data_19773 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shifts for the E81 deletion mutant from RAP80 tandem UIMs ; _BMRB_accession_number 19773 _BMRB_flat_file_name bmr19773.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" 114 "13C chemical shifts" 113 "15N chemical shifts" 58 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 19774 'tandem UIMs of wild-type RAP80' 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 'E81 deletion mutant from RAP80 tandem UIMs' _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 6889.636 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; GPLGSRKIAQMTEEQFALAL KMSEQEAREVNSQEEEEEEL LRKAIAESLNSCRPSDASAT RS ; 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 82 GLU 14 83 GLU 15 84 GLN 16 85 PHE 17 86 ALA 18 87 LEU 19 88 ALA 20 89 LEU 21 90 LYS 22 91 MET 23 92 SER 24 93 GLU 25 94 GLN 26 95 GLU 27 96 ALA 28 97 ARG 29 98 GLU 30 99 VAL 31 100 ASN 32 101 SER 33 102 GLN 34 103 GLU 35 104 GLU 36 105 GLU 37 106 GLU 38 107 GLU 39 108 GLU 40 109 LEU 41 110 LEU 42 111 ARG 43 112 LYS 44 113 ALA 45 114 ILE 46 115 ALA 47 116 GLU 48 117 SER 49 118 LEU 50 119 ASN 51 120 SER 52 121 CYS 53 122 ARG 54 123 PRO 55 124 SER 56 125 ASP 57 126 ALA 58 127 SER 59 128 ALA 60 129 THR 61 130 ARG 62 131 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-22 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 19774 entity 101.61 63 98.41 98.41 1.93e-27 PDB 2MKF "Solution Structure Of The E81 Deletion Mutant Of The Tandem Uims Of Rap80" 100.00 62 100.00 100.00 1.55e-33 PDB 2MKG "Solution Structure Of The Tandem Uims Of Rap80" 101.61 63 98.41 98.41 1.93e-27 PDB 2RR9 "The Solution Structure Of The K63-Ub2:tuims Complex" 69.35 46 100.00 100.00 2.57e-14 GB AAG59851 "XHRIP110 [Homo sapiens]" 80.65 641 100.00 100.00 5.32e-21 GB ERE80156 "BRCA1-A complex subunit RAP80, partial [Cricetulus griseus]" 61.29 617 97.37 100.00 1.49e-08 REF XP_006220429 "PREDICTED: LOW QUALITY PROTEIN: ubiquitin interaction motif containing 1 [Vicugna pacos]" 80.65 644 98.00 100.00 3.14e-20 REF XP_007124893 "PREDICTED: BRCA1-A complex subunit RAP80-like, partial [Physeter catodon]" 80.65 369 98.00 100.00 2.33e-21 REF XP_008013593 "PREDICTED: BRCA1-A complex subunit RAP80 isoform X2 [Chlorocebus sabaeus]" 80.65 640 100.00 100.00 5.30e-21 REF XP_008988510 "PREDICTED: BRCA1-A complex subunit RAP80 isoform X2 [Callithrix jacchus]" 80.65 641 100.00 100.00 4.92e-21 REF XP_012516199 "PREDICTED: BRCA1-A complex subunit RAP80 isoform X1 [Propithecus coquereli]" 80.65 636 98.00 100.00 2.36e-20 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM .5 1 '[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, 2 mM DTT, pH 7.3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM .5 1 '[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_ ############################ # 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_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_ 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 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_1 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_2 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 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_ save_sample_conditions_2 _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 HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _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 8.698 0.020 1 2 -2 3 LEU HA H 4.278 0.020 1 3 -2 3 LEU CA C 55.285 0.3 1 4 -2 3 LEU CB C 41.838 0.3 1 5 -2 3 LEU N N 122.671 0.3 1 6 -1 4 GLY H H 8.535 0.020 1 7 -1 4 GLY HA2 H 3.899 0.020 1 8 -1 4 GLY HA3 H 3.899 0.020 1 9 -1 4 GLY CA C 45.098 0.3 1 10 -1 4 GLY N N 109.817 0.3 1 11 0 5 SER H H 8.320 0.020 1 12 0 5 SER HA H 4.361 0.020 1 13 0 5 SER CA C 58.330 0.3 1 14 0 5 SER CB C 63.425 0.3 1 15 0 5 SER N N 115.797 0.3 1 16 74 6 ARG H H 8.299 0.020 1 17 74 6 ARG CA C 58.395 0.3 1 18 74 6 ARG CB C 27.468 0.3 1 19 74 6 ARG N N 120.410 0.3 1 20 75 7 LYS H H 8.411 0.020 1 21 75 7 LYS HA H 4.216 0.020 1 22 75 7 LYS CA C 56.371 0.3 1 23 75 7 LYS CB C 32.488 0.3 1 24 75 7 LYS N N 122.983 0.3 1 25 76 8 ILE H H 8.242 0.020 1 26 76 8 ILE HA H 4.059 0.020 1 27 76 8 ILE CA C 61.181 0.3 1 28 76 8 ILE CB C 38.371 0.3 1 29 76 8 ILE N N 122.749 0.3 1 30 77 9 ALA H H 8.463 0.020 1 31 77 9 ALA HA H 4.183 0.020 1 32 77 9 ALA CA C 52.609 0.3 1 33 77 9 ALA CB C 18.812 0.3 1 34 77 9 ALA N N 127.358 0.3 1 35 78 10 GLN H H 8.359 0.020 1 36 78 10 GLN HA H 4.214 0.020 1 37 78 10 GLN CA C 55.596 0.3 1 38 78 10 GLN CB C 29.016 0.3 1 39 78 10 GLN N N 119.077 0.3 1 40 79 11 MET H H 8.360 0.020 1 41 79 11 MET HA H 4.450 0.020 1 42 79 11 MET CA C 55.906 0.3 1 43 79 11 MET CB C 34.019 0.3 1 44 79 11 MET N N 121.781 0.3 1 45 80 12 THR H H 8.444 0.020 1 46 80 12 THR HA H 4.330 0.020 1 47 80 12 THR CA C 61.229 0.3 1 48 80 12 THR CB C 70.232 0.3 1 49 80 12 THR N N 114.156 0.3 1 50 82 13 GLU H H 8.972 0.020 1 51 82 13 GLU HA H 4.100 0.020 1 52 82 13 GLU CA C 59.179 0.3 1 53 82 13 GLU CB C 29.180 0.3 1 54 82 13 GLU N N 121.811 0.3 1 55 83 14 GLU H H 8.776 0.020 1 56 83 14 GLU HA H 4.056 0.020 1 57 83 14 GLU CA C 58.801 0.3 1 58 83 14 GLU CB C 29.315 0.3 1 59 83 14 GLU N N 120.249 0.3 1 60 84 15 GLN H H 8.037 0.020 1 61 84 15 GLN HA H 3.985 0.020 1 62 84 15 GLN CA C 57.908 0.3 1 63 84 15 GLN CB C 28.390 0.3 1 64 84 15 GLN N N 119.958 0.3 1 65 85 16 PHE H H 8.652 0.020 1 66 85 16 PHE HA H 4.305 0.020 1 67 85 16 PHE CA C 60.256 0.3 1 68 85 16 PHE CB C 38.716 0.3 1 69 85 16 PHE N N 121.733 0.3 1 70 86 17 ALA H H 8.209 0.020 1 71 86 17 ALA HA H 4.052 0.020 1 72 86 17 ALA CA C 54.315 0.3 1 73 86 17 ALA CB C 18.074 0.3 1 74 86 17 ALA N N 121.811 0.3 1 75 87 18 LEU H H 7.877 0.020 1 76 87 18 LEU HA H 4.137 0.020 1 77 87 18 LEU CA C 56.826 0.3 1 78 87 18 LEU CB C 41.605 0.3 1 79 87 18 LEU N N 119.780 0.3 1 80 88 19 ALA H H 8.020 0.020 1 81 88 19 ALA HA H 4.052 0.020 1 82 88 19 ALA CA C 54.021 0.3 1 83 88 19 ALA CB C 17.768 0.3 1 84 88 19 ALA N N 122.593 0.3 1 85 89 20 LEU H H 8.021 0.020 1 86 89 20 LEU HA H 4.052 0.020 1 87 89 20 LEU CA C 56.502 0.3 1 88 89 20 LEU CB C 41.538 0.3 1 89 89 20 LEU N N 120.028 0.3 1 90 90 21 LYS H H 7.896 0.020 1 91 90 21 LYS HA H 4.148 0.020 1 92 90 21 LYS CA C 57.557 0.3 1 93 90 21 LYS CB C 32.215 0.3 1 94 90 21 LYS N N 120.483 0.3 1 95 91 22 MET H H 8.320 0.020 1 96 91 22 MET HA H 4.291 0.020 1 97 91 22 MET CA C 56.541 0.3 1 98 91 22 MET N N 119.156 0.3 1 99 92 23 SER H H 8.297 0.020 1 100 92 23 SER HA H 4.291 0.020 1 101 92 23 SER CA C 59.584 0.3 1 102 92 23 SER CB C 63.074 0.3 1 103 92 23 SER N N 116.382 0.3 1 104 93 24 GLU H H 8.313 0.020 1 105 93 24 GLU HA H 4.135 0.020 1 106 93 24 GLU CA C 57.508 0.3 1 107 93 24 GLU CB C 29.613 0.3 1 108 93 24 GLU N N 122.202 0.3 1 109 94 25 GLN H H 8.177 0.020 1 110 94 25 GLN HA H 4.135 0.020 1 111 94 25 GLN CA C 56.877 0.3 1 112 94 25 GLN CB C 28.826 0.3 1 113 94 25 GLN N N 119.546 0.3 1 114 95 26 GLU H H 8.281 0.020 1 115 95 26 GLU HA H 4.066 0.020 1 116 95 26 GLU CA C 57.161 0.3 1 117 95 26 GLU CB C 29.906 0.3 1 118 95 26 GLU N N 121.030 0.3 1 119 96 27 ALA H H 8.242 0.020 1 120 96 27 ALA HA H 4.183 0.020 1 121 96 27 ALA CA C 52.759 0.3 1 122 96 27 ALA CB C 18.405 0.3 1 123 96 27 ALA N N 123.530 0.3 1 124 97 28 ARG H H 8.131 0.020 1 125 97 28 ARG HA H 4.209 0.020 1 126 97 28 ARG CA C 56.469 0.3 1 127 97 28 ARG CB C 30.641 0.3 1 128 97 28 ARG N N 119.624 0.3 1 129 98 29 GLU H H 8.374 0.020 1 130 98 29 GLU HA H 4.177 0.020 1 131 98 29 GLU CA C 56.531 0.3 1 132 98 29 GLU CB C 29.665 0.3 1 133 98 29 GLU N N 121.837 0.3 1 134 99 30 VAL H H 8.261 0.020 1 135 99 30 VAL HA H 3.974 0.020 1 136 99 30 VAL CA C 62.503 0.3 1 137 99 30 VAL CB C 32.457 0.3 1 138 99 30 VAL N N 121.265 0.3 1 139 100 31 ASN H H 8.639 0.020 1 140 100 31 ASN HA H 4.718 0.020 1 141 100 31 ASN CA C 53.117 0.3 1 142 100 31 ASN CB C 38.768 0.3 1 143 100 31 ASN N N 122.280 0.3 1 144 101 32 SER H H 8.542 0.020 1 145 101 32 SER HA H 4.349 0.020 1 146 101 32 SER CA C 58.970 0.3 1 147 101 32 SER CB C 63.397 0.3 1 148 101 32 SER N N 117.046 0.3 1 149 102 33 GLN H H 8.594 0.020 1 150 102 33 GLN HA H 4.203 0.020 1 151 102 33 GLN CA C 57.170 0.3 1 152 102 33 GLN CB C 28.389 0.3 1 153 102 33 GLN N N 122.514 0.3 1 154 103 34 GLU H H 8.496 0.020 1 155 103 34 GLU HA H 4.093 0.020 1 156 103 34 GLU CA C 57.993 0.3 1 157 103 34 GLU CB C 29.489 0.3 1 158 103 34 GLU N N 120.874 0.3 1 159 104 35 GLU H H 8.379 0.020 1 160 104 35 GLU HA H 4.122 0.020 1 161 104 35 GLU CA C 57.847 0.3 1 162 104 35 GLU CB C 29.643 0.3 1 163 104 35 GLU N N 120.874 0.3 1 164 105 36 GLU H H 8.437 0.020 1 165 105 36 GLU HA H 4.121 0.020 1 166 105 36 GLU CA C 58.082 0.3 1 167 105 36 GLU N N 121.421 0.3 1 168 106 37 GLU H H 8.463 0.020 1 169 106 37 GLU HA H 4.004 0.020 1 170 106 37 GLU CA C 58.675 0.3 1 171 106 37 GLU CB C 29.321 0.3 1 172 106 37 GLU N N 120.640 0.3 1 173 107 38 GLU H H 8.385 0.020 1 174 107 38 GLU HA H 4.045 0.020 1 175 107 38 GLU CA C 59.002 0.3 1 176 107 38 GLU CB C 29.036 0.3 1 177 107 38 GLU N N 120.249 0.3 1 178 108 39 GLU H H 8.125 0.020 1 179 108 39 GLU HA H 4.128 0.020 1 180 108 39 GLU CA C 58.402 0.3 1 181 108 39 GLU CB C 28.820 0.3 1 182 108 39 GLU N N 120.902 0.3 1 183 109 40 LEU H H 8.085 0.020 1 184 109 40 LEU HA H 3.994 0.020 1 185 109 40 LEU CA C 57.460 0.3 1 186 109 40 LEU CB C 41.485 0.3 1 187 109 40 LEU N N 120.327 0.3 1 188 110 41 LEU H H 7.948 0.020 1 189 110 41 LEU HA H 4.155 0.020 1 190 110 41 LEU CA C 57.197 0.3 1 191 110 41 LEU CB C 41.472 0.3 1 192 110 41 LEU N N 121.108 0.3 1 193 111 42 ARG H H 8.111 0.020 1 194 111 42 ARG HA H 3.902 0.020 1 195 111 42 ARG CA C 59.013 0.3 1 196 111 42 ARG CB C 29.965 0.3 1 197 111 42 ARG N N 119.390 0.3 1 198 112 43 LYS H H 8.273 0.020 1 199 112 43 LYS HA H 4.059 0.020 1 200 112 43 LYS CA C 58.715 0.3 1 201 112 43 LYS CB C 32.443 0.3 1 202 112 43 LYS N N 120.418 0.3 1 203 113 44 ALA H H 7.978 0.020 1 204 113 44 ALA HA H 4.169 0.020 1 205 113 44 ALA CA C 54.293 0.3 1 206 113 44 ALA CB C 18.053 0.3 1 207 113 44 ALA N N 122.758 0.3 1 208 114 45 ILE H H 8.229 0.020 1 209 114 45 ILE HA H 3.766 0.020 1 210 114 45 ILE CA C 63.420 0.3 1 211 114 45 ILE CB C 38.078 0.3 1 212 114 45 ILE N N 120.171 0.3 1 213 115 46 ALA H H 8.072 0.020 1 214 115 46 ALA HA H 4.107 0.020 1 215 115 46 ALA CA C 54.321 0.3 1 216 115 46 ALA CB C 18.054 0.3 1 217 115 46 ALA N N 123.999 0.3 1 218 116 47 GLU H H 8.313 0.020 1 219 116 47 GLU HA H 4.120 0.020 1 220 116 47 GLU CA C 57.776 0.3 1 221 116 47 GLU CB C 29.311 0.3 1 222 116 47 GLU N N 118.140 0.3 1 223 117 48 SER H H 8.040 0.020 1 224 117 48 SER HA H 4.291 0.020 1 225 117 48 SER CA C 59.647 0.3 1 226 117 48 SER CB C 63.022 0.3 1 227 117 48 SER N N 115.640 0.3 1 228 118 49 LEU H H 7.968 0.020 1 229 118 49 LEU HA H 4.224 0.020 1 230 118 49 LEU CA C 55.875 0.3 1 231 118 49 LEU CB C 41.794 0.3 1 232 118 49 LEU N N 122.593 0.3 1 233 119 50 ASN H H 8.183 0.020 1 234 119 50 ASN HA H 4.634 0.020 1 235 119 50 ASN CA C 53.533 0.3 1 236 119 50 ASN CB C 38.545 0.3 1 237 119 50 ASN N N 117.828 0.3 1 238 120 51 SER H H 8.183 0.020 1 239 120 51 SER HA H 4.332 0.020 1 240 120 51 SER CA C 58.417 0.3 1 241 120 51 SER CB C 63.386 0.3 1 242 120 51 SER N N 115.484 0.3 1 243 121 52 CYS H H 8.450 0.020 1 244 121 52 CYS CA C 55.898 0.3 1 245 121 52 CYS CB C 30.564 0.3 1 246 121 52 CYS N N 123.139 0.3 1 247 124 55 SER H H 8.587 0.020 1 248 124 55 SER HA H 4.311 0.020 1 249 124 55 SER CA C 58.360 0.3 1 250 124 55 SER CB C 63.486 0.3 1 251 124 55 SER N N 116.031 0.3 1 252 125 56 ASP H H 8.424 0.020 1 253 125 56 ASP HA H 4.555 0.020 1 254 125 56 ASP CA C 54.016 0.3 1 255 125 56 ASP CB C 40.864 0.3 1 256 125 56 ASP N N 122.514 0.3 1 257 126 57 ALA H H 8.398 0.020 1 258 126 57 ALA HA H 4.223 0.020 1 259 126 57 ALA CA C 52.755 0.3 1 260 126 57 ALA CB C 18.695 0.3 1 261 126 57 ALA N N 124.858 0.3 1 262 127 58 SER H H 8.398 0.020 1 263 127 58 SER HA H 4.296 0.020 1 264 127 58 SER CA C 58.476 0.3 1 265 127 58 SER CB C 63.408 0.3 1 266 127 58 SER N N 114.781 0.3 1 267 128 59 ALA H H 8.261 0.020 1 268 128 59 ALA HA H 4.286 0.020 1 269 128 59 ALA CA C 52.412 0.3 1 270 128 59 ALA CB C 19.000 0.3 1 271 128 59 ALA N N 125.639 0.3 1 272 129 60 THR H H 8.196 0.020 1 273 129 60 THR HA H 4.223 0.020 1 274 129 60 THR CA C 61.793 0.3 1 275 129 60 THR CB C 69.378 0.3 1 276 129 60 THR N N 113.687 0.3 1 277 130 61 ARG H H 8.450 0.020 1 278 130 61 ARG HA H 4.373 0.020 1 279 130 61 ARG CA C 55.568 0.3 1 280 130 61 ARG CB C 30.647 0.3 1 281 130 61 ARG N N 124.467 0.3 1 282 131 62 SER H H 8.170 0.020 1 283 131 62 SER CA C 59.610 0.3 1 284 131 62 SER CB C 64.344 0.3 1 285 131 62 SER N N 123.296 0.3 1 stop_ save_