data_27290 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; (1)H, (13)C, (15)N resonance assignment of human YAP 50-171 fragment ; _BMRB_accession_number 27290 _BMRB_flat_file_name bmr27290.str _Entry_type original _Submission_date 2017-10-24 _Accession_date 2017-10-24 _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 Feichtinger Michael . . 2 Sara Tomas . . 3 Platzer Gerald . . 4 Mateos Borja . . 5 Bokhovchuk Fedir . . 6 Chene Patrick . . 7 Konrat Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 101 "13C chemical shifts" 274 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-28 update BMRB 'update entry citation' 2018-01-25 original author 'original release' stop_ _Original_release_date 2017-10-24 save_ ############################# # Citation for this entry # ############################# save_Assignment_paper _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, 15N resonance assignment of human YAP 50-171 fragment ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29372459 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feichtinger Michael . . 2 Sara Tomas . . 3 Platzer Gerald . . 4 Mateos Borja . . 5 Bokhovchuk Fedir . . 6 Chene Patrick . . 7 Konrat Robert . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 179 _Page_last 182 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name yap _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human YAP 50-171 fragment' $YAP_50-171 stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_YAP_50-171 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YAP_50-171 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; AGHQIVHVRGDSETDLEALF NAVMNPKTANVPQTVPMRLR KLPDSFFKPPEPKSHSRQAS TDAGTAGALTPQHVRAHSSP ASLQLGAVSPGTLTPTGVVS GPAATPTAQHLRQSSFEIPD DV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 50 ALA 2 51 GLY 3 52 HIS 4 53 GLN 5 54 ILE 6 55 VAL 7 56 HIS 8 57 VAL 9 58 ARG 10 59 GLY 11 60 ASP 12 61 SER 13 62 GLU 14 63 THR 15 64 ASP 16 65 LEU 17 66 GLU 18 67 ALA 19 68 LEU 20 69 PHE 21 70 ASN 22 71 ALA 23 72 VAL 24 73 MET 25 74 ASN 26 75 PRO 27 76 LYS 28 77 THR 29 78 ALA 30 79 ASN 31 80 VAL 32 81 PRO 33 82 GLN 34 83 THR 35 84 VAL 36 85 PRO 37 86 MET 38 87 ARG 39 88 LEU 40 89 ARG 41 90 LYS 42 91 LEU 43 92 PRO 44 93 ASP 45 94 SER 46 95 PHE 47 96 PHE 48 97 LYS 49 98 PRO 50 99 PRO 51 100 GLU 52 101 PRO 53 102 LYS 54 103 SER 55 104 HIS 56 105 SER 57 106 ARG 58 107 GLN 59 108 ALA 60 109 SER 61 110 THR 62 111 ASP 63 112 ALA 64 113 GLY 65 114 THR 66 115 ALA 67 116 GLY 68 117 ALA 69 118 LEU 70 119 THR 71 120 PRO 72 121 GLN 73 122 HIS 74 123 VAL 75 124 ARG 76 125 ALA 77 126 HIS 78 127 SER 79 128 SER 80 129 PRO 81 130 ALA 82 131 SER 83 132 LEU 84 133 GLN 85 134 LEU 86 135 GLY 87 136 ALA 88 137 VAL 89 138 SER 90 139 PRO 91 140 GLY 92 141 THR 93 142 LEU 94 143 THR 95 144 PRO 96 145 THR 97 146 GLY 98 147 VAL 99 148 VAL 100 149 SER 101 150 GLY 102 151 PRO 103 152 ALA 104 153 ALA 105 154 THR 106 155 PRO 107 156 THR 108 157 ALA 109 158 GLN 110 159 HIS 111 160 LEU 112 161 ARG 113 162 GLN 114 163 SER 115 164 SER 116 165 PHE 117 166 GLU 118 167 ILE 119 168 PRO 120 169 ASP 121 170 ASP 122 171 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YAP_50-171 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 $YAP_50-171 'recombinant technology' . Escherichia coli . PETM14 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 $YAP_50-171 0.5 mM '[U-95% 13C; U-90% 15N]' 'sodium chloride' 150 mM 'natural abundance' EDTA 1 mM 'natural abundance' TRIS 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 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 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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCANNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCANNH' _Sample_label $sample_1 save_ save_3D_HN(COCA)NNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)NNH' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 171 . mM pH 6 . 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 HNCACB' '3D HNCO' 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 'human YAP 50-171 fragment' _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 50 1 ALA C C 178.258 0.000 1 2 50 1 ALA CA C 52.717 0.000 1 3 50 1 ALA CB C 19.308 0.000 1 4 50 1 ALA N N 125.274 0.001 1 5 51 2 GLY H H 8.277 0.005 1 6 51 2 GLY C C 173.996 0.000 1 7 51 2 GLY CA C 45.350 0.000 1 8 51 2 GLY N N 108.536 0.009 1 9 52 3 HIS H H 8.224 0.000 1 10 52 3 HIS C C 174.539 0.000 1 11 52 3 HIS N N 119.036 0.000 1 12 53 4 GLN H H 8.375 0.001 1 13 53 4 GLN C C 175.553 0.000 1 14 53 4 GLN CA C 55.896 0.000 1 15 53 4 GLN CB C 29.690 0.000 1 16 53 4 GLN N N 122.567 0.003 1 17 54 5 ILE H H 8.223 0.000 1 18 54 5 ILE C C 175.941 0.000 1 19 54 5 ILE CA C 61.323 0.000 1 20 54 5 ILE CB C 38.479 0.000 1 21 54 5 ILE N N 123.688 0.002 1 22 55 6 VAL H H 8.153 0.001 1 23 55 6 VAL C C 175.617 0.000 1 24 55 6 VAL CA C 62.108 0.000 1 25 55 6 VAL CB C 32.850 0.000 1 26 55 6 VAL N N 125.579 0.005 1 27 56 7 HIS H H 8.551 0.003 1 28 56 7 HIS C C 174.438 0.000 1 29 56 7 HIS CA C 55.444 0.000 1 30 56 7 HIS CB C 29.646 0.000 1 31 56 7 HIS N N 124.425 0.004 1 32 57 8 VAL H H 8.255 0.001 1 33 57 8 VAL C C 175.823 0.000 1 34 57 8 VAL CA C 62.097 0.000 1 35 57 8 VAL CB C 32.920 0.000 1 36 57 8 VAL N N 123.398 0.001 1 37 58 9 ARG H H 8.449 0.001 1 38 58 9 ARG C C 176.760 0.000 1 39 58 9 ARG CA C 56.439 0.000 1 40 58 9 ARG CB C 30.786 0.000 1 41 58 9 ARG N N 125.499 0.002 1 42 59 10 GLY H H 8.499 0.003 1 43 59 10 GLY C C 174.010 0.000 1 44 59 10 GLY CA C 45.292 0.000 1 45 59 10 GLY N N 111.679 0.001 1 46 60 11 ASP H H 8.251 0.000 1 47 60 11 ASP C C 176.558 0.000 1 48 60 11 ASP CA C 54.559 0.000 1 49 60 11 ASP CB C 41.159 0.000 1 50 60 11 ASP N N 121.019 0.001 1 51 61 12 SER H H 8.262 0.001 1 52 61 12 SER C C 174.818 0.000 1 53 61 12 SER CA C 58.830 0.000 1 54 61 12 SER CB C 63.872 0.000 1 55 61 12 SER N N 115.871 0.003 1 56 62 13 GLU H H 8.413 0.003 1 57 62 13 GLU C C 176.921 0.000 1 58 62 13 GLU CA C 57.389 0.000 1 59 62 13 GLU CB C 30.049 0.000 1 60 62 13 GLU N N 123.019 0.007 1 61 63 14 THR H H 8.056 0.001 1 62 63 14 THR C C 174.501 0.000 1 63 63 14 THR CA C 62.589 0.000 1 64 63 14 THR CB C 69.903 0.000 1 65 63 14 THR N N 114.959 0.003 1 66 64 15 ASP H H 8.274 0.002 1 67 64 15 ASP C C 176.713 0.000 1 68 64 15 ASP CA C 54.680 0.000 1 69 64 15 ASP CB C 40.773 0.000 1 70 64 15 ASP N N 123.711 0.001 1 71 65 16 LEU H H 8.137 0.003 1 72 65 16 LEU C C 178.371 0.000 1 73 65 16 LEU CA C 56.440 0.000 1 74 65 16 LEU CB C 42.027 0.000 1 75 65 16 LEU N N 123.332 0.003 1 76 66 17 GLU H H 8.180 0.003 1 77 66 17 GLU C C 177.241 0.000 1 78 66 17 GLU CA C 58.067 0.000 1 79 66 17 GLU CB C 29.543 0.000 1 80 66 17 GLU N N 120.540 0.006 1 81 67 18 ALA H H 7.884 0.002 1 82 67 18 ALA C C 178.628 0.000 1 83 67 18 ALA CA C 53.487 0.000 1 84 67 18 ALA CB C 18.756 0.000 1 85 67 18 ALA N N 123.231 0.004 1 86 68 19 LEU H H 7.810 0.001 1 87 68 19 LEU C C 177.846 0.000 1 88 68 19 LEU CA C 56.281 0.000 1 89 68 19 LEU CB C 42.164 0.000 1 90 68 19 LEU N N 120.205 0.004 1 91 69 20 PHE H H 7.971 0.003 1 92 69 20 PHE C C 176.096 0.000 1 93 69 20 PHE CA C 58.841 0.000 1 94 69 20 PHE CB C 39.167 0.000 1 95 69 20 PHE N N 119.844 0.005 1 96 70 21 ASN H H 8.118 0.001 1 97 70 21 ASN C C 175.122 0.000 1 98 70 21 ASN CA C 53.868 0.000 1 99 70 21 ASN CB C 38.931 0.000 1 100 70 21 ASN N N 119.789 0.004 1 101 71 22 ALA H H 7.946 0.001 1 102 71 22 ALA C C 178.024 0.000 1 103 71 22 ALA CA C 53.194 0.000 1 104 71 22 ALA CB C 19.213 0.000 1 105 71 22 ALA N N 123.943 0.001 1 106 72 23 VAL H H 7.843 0.001 1 107 72 23 VAL C C 176.385 0.000 1 108 72 23 VAL CA C 62.829 0.000 1 109 72 23 VAL CB C 32.600 0.000 1 110 72 23 VAL N N 118.299 0.005 1 111 73 24 MET H H 8.110 0.001 1 112 73 24 MET C C 175.618 0.000 1 113 73 24 MET CA C 55.394 0.000 1 114 73 24 MET CB C 32.622 0.000 1 115 73 24 MET N N 122.622 0.006 1 116 74 25 ASN H H 8.223 0.002 1 117 74 25 ASN CA C 51.433 0.000 1 118 74 25 ASN CB C 38.955 0.000 1 119 74 25 ASN N N 120.990 0.001 1 120 77 28 THR H H 7.873 0.001 1 121 77 28 THR C C 174.240 0.000 1 122 77 28 THR CA C 62.278 0.000 1 123 77 28 THR CB C 69.957 0.000 1 124 77 28 THR N N 114.434 0.004 1 125 78 29 ALA H H 8.129 0.001 1 126 78 29 ALA C C 177.279 0.000 1 127 78 29 ALA CA C 52.624 0.000 1 128 78 29 ALA CB C 19.485 0.000 1 129 78 29 ALA N N 126.404 0.001 1 130 79 30 ASN H H 8.336 0.001 1 131 79 30 ASN CA C 53.121 0.000 1 132 79 30 ASN CB C 38.876 0.000 1 133 79 30 ASN N N 118.583 0.004 1 134 80 31 VAL H H 7.946 0.000 1 135 80 31 VAL CA C 60.084 0.000 1 136 80 31 VAL CB C 32.616 0.000 1 137 80 31 VAL N N 121.983 0.000 1 138 81 32 PRO C C 176.842 0.000 1 139 82 33 GLN H H 8.460 0.002 1 140 82 33 GLN C C 176.204 0.000 1 141 82 33 GLN CA C 55.880 0.000 1 142 82 33 GLN CB C 29.591 0.000 1 143 82 33 GLN N N 121.327 0.004 1 144 83 34 THR H H 8.126 0.001 1 145 83 34 THR CA C 62.037 0.000 1 146 83 34 THR CB C 70.097 0.000 1 147 83 34 THR N N 116.308 0.003 1 148 84 35 VAL H H 8.156 0.009 1 149 84 35 VAL CA C 60.094 0.000 1 150 84 35 VAL CB C 32.665 0.000 1 151 84 35 VAL N N 124.607 0.006 1 152 85 36 PRO C C 176.980 0.000 1 153 86 37 MET H H 8.354 0.004 1 154 86 37 MET C C 176.657 0.000 1 155 86 37 MET CA C 56.417 0.000 1 156 86 37 MET CB C 32.955 0.000 1 157 86 37 MET N N 121.669 0.004 1 158 87 38 ARG H H 8.318 0.001 1 159 87 38 ARG C C 176.121 0.000 1 160 87 38 ARG CA C 56.379 0.000 1 161 87 38 ARG CB C 30.402 0.000 1 162 87 38 ARG N N 121.750 0.002 1 163 88 39 LEU H H 8.085 0.004 1 164 88 39 LEU CA C 55.175 0.000 1 165 88 39 LEU CB C 42.404 0.000 1 166 88 39 LEU N N 122.999 0.004 1 167 89 40 ARG H H 8.041 0.000 1 168 89 40 ARG N N 122.297 0.000 1 169 91 42 LEU H H 8.278 0.001 1 170 91 42 LEU CA C 53.231 0.000 1 171 91 42 LEU CB C 41.462 0.000 1 172 91 42 LEU N N 126.117 0.003 1 173 92 43 PRO C C 176.739 0.000 1 174 93 44 ASP H H 8.362 0.001 1 175 93 44 ASP C C 176.752 0.000 1 176 93 44 ASP CA C 55.112 0.000 1 177 93 44 ASP CB C 41.044 0.000 1 178 93 44 ASP N N 121.060 0.003 1 179 94 45 SER H H 8.075 0.002 1 180 94 45 SER C C 174.331 0.000 1 181 94 45 SER CA C 58.855 0.000 1 182 94 45 SER CB C 63.770 0.000 1 183 94 45 SER N N 115.299 0.001 1 184 95 46 PHE H H 8.051 0.001 1 185 95 46 PHE C C 175.244 0.000 1 186 95 46 PHE CA C 58.217 0.000 1 187 95 46 PHE CB C 39.512 0.000 1 188 95 46 PHE N N 122.139 0.056 1 189 96 47 PHE H H 7.936 0.003 1 190 96 47 PHE CA C 57.777 0.000 1 191 96 47 PHE CB C 39.635 0.000 1 192 96 47 PHE N N 121.635 0.003 1 193 99 50 PRO C C 176.690 0.000 1 194 100 51 GLU H H 8.373 0.003 1 195 100 51 GLU CA C 54.378 0.000 1 196 100 51 GLU CB C 29.730 0.000 1 197 100 51 GLU N N 123.068 0.007 1 198 102 53 LYS C C 176.862 0.000 1 199 103 54 SER H H 8.189 0.001 1 200 103 54 SER CA C 58.278 0.000 1 201 103 54 SER CB C 63.883 0.000 1 202 103 54 SER N N 116.761 0.002 1 203 105 56 SER H H 8.243 0.000 1 204 105 56 SER C C 174.510 0.000 1 205 105 56 SER N N 117.430 0.000 1 206 106 57 ARG H H 8.425 0.001 1 207 106 57 ARG C C 176.300 0.000 1 208 106 57 ARG CA C 56.354 0.000 1 209 106 57 ARG CB C 30.707 0.000 1 210 106 57 ARG N N 123.768 0.007 1 211 107 58 GLN H H 8.343 0.002 1 212 107 58 GLN C C 175.657 0.000 1 213 107 58 GLN CA C 56.191 0.000 1 214 107 58 GLN CB C 29.512 0.000 1 215 107 58 GLN N N 122.400 0.003 1 216 108 59 ALA H H 8.355 0.003 1 217 108 59 ALA C C 177.905 0.000 1 218 108 59 ALA CA C 52.613 0.000 1 219 108 59 ALA CB C 19.453 0.000 1 220 108 59 ALA N N 126.276 0.001 1 221 109 60 SER H H 8.307 0.002 1 222 109 60 SER C C 175.040 0.000 1 223 109 60 SER CA C 58.533 0.000 1 224 109 60 SER CB C 63.880 0.000 1 225 109 60 SER N N 115.859 0.006 1 226 110 61 THR H H 8.136 0.000 1 227 110 61 THR C C 174.436 0.000 1 228 110 61 THR CA C 61.990 0.000 1 229 110 61 THR CB C 69.812 0.000 1 230 110 61 THR N N 115.840 0.002 1 231 111 62 ASP H H 8.230 0.002 1 232 111 62 ASP C C 176.110 0.000 1 233 111 62 ASP CA C 54.479 0.000 1 234 111 62 ASP CB C 41.431 0.000 1 235 111 62 ASP N N 123.233 0.001 1 236 112 63 ALA H H 8.248 0.002 1 237 112 63 ALA C C 178.582 0.000 1 238 112 63 ALA CA C 53.208 0.000 1 239 112 63 ALA CB C 19.067 0.000 1 240 112 63 ALA N N 125.305 0.001 1 241 113 64 GLY H H 8.368 0.001 1 242 113 64 GLY C C 174.772 0.000 1 243 113 64 GLY CA C 45.678 0.000 1 244 113 64 GLY N N 108.248 0.001 1 245 114 65 THR H H 7.939 0.001 1 246 114 65 THR C C 174.782 0.000 1 247 114 65 THR CA C 62.205 0.000 1 248 114 65 THR CB C 70.030 0.000 1 249 114 65 THR N N 114.027 0.001 1 250 115 66 ALA H H 8.298 0.001 1 251 115 66 ALA C C 178.309 0.000 1 252 115 66 ALA CA C 53.183 0.000 1 253 115 66 ALA CB C 18.931 0.000 1 254 115 66 ALA N N 126.886 0.002 1 255 116 67 GLY H H 8.254 0.004 1 256 116 67 GLY C C 173.970 0.000 1 257 116 67 GLY CA C 45.270 0.000 1 258 116 67 GLY N N 108.741 0.004 1 259 117 68 ALA H H 7.974 0.001 1 260 117 68 ALA C C 177.729 0.000 1 261 117 68 ALA CA C 52.568 0.000 1 262 117 68 ALA CB C 19.530 0.000 1 263 117 68 ALA N N 123.952 0.003 1 264 118 69 LEU H H 8.174 0.003 1 265 118 69 LEU C C 177.472 0.000 1 266 118 69 LEU CA C 55.093 0.000 1 267 118 69 LEU CB C 42.324 0.000 1 268 118 69 LEU N N 121.559 0.001 1 269 119 70 THR H H 8.030 0.002 1 270 119 70 THR CA C 60.073 0.000 1 271 119 70 THR CB C 69.730 0.000 1 272 119 70 THR N N 117.581 0.004 1 273 120 71 PRO C C 177.001 0.000 1 274 121 72 GLN H H 8.383 0.001 1 275 121 72 GLN CA C 56.385 0.000 1 276 121 72 GLN CB C 29.383 0.000 1 277 121 72 GLN N N 120.465 0.011 1 278 122 73 HIS H H 8.313 0.000 1 279 122 73 HIS C C 174.859 0.000 1 280 122 73 HIS N N 120.169 0.000 1 281 123 74 VAL H H 8.020 0.000 1 282 123 74 VAL C C 176.111 0.000 1 283 123 74 VAL CA C 62.637 0.000 1 284 123 74 VAL CB C 32.685 0.000 1 285 123 74 VAL N N 122.100 0.001 1 286 124 75 ARG H H 8.346 0.002 1 287 124 75 ARG C C 175.976 0.000 1 288 124 75 ARG CA C 56.334 0.000 1 289 124 75 ARG CB C 30.761 0.000 1 290 124 75 ARG N N 125.460 0.000 1 291 125 76 ALA H H 8.257 0.002 1 292 125 76 ALA CA C 52.631 0.000 1 293 125 76 ALA CB C 19.269 0.000 1 294 125 76 ALA N N 125.903 0.003 1 295 127 78 SER H H 8.208 0.000 1 296 127 78 SER C C 173.987 0.000 1 297 127 78 SER N N 117.589 0.000 1 298 128 79 SER H H 8.377 0.001 1 299 128 79 SER CA C 56.385 0.000 1 300 128 79 SER CB C 63.809 0.000 1 301 128 79 SER N N 119.495 0.007 1 302 129 80 PRO C C 176.973 0.000 1 303 130 81 ALA H H 8.304 0.003 1 304 130 81 ALA C C 178.172 0.000 1 305 130 81 ALA CA C 52.951 0.000 1 306 130 81 ALA CB C 19.158 0.000 1 307 130 81 ALA N N 124.209 0.001 1 308 131 82 SER H H 8.100 0.001 1 309 131 82 SER C C 174.714 0.000 1 310 131 82 SER CA C 58.796 0.000 1 311 131 82 SER CB C 63.801 0.000 1 312 131 82 SER N N 114.943 0.003 1 313 132 83 LEU H H 8.064 0.002 1 314 132 83 LEU C C 177.294 0.000 1 315 132 83 LEU CA C 55.507 0.000 1 316 132 83 LEU CB C 42.602 0.000 1 317 132 83 LEU N N 124.334 0.008 1 318 133 84 GLN H H 8.196 0.003 1 319 133 84 GLN C C 175.934 0.000 1 320 133 84 GLN CA C 55.518 0.000 1 321 133 84 GLN CB C 29.049 0.000 1 322 133 84 GLN N N 121.434 0.008 1 323 134 85 LEU H H 8.176 0.002 1 324 134 85 LEU C C 177.924 0.000 1 325 134 85 LEU CA C 55.746 0.000 1 326 134 85 LEU CB C 42.223 0.000 1 327 134 85 LEU N N 124.028 0.000 1 328 135 86 GLY H H 8.333 0.001 1 329 135 86 GLY C C 173.710 0.000 1 330 135 86 GLY CA C 45.270 0.000 1 331 135 86 GLY N N 110.238 0.005 1 332 136 87 ALA H H 8.002 0.001 1 333 136 87 ALA C C 177.656 0.000 1 334 136 87 ALA CA C 52.598 0.000 1 335 136 87 ALA CB C 19.470 0.000 1 336 136 87 ALA N N 124.219 0.020 1 337 137 88 VAL H H 8.053 0.002 1 338 137 88 VAL C C 176.124 0.000 1 339 137 88 VAL CA C 62.040 0.000 1 340 137 88 VAL CB C 32.992 0.000 1 341 137 88 VAL N N 119.696 0.005 1 342 138 89 SER H H 8.396 0.003 1 343 138 89 SER CA C 56.413 0.000 1 344 138 89 SER CB C 63.426 0.000 1 345 138 89 SER N N 121.630 0.004 1 346 139 90 PRO C C 177.546 0.000 1 347 140 91 GLY H H 8.396 0.001 1 348 140 91 GLY C C 174.356 0.000 1 349 140 91 GLY CA C 45.338 0.000 1 350 140 91 GLY N N 109.626 0.002 1 351 141 92 THR H H 7.902 0.000 1 352 141 92 THR C C 174.397 0.000 1 353 141 92 THR CA C 62.039 0.000 1 354 141 92 THR CB C 70.038 0.000 1 355 141 92 THR N N 114.632 0.002 1 356 142 93 LEU H H 8.265 0.002 1 357 142 93 LEU C C 177.187 0.000 1 358 142 93 LEU CA C 55.171 0.000 1 359 142 93 LEU CB C 42.584 0.000 1 360 142 93 LEU N N 125.425 0.002 1 361 143 94 THR H H 8.135 0.001 1 362 143 94 THR CA C 60.035 0.000 1 363 143 94 THR CB C 69.713 0.000 1 364 143 94 THR N N 118.267 0.005 1 365 144 95 PRO C C 177.235 0.000 1 366 145 96 THR H H 8.140 0.001 1 367 145 96 THR C C 175.180 0.000 1 368 145 96 THR CA C 62.863 0.000 1 369 145 96 THR CB C 69.957 0.000 1 370 145 96 THR N N 113.945 0.003 1 371 146 97 GLY H H 8.271 0.002 1 372 146 97 GLY C C 173.832 0.000 1 373 146 97 GLY CA C 45.338 0.000 1 374 146 97 GLY N N 111.729 0.006 1 375 147 98 VAL H H 7.903 0.001 1 376 147 98 VAL C C 176.274 0.000 1 377 147 98 VAL CA C 62.492 0.000 1 378 147 98 VAL CB C 32.675 0.000 1 379 147 98 VAL N N 120.345 0.001 1 380 148 99 VAL H H 8.269 0.001 1 381 148 99 VAL C C 176.071 0.000 1 382 148 99 VAL CA C 62.250 0.000 1 383 148 99 VAL CB C 32.635 0.000 1 384 148 99 VAL N N 125.195 0.000 1 385 149 100 SER H H 8.346 0.001 1 386 149 100 SER C C 174.401 0.000 1 387 149 100 SER CA C 58.280 0.000 1 388 149 100 SER CB C 64.175 0.000 1 389 149 100 SER N N 120.670 0.004 1 390 150 101 GLY H H 8.199 0.002 1 391 150 101 GLY CA C 44.681 0.000 1 392 150 101 GLY N N 111.491 0.004 1 393 151 102 PRO C C 176.944 0.000 1 394 152 103 ALA H H 8.308 0.000 1 395 152 103 ALA C C 177.487 0.000 1 396 152 103 ALA CA C 52.585 0.000 1 397 152 103 ALA CB C 19.144 0.000 1 398 152 103 ALA N N 124.422 0.000 1 399 153 104 ALA H H 8.159 0.001 1 400 153 104 ALA C C 177.620 0.000 1 401 153 104 ALA CA C 52.292 0.000 1 402 153 104 ALA CB C 19.376 0.000 1 403 153 104 ALA N N 123.809 0.001 1 404 154 105 THR H H 8.053 0.001 1 405 154 105 THR CA C 60.069 0.000 1 406 154 105 THR CB C 69.753 0.000 1 407 154 105 THR N N 116.419 0.001 1 408 155 106 PRO C C 177.266 0.000 1 409 156 107 THR H H 8.126 0.000 1 410 156 107 THR C C 174.575 0.000 1 411 156 107 THR CA C 62.312 0.000 1 412 156 107 THR CB C 70.058 0.000 1 413 156 107 THR N N 114.962 0.001 1 414 157 108 ALA H H 8.230 0.001 1 415 157 108 ALA C C 177.813 0.000 1 416 157 108 ALA CA C 52.632 0.000 1 417 157 108 ALA CB C 18.907 0.000 1 418 157 108 ALA N N 126.597 0.001 1 419 158 109 GLN H H 8.233 0.000 1 420 158 109 GLN C C 176.115 0.000 1 421 158 109 GLN CA C 56.388 0.000 1 422 158 109 GLN CB C 29.517 0.000 1 423 158 109 GLN N N 119.661 0.003 1 424 159 110 HIS H H 8.336 0.000 1 425 159 110 HIS C C 174.782 0.000 1 426 159 110 HIS N N 119.944 0.000 1 427 160 111 LEU H H 8.128 0.002 1 428 160 111 LEU C C 177.308 0.000 1 429 160 111 LEU CA C 55.814 0.000 1 430 160 111 LEU CB C 42.234 0.000 1 431 160 111 LEU N N 123.567 0.004 1 432 161 112 ARG H H 8.269 0.002 1 433 161 112 ARG C C 176.278 0.000 1 434 161 112 ARG CA C 56.354 0.000 1 435 161 112 ARG CB C 30.700 0.000 1 436 161 112 ARG N N 122.315 0.001 1 437 162 113 GLN H H 8.373 0.001 1 438 162 113 GLN C C 176.009 0.000 1 439 162 113 GLN CA C 56.342 0.000 1 440 162 113 GLN CB C 29.517 0.000 1 441 162 113 GLN N N 122.352 0.007 1 442 163 114 SER H H 8.314 0.002 1 443 163 114 SER C C 174.526 0.000 1 444 163 114 SER CA C 58.536 0.000 1 445 163 114 SER CB C 63.868 0.000 1 446 163 114 SER N N 117.556 0.000 1 447 164 115 SER H H 8.220 0.001 1 448 164 115 SER C C 174.000 0.000 1 449 164 115 SER CA C 58.724 0.000 1 450 164 115 SER CB C 63.909 0.000 1 451 164 115 SER N N 118.004 0.002 1 452 165 116 PHE H H 8.049 0.001 1 453 165 116 PHE C C 175.377 0.000 1 454 165 116 PHE CA C 57.718 0.000 1 455 165 116 PHE CB C 39.519 0.000 1 456 165 116 PHE N N 121.703 0.006 1 457 166 117 GLU H H 8.144 0.002 1 458 166 117 GLU C C 175.730 0.000 1 459 166 117 GLU CA C 56.308 0.000 1 460 166 117 GLU CB C 30.407 0.000 1 461 166 117 GLU N N 122.465 0.000 1 462 167 118 ILE H H 8.146 0.001 1 463 167 118 ILE CA C 58.633 0.000 1 464 167 118 ILE CB C 38.819 0.000 1 465 167 118 ILE N N 124.248 0.001 1 466 168 119 PRO C C 176.617 0.000 1 467 169 120 ASP H H 8.296 0.002 1 468 169 120 ASP C C 175.992 0.000 1 469 169 120 ASP CA C 54.596 0.000 1 470 169 120 ASP CB C 41.180 0.000 1 471 169 120 ASP N N 120.983 0.003 1 472 170 121 ASP H H 8.250 0.001 1 473 170 121 ASP CA C 54.685 0.000 1 474 170 121 ASP CB C 41.023 0.000 1 475 170 121 ASP N N 121.216 0.001 1 476 171 122 VAL H H 7.519 0.000 1 477 171 122 VAL N N 123.992 0.000 1 stop_ save_