 GLU CA C 57.993 0.3 1 127 93 25 GLU CB C 29.786 0.3 1 128 93 25 GLU N N 122.379 0.3 1 129 94 26 GLN C C 177.043 0.3 1 130 94 26 GLN CA C 57.109 0.3 1 131 94 26 GLN CB C 28.971 0.3 1 132 95 27 GLU H H 8.294 0.020 1 133 95 27 GLU HA H 4.166 0.020 1 134 95 27 GLU C C 177.150 0.3 1 135 95 27 GLU CA C 57.579 0.3 1 136 95 27 GLU CB C 29.982 0.3 1 137 95 27 GLU N N 121.162 0.3 1 138 96 28 ALA H H 8.209 0.020 1 139 96 28 ALA HA H 4.313 0.020 1 140 96 28 ALA C C 178.276 0.3 1 141 96 28 ALA CA C 53.182 0.3 1 142 96 28 ALA CB C 18.685 0.3 1 143 96 28 ALA N N 123.599 0.3 1 144 97 29 ARG H H 8.123 0.020 1 145 97 29 ARG HA H 4.292 0.020 1 146 97 29 ARG C C 176.904 0.3 1 147 97 29 ARG CA C 56.702 0.3 1 148 97 29 ARG CB C 30.870 0.3 1 149 97 29 ARG N N 119.759 0.3 1 150 98 30 GLU H H 8.382 0.020 1 151 98 30 GLU HA H 4.260 0.020 1 152 98 30 GLU C C 176.939 0.3 1 153 98 30 GLU CA C 56.950 0.3 1 154 98 30 GLU CB C 30.051 0.3 1 155 98 30 GLU N N 121.995 0.3 1 156 99 31 VAL H H 8.269 0.020 1 157 99 31 VAL HA H 4.071 0.020 1 158 99 31 VAL C C 176.276 0.3 1 159 99 31 VAL CA C 62.936 0.3 1 160 99 31 VAL CB C 32.750 0.3 1 161 99 31 VAL N N 121.412 0.3 1 162 100 32 ASN H H 8.642 0.020 1 163 100 32 ASN HA H 4.819 0.020 1 164 100 32 ASN C C 175.671 0.3 1 165 100 32 ASN CA C 53.425 0.3 1 166 100 32 ASN CB C 39.040 0.3 1 167 100 32 ASN N N 122.455 0.3 1 168 101 33 SER H H 8.548 0.020 1 169 101 33 SER HA H 4.408 0.020 1 170 101 33 SER C C 175.147 0.3 1 171 101 33 SER CA C 59.187 0.3 1 172 101 33 SER CB C 63.672 0.3 1 173 101 33 SER N N 117.265 0.3 1 174 102 34 GLN H H 8.596 0.020 1 175 102 34 GLN HA H 4.292 0.020 1 176 102 34 GLN C C 177.127 0.3 1 177 102 34 GLN CA C 57.385 0.3 1 178 102 34 GLN CB C 28.800 0.3 1 179 102 34 GLN N N 122.686 0.3 1 180 103 35 GLU H H 8.502 0.020 1 181 103 35 GLU HA H 4.176 0.020 1 182 103 35 GLU C C 178.080 0.3 1 183 103 35 GLU CA C 58.301 0.3 1 184 103 35 GLU CB C 29.701 0.3 1 185 103 35 GLU N N 121.071 0.3 1 186 104 36 GLU H H 8.389 0.020 1 187 104 36 GLU C C 178.186 0.3 1 188 104 36 GLU N N 121.073 0.3 1 189 105 37 GLU H H 8.454 0.020 1 190 105 37 GLU C C 178.380 0.3 1 191 105 37 GLU N N 121.561 0.3 1 192 106 38 GLU H H 8.473 0.020 1 193 106 38 GLU C C 178.758 0.3 1 194 106 38 GLU N N 120.852 0.3 1 195 107 39 GLU H H 8.396 0.020 1 196 107 39 GLU C C 178.661 0.3 1 197 107 39 GLU N N 120.445 0.3 1 198 108 40 GLU H H 8.139 0.020 1 199 108 40 GLU C C 178.454 0.3 1 200 108 40 GLU N N 121.089 0.3 1 201 109 41 LEU H H 8.097 0.020 1 202 109 41 LEU HA H 4.113 0.020 1 203 109 41 LEU C C 180.104 0.3 1 204 109 41 LEU CA C 57.910 0.3 1 205 109 41 LEU CB C 41.691 0.3 1 206 109 41 LEU N N 120.552 0.3 1 207 110 42 LEU H H 7.964 0.020 1 208 110 42 LEU HA H 4.239 0.020 1 209 110 42 LEU CA C 57.495 0.3 1 210 110 42 LEU CB C 41.656 0.3 1 211 110 42 LEU N N 121.275 0.3 1 212 112 44 LYS H H 8.279 0.020 1 213 112 44 LYS C C 177.904 0.3 1 214 112 44 LYS N N 120.602 0.3 1 215 113 45 ALA H H 7.992 0.020 1 216 113 45 ALA HA H 4.282 0.020 1 217 113 45 ALA C C 180.557 0.3 1 218 113 45 ALA CA C 54.476 0.3 1 219 113 45 ALA CB C 18.266 0.3 1 220 113 45 ALA N N 122.972 0.3 1 221 114 46 ILE H H 8.231 0.020 1 222 114 46 ILE HA H 3.849 0.020 1 223 114 46 ILE C C 178.314 0.3 1 224 114 46 ILE CA C 63.783 0.3 1 225 114 46 ILE CB C 38.331 0.3 1 226 114 46 ILE N N 120.299 0.3 1 227 115 47 ALA H H 8.087 0.020 1 228 115 47 ALA HA H 4.208 0.020 1 229 115 47 ALA C C 179.824 0.3 1 230 115 47 ALA CA C 54.557 0.3 1 231 115 47 ALA CB C 18.281 0.3 1 232 115 47 ALA N N 124.227 0.3 1 233 116 48 GLU H H 8.322 0.020 1 234 116 48 GLU HA H 4.208 0.020 1 235 116 48 GLU C C 178.142 0.3 1 236 116 48 GLU CA C 57.988 0.3 1 237 116 48 GLU CB C 29.653 0.3 1 238 116 48 GLU N N 118.344 0.3 1 239 117 49 SER H H 8.050 0.020 1 240 117 49 SER HA H 4.380 0.020 1 241 117 49 SER C C 175.595 0.3 1 242 117 49 SER CA C 59.926 0.3 1 243 117 49 SER CB C 63.351 0.3 1 244 117 49 SER N N 115.778 0.3 1 245 118 50 LEU H H 7.984 0.020 1 246 118 50 LEU HA H 4.282 0.020 1 247 118 50 LEU C C 177.998 0.3 1 248 118 50 LEU CA C 56.141 0.3 1 249 118 50 LEU CB C 42.074 0.3 1 250 118 50 LEU N N 122.792 0.3 1 251 119 51 ASN H H 8.199 0.020 1 252 119 51 ASN HA H 4.703 0.020 1 253 119 51 ASN C C 175.640 0.3 1 254 119 51 ASN CA C 53.761 0.3 1 255 119 51 ASN CB C 38.823 0.3 1 256 119 51 ASN N N 118.030 0.3 1 257 120 52 SER H H 8.200 0.020 1 258 120 52 SER HA H 4.473 0.020 1 259 120 52 SER CA C 58.803 0.3 1 260 120 52 SER CB C 63.708 0.3 1 261 120 52 SER N N 115.677 0.3 1 262 123 55 PRO C C 177.186 0.3 1 263 123 55 PRO CA C 63.358 0.3 1 264 123 55 PRO CB C 32.163 0.3 1 265 124 56 SER H H 8.596 0.020 1 266 124 56 SER HA H 4.990 0.020 1 267 124 56 SER C C 174.548 0.3 1 268 124 56 SER CA C 58.600 0.3 1 269 124 56 SER CB C 63.727 0.3 1 270 124 56 SER N N 116.200 0.3 1 271 125 57 ASP H H 8.427 0.020 1 272 125 57 ASP HA H 4.608 0.020 1 273 125 57 ASP C C 176.378 0.3 1 274 125 57 ASP CA C 54.247 0.3 1 275 125 57 ASP CB C 41.080 0.3 1 276 125 57 ASP N N 122.649 0.3 1 277 126 58 ALA H H 8.401 0.020 1 278 126 58 ALA HA H 4.303 0.020 1 279 126 58 ALA C C 178.138 0.3 1 280 126 58 ALA CA C 53.067 0.3 1 281 126 58 ALA CB C 18.919 0.3 1 282 126 58 ALA N N 124.975 0.3 1 283 127 59 SER H H 8.403 0.020 1 284 127 59 SER HA H 4.380 0.020 1 285 127 59 SER C C 174.582 0.3 1 286 127 59 SER CA C 58.826 0.3 1 287 127 59 SER CB C 63.662 0.3 1 288 127 59 SER N N 114.892 0.3 1 289 128 60 ALA H H 8.266 0.020 1 290 128 60 ALA HA H 4.389 0.020 1 291 128 60 ALA C C 177.957 0.3 1 292 128 60 ALA CA C 52.712 0.3 1 293 128 60 ALA CB C 19.244 0.3 1 294 128 60 ALA N N 125.815 0.3 1 295 129 61 THR H H 8.200 0.020 1 296 129 61 THR HA H 4.310 0.020 1 297 129 61 THR C C 174.414 0.3 1 298 129 61 THR CA C 62.010 0.3 1 299 129 61 THR CB C 69.748 0.3 1 300 129 61 THR N N 113.766 0.3 1 301 130 62 ARG H H 8.457 0.020 1 302 130 62 ARG HA H 4.450 0.020 1 303 130 62 ARG C C 175.443 0.3 1 304 130 62 ARG CA C 55.979 0.3 1 305 130 62 ARG CB C 30.903 0.3 1 306 130 62 ARG N N 124.611 0.3 1 307 131 63 SER H H 8.176 0.020 1 308 131 63 SER HA H 3.849 0.020 1 309 131 63 SER CA C 59.999 0.3 1 310 131 63 SER CB C 64.713 0.3 1 311 131 63 SER N N 123.469 0.3 1 stop_ save_