data_17538 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the second WW domain from human YAP in complex with a human Smad1 derived peptide ; _BMRB_accession_number 17538 _BMRB_flat_file_name bmr17538.str _Entry_type original _Submission_date 2011-03-22 _Accession_date 2011-03-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Structure of the second WW domain from human YAP (res 230 -263) in complex with a human Smad1 (res 221-233) derived peptide' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Macias Maria J . 2 Aragon Eric . . 3 Goerner Nina . . 4 Zaromytidou Alexia-Ileana . . 5 Xi Qiaoran . . 6 Escobedo Albert . . 7 Massague Joan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 197 "13C chemical shifts" 64 "15N chemical shifts" 30 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-23 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17539 'first WW domain of human YAP in complex with a human Smad1 doubly-phosphorilated derived peptide' 17540 'first domain of human Yap in complex with a human Smad1 derived peptide' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A Smad action turnover switch operated by WW domain readers of a phosphoserine code.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21685363 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aragon Eric . . 2 Goerner Nina . . 3 Zaromytidou Alexia-Ileana . . 4 Xi Qiaoran . . 5 Escobedo Albert . . 6 Massague Joan . . 7 Macias Maria J. . stop_ _Journal_abbreviation 'Genes Dev.' _Journal_name_full 'Genes & development' _Journal_volume 25 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1275 _Page_last 1288 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'second WW domain from human YAP in complex with a human Smad1 derived peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'second WW domain from human YAP' $NEDD4LWW3 'human Smad1 derived peptide' $SMAD3 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_NEDD4LWW3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'second WW domain from human YAP' _Molecular_mass 3979.426 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 38 _Mol_residue_sequence ; GAMEGPLPDGWEQAMTQDGE IYYINHKNKTTSWLDPRL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 226 GLY 2 227 ALA 3 228 MET 4 229 GLU 5 230 GLY 6 231 PRO 7 232 LEU 8 233 PRO 9 234 ASP 10 235 GLY 11 236 TRP 12 237 GLU 13 238 GLN 14 239 ALA 15 240 MET 16 241 THR 17 242 GLN 18 243 ASP 19 244 GLY 20 245 GLU 21 246 ILE 22 247 TYR 23 248 TYR 24 249 ILE 25 250 ASN 26 251 HIS 27 252 LYS 28 253 ASN 29 254 LYS 30 255 THR 31 256 THR 32 257 SER 33 258 TRP 34 259 LEU 35 260 ASP 36 261 PRO 37 262 ARG 38 263 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 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 18498 YAPWW2 89.47 36 100.00 100.00 4.51e-16 PDB 2LAW "Structure Of The Second Ww Domain From Human Yap In Complex With A Human Smad1 Derived Peptide" 100.00 38 100.00 100.00 2.98e-19 PDB 2LTV "Yap Ww2 In Complex With A Smad7 Derived Peptide" 89.47 36 100.00 100.00 4.51e-16 GB ETE73276 "Yorkie-like protein [Ophiophagus hannah]" 89.47 325 97.06 100.00 2.69e-15 REF XP_004709068 "PREDICTED: transcriptional coactivator YAP1 [Echinops telfairi]" 89.47 326 100.00 100.00 6.51e-16 REF XP_005329160 "PREDICTED: transcriptional coactivator YAP1 isoform X4 [Ictidomys tridecemlineatus]" 89.47 326 100.00 100.00 6.99e-16 REF XP_013215694 "PREDICTED: transcriptional coactivator YAP1 isoform X1 [Ictidomys tridecemlineatus]" 89.47 332 100.00 100.00 7.62e-16 REF XP_013215695 "PREDICTED: transcriptional coactivator YAP1 isoform X2 [Ictidomys tridecemlineatus]" 89.47 330 100.00 100.00 7.30e-16 REF XP_013215696 "PREDICTED: transcriptional coactivator YAP1 isoform X3 [Ictidomys tridecemlineatus]" 89.47 328 100.00 100.00 7.45e-16 stop_ save_ save_SMAD3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'human Smad1 derived peptide' _Molecular_mass 1293.435 _Mol_thiol_state 'not present' _Details . _Residue_count 12 _Mol_residue_sequence TPPPAYLPPEDP loop_ _Residue_seq_code _Residue_label 1 THR 2 PRO 3 PRO 4 PRO 5 ALA 6 TYR 7 LEU 8 PRO 9 PRO 10 GLU 11 ASP 12 PRO 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 $NEDD4LWW3 human 9606 Eukaryota Metazoa Homo sapiens $SMAD3 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 $NEDD4LWW3 'recombinant technology' . . . . petM11 $SMAD3 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_H _Saveframe_category sample _Sample_type solution _Details 'Unlabeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NEDD4LWW3 1 mM 'natural abundance' $SMAD3 3 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15N _Saveframe_category sample _Sample_type solution _Details '15N labeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NEDD4LWW3 1 mM '[U-100% 15N]' $SMAD3 3 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15N13C _Saveframe_category sample _Sample_type solution _Details '15N,13C labeled sample' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NEDD4LWW3 1 mM '[U-100% 13C; U-100% 15N]' $SMAD3 3 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $H save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $H save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N13C save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N13C save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 285 . K pH 7 . pH pressure 1 . atm 'ionic strength' 0.420 . M 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a 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-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $H $15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'second WW domain from human YAP' _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 1 230 5 GLY HA3 H 3.926 0.000 2 2 230 5 GLY H H 8.005 0.002 1 3 230 5 GLY CA C 41.884 0.160 1 4 230 5 GLY N N 110.167 0.017 1 5 231 6 PRO HA H 4.260 0.000 1 6 231 6 PRO HB2 H 1.822 0.000 2 7 231 6 PRO HG2 H 2.079 0.000 2 8 231 6 PRO HD2 H 3.370 0.002 2 9 231 6 PRO HD3 H 2.746 0.000 2 10 231 6 PRO CA C 60.170 0.000 1 11 231 6 PRO CB C 29.650 0.000 1 12 232 7 LEU HA H 3.962 0.004 1 13 232 7 LEU HB2 H 1.585 0.000 2 14 232 7 LEU HG H 1.165 0.000 1 15 232 7 LEU HD1 H 0.860 0.000 1 16 232 7 LEU HD2 H 0.561 0.000 1 17 232 7 LEU H H 8.585 0.000 1 18 232 7 LEU CA C 51.060 0.004 1 19 232 7 LEU CB C 38.370 0.000 1 20 232 7 LEU N N 122.542 0.000 1 21 233 8 PRO HA H 4.288 0.000 1 22 233 8 PRO HB2 H 2.231 0.000 1 23 233 8 PRO HB3 H 1.796 0.000 2 24 233 8 PRO HG2 H 1.580 0.000 2 25 233 8 PRO HG3 H 1.381 0.000 2 26 233 8 PRO HD2 H 3.192 0.000 2 27 233 8 PRO HD3 H 2.756 0.000 2 28 233 8 PRO CA C 59.649 0.000 1 29 233 8 PRO CB C 28.869 0.000 1 30 234 9 ASP HA H 4.198 0.001 1 31 234 9 ASP HB2 H 2.509 0.000 1 32 234 9 ASP HB3 H 2.391 0.000 1 33 234 9 ASP H H 8.296 0.000 1 34 234 9 ASP CA C 53.826 0.000 1 35 234 9 ASP CB C 38.794 0.000 1 36 234 9 ASP N N 119.934 0.000 1 37 235 10 GLY HA2 H 3.502 0.000 2 38 235 10 GLY HA3 H 3.957 0.003 2 39 235 10 GLY H H 8.645 0.006 1 40 235 10 GLY CA C 42.827 0.000 1 41 235 10 GLY N N 112.914 0.000 1 42 236 11 TRP HA H 5.602 0.003 1 43 236 11 TRP HB2 H 3.087 0.000 2 44 236 11 TRP HB3 H 2.784 0.005 2 45 236 11 TRP HD1 H 6.820 0.001 1 46 236 11 TRP HE1 H 10.256 0.000 1 47 236 11 TRP HE3 H 7.187 0.001 1 48 236 11 TRP HZ2 H 7.285 0.000 1 49 236 11 TRP HZ3 H 6.594 0.000 1 50 236 11 TRP HH2 H 6.920 0.000 1 51 236 11 TRP H H 7.717 0.000 1 52 236 11 TRP CA C 53.630 0.051 1 53 236 11 TRP CB C 29.455 0.142 1 54 236 11 TRP N N 117.959 0.000 1 55 237 12 GLU HA H 4.557 0.000 1 56 237 12 GLU HB2 H 1.708 0.000 2 57 237 12 GLU HB3 H 0.858 0.000 2 58 237 12 GLU HG2 H 2.068 0.000 2 59 237 12 GLU HG3 H 1.830 0.000 2 60 237 12 GLU H H 9.347 0.000 1 61 237 12 GLU CA C 52.556 0.000 1 62 237 12 GLU CB C 32.156 0.000 1 63 237 12 GLU N N 121.108 0.000 1 64 238 13 GLN HA H 4.320 0.006 1 65 238 13 GLN HB2 H 1.792 0.000 2 66 238 13 GLN HB3 H 1.724 0.000 2 67 238 13 GLN HG2 H 1.943 0.000 2 68 238 13 GLN HG3 H 1.908 0.000 2 69 238 13 GLN HE21 H 7.130 0.000 1 70 238 13 GLN HE22 H 6.887 0.000 1 71 238 13 GLN H H 8.818 0.000 1 72 238 13 GLN CA C 53.077 0.000 1 73 238 13 GLN CB C 28.414 0.003 1 74 238 13 GLN N N 125.179 0.000 1 75 239 14 ALA HA H 4.191 0.002 1 76 239 14 ALA HB H 0.276 0.000 1 77 239 14 ALA H H 8.546 0.000 1 78 239 14 ALA CA C 48.196 0.001 1 79 239 14 ALA CB C 19.629 0.000 1 80 239 14 ALA N N 131.427 0.000 1 81 240 15 MET HA H 5.348 0.000 1 82 240 15 MET HB2 H 1.706 0.000 1 83 240 15 MET HB3 H 1.587 0.000 1 84 240 15 MET HG2 H 2.415 0.000 2 85 240 15 MET HG3 H 2.076 0.000 2 86 240 15 MET HE H 2.403 0.000 1 87 240 15 MET H H 7.887 0.058 1 88 240 15 MET CA C 51.450 0.000 1 89 240 15 MET CB C 34.270 0.000 1 90 240 15 MET N N 116.730 0.000 1 91 241 16 THR HA H 4.488 0.001 1 92 241 16 THR HB H 4.694 0.000 1 93 241 16 THR HG1 H 6.775 0.000 1 94 241 16 THR HG2 H 1.291 0.000 1 95 241 16 THR H H 9.457 0.000 1 96 241 16 THR CA C 58.608 0.004 1 97 241 16 THR CB C 69.346 0.000 1 98 241 16 THR N N 116.448 0.000 1 99 242 17 GLN HA H 3.964 0.000 1 100 242 17 GLN HB2 H 2.044 0.000 2 101 242 17 GLN HB3 H 1.950 0.000 2 102 242 17 GLN HG2 H 2.380 0.001 2 103 242 17 GLN HG3 H 2.234 0.000 2 104 242 17 GLN HE21 H 7.506 0.000 1 105 242 17 GLN HE22 H 6.732 0.000 1 106 242 17 GLN H H 9.451 0.000 1 107 242 17 GLN CA C 55.940 0.000 1 108 242 17 GLN CB C 25.550 0.000 1 109 243 18 ASP HA H 4.610 0.000 1 110 243 18 ASP HB2 H 2.651 0.000 2 111 243 18 ASP HB3 H 2.329 0.000 2 112 243 18 ASP H H 7.491 0.000 1 113 243 18 ASP CA C 51.385 0.000 1 114 243 18 ASP CB C 38.467 0.000 1 115 243 18 ASP N N 115.321 0.000 1 116 244 19 GLY HA2 H 3.593 0.000 1 117 244 19 GLY HA3 H 3.965 0.000 1 118 244 19 GLY H H 7.822 0.000 1 119 244 19 GLY CA C 43.446 0.000 1 120 244 19 GLY N N 108.485 0.002 1 121 245 20 GLU HA H 4.299 0.000 1 122 245 20 GLU HB2 H 2.031 0.000 2 123 245 20 GLU HB3 H 1.731 0.000 1 124 245 20 GLU HG2 H 2.397 0.001 1 125 245 20 GLU H H 7.542 0.000 1 126 245 20 GLU CA C 52.979 0.000 1 127 245 20 GLU CB C 27.763 0.000 1 128 245 20 GLU N N 119.367 0.000 1 129 246 21 ILE HA H 4.436 0.000 1 130 246 21 ILE HB H 1.564 0.000 1 131 246 21 ILE HG12 H 0.874 0.000 2 132 246 21 ILE HG13 H 0.915 0.000 2 133 246 21 ILE HG2 H 0.472 0.000 1 134 246 21 ILE HD1 H 0.630 0.000 1 135 246 21 ILE H H 8.546 0.000 1 136 246 21 ILE CA C 58.934 0.007 1 137 246 21 ILE CB C 35.994 0.000 1 138 246 21 ILE N N 126.460 0.000 1 139 247 22 TYR HA H 4.321 0.000 1 140 247 22 TYR HD2 H 6.069 0.000 1 141 247 22 TYR HE2 H 6.514 0.000 1 142 247 22 TYR H H 8.340 0.003 1 143 247 22 TYR CA C 53.467 0.000 1 144 247 22 TYR CB C 37.231 0.039 1 145 247 22 TYR N N 123.977 0.000 1 146 248 23 TYR HA H 5.008 0.007 1 147 248 23 TYR HB2 H 2.923 0.000 2 148 248 23 TYR HB3 H 2.627 0.000 2 149 248 23 TYR HD2 H 6.572 0.000 1 150 248 23 TYR HE2 H 6.474 0.000 1 151 248 23 TYR H H 8.737 0.000 1 152 248 23 TYR CA C 54.736 0.000 1 153 248 23 TYR CB C 39.607 0.000 1 154 248 23 TYR N N 115.680 0.002 1 155 249 24 ILE HA H 4.209 0.002 1 156 249 24 ILE HB H 1.837 0.000 1 157 249 24 ILE HG12 H 1.181 0.000 2 158 249 24 ILE HG13 H 1.008 0.000 2 159 249 24 ILE HG2 H 0.391 0.000 1 160 249 24 ILE HD1 H 0.166 0.000 1 161 249 24 ILE H H 9.236 0.000 1 162 249 24 ILE CA C 58.023 0.000 1 163 249 24 ILE CB C 40.322 0.001 1 164 249 24 ILE N N 122.209 0.000 1 165 250 25 ASN HA H 3.945 0.000 1 166 250 25 ASN HB2 H 2.166 0.000 2 167 250 25 ASN HB3 H -0.458 0.000 2 168 250 25 ASN HD21 H 6.418 0.000 2 169 250 25 ASN HD22 H 5.017 0.000 2 170 250 25 ASN H H 8.279 0.000 1 171 250 25 ASN CA C 47.871 0.000 1 172 250 25 ASN CB C 33.815 0.000 1 173 250 25 ASN N N 124.734 0.000 1 174 251 26 HIS HA H 4.051 0.041 1 175 251 26 HIS HB2 H 2.851 0.001 1 176 251 26 HIS HD1 H 6.695 0.005 1 177 251 26 HIS HE1 H 7.545 0.000 1 178 251 26 HIS H H 8.478 0.000 1 179 251 26 HIS CA C 56.493 0.001 1 180 251 26 HIS CB C 28.317 0.038 1 181 251 26 HIS N N 121.953 0.000 1 182 252 27 LYS HA H 3.841 0.019 1 183 252 27 LYS HB2 H 1.624 0.000 2 184 252 27 LYS HB3 H 1.480 0.002 2 185 252 27 LYS HG2 H 1.213 0.000 2 186 252 27 LYS HG3 H 1.117 0.056 2 187 252 27 LYS HD2 H 2.402 0.000 2 188 252 27 LYS HD3 H 2.163 0.000 2 189 252 27 LYS H H 7.924 0.000 1 190 252 27 LYS CA C 56.786 0.000 1 191 252 27 LYS CB C 28.642 0.001 1 192 252 27 LYS N N 118.804 0.000 1 193 253 28 ASN HA H 4.400 0.002 1 194 253 28 ASN HB2 H 2.381 0.000 2 195 253 28 ASN HB3 H 2.197 0.000 2 196 253 28 ASN HD21 H 6.789 0.000 2 197 253 28 ASN H H 6.562 0.003 1 198 253 28 ASN CA C 48.814 0.017 1 199 253 28 ASN CB C 35.962 0.160 1 200 253 28 ASN N N 113.401 0.000 1 201 254 29 LYS HA H 2.672 0.002 1 202 254 29 LYS HB2 H 1.597 0.000 2 203 254 29 LYS HB3 H 1.427 0.000 2 204 254 29 LYS HG2 H 1.264 0.004 2 205 254 29 LYS HG3 H 1.153 0.004 2 206 254 29 LYS HD2 H 2.727 0.000 2 207 254 29 LYS H H 7.091 0.000 1 208 254 29 LYS CA C 53.956 0.000 1 209 254 29 LYS N N 116.448 0.000 1 210 255 30 THR HA H 4.575 0.000 1 211 255 30 THR HB H 3.951 0.000 1 212 255 30 THR HG2 H 0.793 0.000 1 213 255 30 THR H H 7.314 0.000 1 214 255 30 THR CA C 57.242 0.000 1 215 255 30 THR CB C 70.647 0.000 1 216 255 30 THR N N 108.459 0.000 1 217 256 31 THR HA H 5.236 0.000 1 218 256 31 THR HB H 3.953 0.000 1 219 256 31 THR HG2 H 0.934 0.000 1 220 256 31 THR H H 7.919 0.000 1 221 256 31 THR CA C 56.624 0.000 1 222 256 31 THR CB C 69.898 0.000 1 223 256 31 THR N N 109.143 0.000 1 224 257 32 SER HA H 4.549 0.000 1 225 257 32 SER HB2 H 3.875 0.000 1 226 257 32 SER HB3 H 3.494 0.000 1 227 257 32 SER H H 9.221 0.000 1 228 257 32 SER CA C 54.410 0.001 1 229 257 32 SER CB C 63.098 0.000 1 230 257 32 SER N N 111.967 0.000 1 231 258 33 TRP HA H 4.955 0.000 1 232 258 33 TRP HB2 H 3.502 0.000 1 233 258 33 TRP HB3 H 2.902 0.051 2 234 258 33 TRP HD1 H 7.144 0.003 1 235 258 33 TRP HE1 H 9.845 0.000 1 236 258 33 TRP HE3 H 7.939 0.142 1 237 258 33 TRP HZ2 H 6.955 0.001 1 238 258 33 TRP HZ3 H 6.683 0.005 1 239 258 33 TRP HH2 H 6.653 0.001 1 240 258 33 TRP H H 9.053 0.000 1 241 258 33 TRP CA C 55.582 0.003 1 242 258 33 TRP CB C 28.739 0.000 1 243 258 33 TRP N N 125.179 0.006 1 244 259 34 LEU HA H 4.241 0.000 1 245 259 34 LEU HB2 H 1.406 0.000 2 246 259 34 LEU HB3 H 1.334 0.000 2 247 259 34 LEU HG H 0.925 0.000 1 248 259 34 LEU HD1 H 0.702 0.000 1 249 259 34 LEU HD2 H 0.646 0.000 1 250 259 34 LEU H H 7.815 0.000 1 251 259 34 LEU CA C 51.645 0.000 1 252 259 34 LEU CB C 39.834 0.000 1 253 259 34 LEU N N 119.679 0.000 1 254 260 35 ASP HA H 2.744 0.000 1 255 260 35 ASP HB2 H 2.350 0.000 2 256 260 35 ASP HB3 H 2.203 0.006 2 257 260 35 ASP H H 7.976 0.000 1 258 260 35 ASP CA C 48.001 0.000 1 259 260 35 ASP CB C 38.761 0.000 1 260 260 35 ASP N N 125.068 0.000 1 261 261 36 PRO HA H 3.642 0.000 1 262 261 36 PRO HB2 H 0.526 0.000 2 263 261 36 PRO HB3 H 0.380 0.000 2 264 261 36 PRO HG2 H 0.340 0.000 2 265 261 36 PRO HG3 H 0.100 0.000 2 266 261 36 PRO HD2 H 2.439 0.000 2 267 261 36 PRO HD3 H 2.348 0.000 2 268 261 36 PRO CA C 60.300 0.003 1 269 261 36 PRO CB C 27.893 0.000 1 270 262 37 ARG HA H 3.624 0.000 1 271 262 37 ARG HB2 H 1.310 0.058 2 272 262 37 ARG HB3 H 1.021 0.000 2 273 262 37 ARG HG2 H 1.599 0.000 1 274 262 37 ARG HG3 H 1.524 0.000 1 275 262 37 ARG HD2 H 2.663 0.000 1 276 262 37 ARG HD3 H 2.625 0.000 1 277 262 37 ARG HE H 8.337 0.000 1 278 262 37 ARG H H 8.149 0.002 1 279 262 37 ARG CA C 54.964 0.000 1 280 262 37 ARG CB C 27.274 0.000 1 281 262 37 ARG N N 119.005 0.001 1 282 263 38 LEU HA H 3.990 0.000 1 283 263 38 LEU HB2 H 1.245 0.001 2 284 263 38 LEU HB3 H 1.160 0.000 2 285 263 38 LEU HG H 1.042 0.000 1 286 263 38 LEU HD1 H 0.690 0.000 1 287 263 38 LEU HD2 H 0.523 0.000 1 288 263 38 LEU H H 7.055 0.000 1 289 263 38 LEU CA C 51.938 0.000 1 290 263 38 LEU CB C 39.118 0.004 1 291 263 38 LEU N N 117.575 0.000 1 stop_ save_