data_36115 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of YAP1-2 WW2 domain with LATS1 PPxY motif complex ; _BMRB_accession_number 36115 _BMRB_flat_file_name bmr36115.str _Entry_type original _Submission_date 2017-09-15 _Accession_date 2017-09-15 _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 Fan J. S. . 2 Sivaraman J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 242 "15N chemical shifts" 49 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-21 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 36114 'NMR structure of YAP1-2 WW1 domain with LATS1 PPxY motif complex' stop_ _Original_release_date 2017-10-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Biophysical studies and NMR structure of YAP2 WW domain - LATS1 PPxY motif complexes reveal the basis of their interaction ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29487715 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Verma Apoorva . . 2 Jing-Song Fan . . 3 Finch-Edmondson Megan L. . 4 Velazquez-Campoy Adrian . . 5 Balasegaran Shanker . . 6 Sudol Marius . . 7 Sivaraman Jayaraman . . stop_ _Journal_abbreviation Oncotarget _Journal_name_full Oncotarget _Journal_volume 9 _Journal_issue 8 _Journal_ISSN 1949-2553 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8068 _Page_last 8080 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'WW2 domain and PPxY motif complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 5997.581 _Mol_thiol_state 'not present' _Details 'WW2 domain and PPxY motif complex' ############################## # Polymer residue sequence # ############################## _Residue_count 54 _Mol_residue_sequence ; SGPLPDGWEQAMTQDGEIYY INHKNKTTSWLDPRLDPRGG GGNRQPPPPYPLTA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 8 SER 2 9 GLY 3 10 PRO 4 11 LEU 5 12 PRO 6 13 ASP 7 14 GLY 8 15 TRP 9 16 GLU 10 17 GLN 11 18 ALA 12 19 MET 13 20 THR 14 21 GLN 15 22 ASP 16 23 GLY 17 24 GLU 18 25 ILE 19 26 TYR 20 27 TYR 21 28 ILE 22 29 ASN 23 30 HIS 24 31 LYS 25 32 ASN 26 33 LYS 27 34 THR 28 35 THR 29 36 SER 30 37 TRP 31 38 LEU 32 39 ASP 33 40 PRO 34 41 ARG 35 42 LEU 36 43 ASP 37 44 PRO 38 45 ARG 39 46 GLY 40 47 GLY 41 48 GLY 42 49 GLY 43 50 ASN 44 51 ARG 45 52 GLN 46 53 PRO 47 54 PRO 48 55 PRO 49 56 PRO 50 57 TYR 51 58 PRO 52 59 LEU 53 60 THR 54 61 ALA 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 $entity_1 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 $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.0 mM [U-100% 15N] WW2 domain and PPxY motif complex, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1.00 mM WW2 domain and PPxY motif complex, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.00 mM 'natural abundance' D2O 100 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 100 0.2 mM pH 6.0 0.1 pH pressure 1 0.01 atm temperature 298 0.1 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' 100 0.2 mM pH 6.0 0.1 pH pressure 1 0.01 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 8 1 SER H H 8.133 0.00 1 2 8 1 SER HA H 4.490 0.00 1 3 8 1 SER HB3 H 3.807 0.00 2 4 8 1 SER N N 114.007 0.01 1 5 9 2 GLY H H 8.122 0.00 1 6 9 2 GLY HA3 H 4.092 0.00 2 7 9 2 GLY N N 110.144 0.00 1 8 10 3 PRO HA H 4.461 0.00 1 9 10 3 PRO HB2 H 2.265 0.00 2 10 10 3 PRO HB3 H 1.917 0.00 2 11 10 3 PRO HD2 H 3.571 0.00 2 12 10 3 PRO HD3 H 3.470 0.10 2 13 11 4 LEU H H 8.648 0.00 1 14 11 4 LEU HA H 4.150 0.00 1 15 11 4 LEU HB2 H 1.786 0.01 2 16 11 4 LEU HB3 H 1.366 0.01 2 17 11 4 LEU HD1 H 0.766 0.01 2 18 11 4 LEU HD2 H 1.058 0.00 2 19 11 4 LEU N N 122.191 0.00 1 20 12 5 PRO HA H 4.461 0.00 1 21 12 5 PRO HB2 H 2.417 0.01 2 22 12 5 PRO HB3 H 1.986 0.00 2 23 12 5 PRO HG2 H 1.543 0.00 2 24 12 5 PRO HD2 H 3.365 0.00 2 25 12 5 PRO HD3 H 2.901 0.00 2 26 13 6 ASP H H 8.378 0.00 1 27 13 6 ASP HA H 4.416 0.00 1 28 13 6 ASP HB2 H 2.699 0.00 2 29 13 6 ASP HB3 H 2.589 0.00 2 30 13 6 ASP N N 119.879 0.01 1 31 14 7 GLY H H 8.795 0.00 1 32 14 7 GLY HA2 H 4.209 0.01 2 33 14 7 GLY HA3 H 3.779 0.00 2 34 14 7 GLY N N 112.773 0.01 1 35 15 8 TRP H H 7.910 0.00 1 36 15 8 TRP HA H 5.999 0.00 1 37 15 8 TRP HB2 H 3.283 0.00 2 38 15 8 TRP HB3 H 2.987 0.00 2 39 15 8 TRP HD1 H 7.025 0.00 1 40 15 8 TRP HE1 H 10.329 0.00 1 41 15 8 TRP HE3 H 7.414 0.00 1 42 15 8 TRP HZ2 H 7.475 0.00 1 43 15 8 TRP HZ3 H 6.825 0.00 1 44 15 8 TRP HH2 H 7.179 0.00 1 45 15 8 TRP N N 117.741 0.01 1 46 15 8 TRP NE1 N 108.226 0.01 1 47 16 9 GLU H H 9.519 0.00 1 48 16 9 GLU HA H 4.729 0.01 1 49 16 9 GLU HB2 H 2.068 0.01 2 50 16 9 GLU HB3 H 1.986 0.00 2 51 16 9 GLU HG2 H 2.353 0.00 2 52 16 9 GLU HG3 H 2.217 0.01 2 53 16 9 GLU N N 121.266 0.01 1 54 17 10 GLN H H 8.956 0.00 1 55 17 10 GLN HA H 4.499 0.00 1 56 17 10 GLN HB3 H 1.945 0.01 2 57 17 10 GLN HG3 H 2.125 0.01 2 58 17 10 GLN HE21 H 7.003 0.00 2 59 17 10 GLN HE22 H 7.266 0.00 2 60 17 10 GLN N N 125.626 0.00 1 61 17 10 GLN NE2 N 112.651 0.00 1 62 18 11 ALA H H 8.694 0.00 1 63 18 11 ALA HA H 4.410 0.00 1 64 18 11 ALA HB H 0.465 0.00 1 65 18 11 ALA N N 109.133 0.00 1 66 19 12 MET H H 8.005 0.00 1 67 19 12 MET HA H 5.575 0.00 1 68 19 12 MET HB2 H 1.922 0.00 2 69 19 12 MET HB3 H 1.800 0.00 2 70 19 12 MET HG2 H 2.616 0.00 2 71 19 12 MET HG3 H 2.303 0.00 2 72 19 12 MET N N 116.340 0.00 1 73 20 13 THR H H 9.652 0.00 1 74 20 13 THR HA H 4.658 0.01 1 75 20 13 THR HB H 4.876 0.00 1 76 20 13 THR HG2 H 1.470 0.00 1 77 20 13 THR N N 116.387 0.01 1 78 21 14 GLN H H 7.709 0.00 1 79 21 14 GLN HB3 H 2.146 0.00 2 80 21 14 GLN HE21 H 6.887 0.00 2 81 21 14 GLN HE22 H 7.577 0.00 2 82 21 14 GLN N N 119.386 0.00 1 83 21 14 GLN NE2 N 112.698 0.00 1 84 22 15 ASP H H 7.708 0.00 1 85 22 15 ASP HA H 4.784 0.00 1 86 22 15 ASP HB2 H 2.842 0.00 2 87 22 15 ASP HB3 H 2.560 0.00 2 88 22 15 ASP N N 115.009 0.01 1 89 23 16 GLY H H 7.980 0.00 1 90 23 16 GLY HA2 H 4.168 0.00 2 91 23 16 GLY HA3 H 3.787 0.00 2 92 23 16 GLY N N 108.139 0.01 1 93 24 17 GLU H H 7.709 0.00 1 94 24 17 GLU HA H 4.527 0.00 1 95 24 17 GLU HB3 H 2.222 0.00 2 96 24 17 GLU HG3 H 2.117 0.01 2 97 24 17 GLU N N 119.385 0.00 1 98 25 18 ILE H H 8.678 0.01 1 99 25 18 ILE HA H 4.708 0.00 1 100 25 18 ILE HB H 1.795 0.00 1 101 25 18 ILE HG12 H 1.691 0.00 2 102 25 18 ILE HG13 H 1.163 0.01 2 103 25 18 ILE HG2 H 0.853 0.00 1 104 25 18 ILE HD1 H 0.735 0.00 1 105 25 18 ILE N N 126.271 0.00 1 106 26 19 TYR H H 8.632 0.00 1 107 26 19 TYR HA H 4.838 0.01 1 108 26 19 TYR HB2 H 3.066 0.00 2 109 26 19 TYR HB3 H 2.518 0.00 2 110 26 19 TYR HD1 H 6.780 0.00 3 111 26 19 TYR HE1 H 6.184 0.00 3 112 26 19 TYR N N 123.911 0.01 1 113 27 20 TYR H H 9.037 0.00 1 114 27 20 TYR HA H 5.164 0.00 1 115 27 20 TYR HB2 H 3.176 0.00 2 116 27 20 TYR HB3 H 2.864 0.00 2 117 27 20 TYR HD1 H 6.785 0.00 3 118 27 20 TYR HE1 H 6.719 0.00 3 119 27 20 TYR N N 115.739 0.01 1 120 28 21 ILE H H 9.448 0.00 1 121 28 21 ILE HA H 4.289 0.00 1 122 28 21 ILE HB H 1.382 0.00 1 123 28 21 ILE HG12 H 0.287 0.00 1 124 28 21 ILE HG13 H 0.472 0.00 1 125 28 21 ILE HG2 H 0.287 0.00 1 126 28 21 ILE HD1 H 0.598 0.00 1 127 28 21 ILE N N 122.587 0.01 1 128 29 22 ASN H H 8.622 0.00 1 129 29 22 ASN HA H 3.999 0.01 1 130 29 22 ASN HB2 H 2.470 0.01 2 131 29 22 ASN HB3 H -0.123 0.00 2 132 29 22 ASN HD21 H 6.625 0.00 2 133 29 22 ASN HD22 H 5.816 0.00 2 134 29 22 ASN N N 124.398 0.01 1 135 29 22 ASN ND2 N 109.943 0.01 1 136 30 23 HIS H H 8.827 0.00 1 137 30 23 HIS HA H 4.406 0.00 1 138 30 23 HIS HB2 H 3.137 0.01 2 139 30 23 HIS HB3 H 3.059 0.00 2 140 30 23 HIS HD2 H 6.892 0.01 1 141 30 23 HIS HE1 H 7.651 0.00 1 142 30 23 HIS N N 121.800 0.01 1 143 31 24 LYS H H 8.092 0.00 1 144 31 24 LYS HA H 4.072 0.00 1 145 31 24 LYS HB2 H 1.843 0.00 2 146 31 24 LYS HB3 H 1.689 0.00 2 147 31 24 LYS HG2 H 1.450 0.00 2 148 31 24 LYS HG3 H 1.348 0.01 2 149 31 24 LYS N N 118.428 0.00 1 150 32 25 ASN H H 6.704 0.00 1 151 32 25 ASN HA H 4.583 0.00 1 152 32 25 ASN HB2 H 2.633 0.00 2 153 32 25 ASN HB3 H 2.556 0.00 2 154 32 25 ASN HD21 H 6.651 0.00 2 155 32 25 ASN HD22 H 7.331 0.00 2 156 32 25 ASN N N 113.174 0.01 1 157 32 25 ASN ND2 N 109.460 0.00 1 158 33 26 LYS H H 7.287 0.00 1 159 33 26 LYS HA H 2.587 0.00 1 160 33 26 LYS HB2 H 1.704 0.00 2 161 33 26 LYS HB3 H 0.613 0.01 2 162 33 26 LYS HG2 H 1.325 0.00 2 163 33 26 LYS HG3 H 0.926 0.01 2 164 33 26 LYS N N 115.725 0.01 1 165 34 27 THR H H 7.567 0.00 1 166 34 27 THR HA H 4.824 0.00 1 167 34 27 THR HB H 4.181 0.00 1 168 34 27 THR HG2 H 0.961 0.01 1 169 34 27 THR N N 108.360 0.00 1 170 35 28 THR H H 8.062 0.00 1 171 35 28 THR HA H 5.466 0.00 1 172 35 28 THR HB H 5.237 0.02 1 173 35 28 THR HG2 H 1.180 0.00 1 174 35 28 THR N N 108.855 0.01 1 175 36 29 SER H H 9.363 0.00 1 176 36 29 SER HA H 4.704 0.00 1 177 36 29 SER HB2 H 4.172 0.01 2 178 36 29 SER HB3 H 3.759 0.01 2 179 36 29 SER N N 111.761 0.01 1 180 37 30 TRP H H 9.182 0.01 1 181 37 30 TRP HA H 5.267 0.00 1 182 37 30 TRP HB2 H 3.677 0.00 2 183 37 30 TRP HB3 H 3.082 0.01 2 184 37 30 TRP HD1 H 7.313 0.00 1 185 37 30 TRP HE1 H 10.259 0.00 1 186 37 30 TRP HE3 H 8.233 0.01 1 187 37 30 TRP HZ2 H 7.191 0.01 1 188 37 30 TRP HZ3 H 6.830 0.02 1 189 37 30 TRP HH2 H 7.030 0.01 1 190 37 30 TRP N N 124.947 0.01 1 191 37 30 TRP NE1 N 107.631 0.01 1 192 38 31 LEU H H 8.532 0.00 1 193 38 31 LEU HA H 4.365 0.00 1 194 38 31 LEU HB2 H 1.589 0.02 2 195 38 31 LEU HB3 H 1.390 0.00 2 196 38 31 LEU HD1 H 0.829 0.01 2 197 38 31 LEU HD2 H 0.879 0.00 2 198 38 31 LEU N N 119.449 0.00 1 199 39 32 ASP H H 8.078 0.00 1 200 39 32 ASP HA H 2.778 0.00 1 201 39 32 ASP HB2 H 2.486 0.00 2 202 39 32 ASP HB3 H 2.360 0.00 2 203 39 32 ASP N N 125.499 0.00 1 204 40 33 PRO HB2 H 0.820 0.05 2 205 40 33 PRO HB3 H 0.406 0.01 2 206 40 33 PRO HG2 H 0.583 0.00 2 207 40 33 PRO HG3 H 0.225 0.01 2 208 40 33 PRO HD2 H 2.713 0.00 2 209 40 33 PRO HD3 H 2.450 0.03 2 210 41 34 ARG H H 8.383 0.00 1 211 41 34 ARG HA H 3.863 0.00 1 212 41 34 ARG HB2 H 1.154 0.01 2 213 41 34 ARG HB3 H 1.474 0.00 2 214 41 34 ARG HG2 H 1.832 0.00 2 215 41 34 ARG HG3 H 1.731 0.00 2 216 41 34 ARG HD2 H 2.895 0.01 2 217 41 34 ARG HD3 H 2.794 0.01 2 218 41 34 ARG HE H 8.661 0.00 1 219 41 34 ARG N N 118.759 0.01 1 220 41 34 ARG NE N 106.968 0.00 1 221 42 35 LEU H H 7.240 0.00 1 222 42 35 LEU HA H 4.360 0.00 1 223 42 35 LEU HB2 H 1.619 0.00 2 224 42 35 LEU HB3 H 1.449 0.00 2 225 42 35 LEU HD1 H 0.719 0.01 2 226 42 35 LEU HD2 H 0.880 0.00 2 227 42 35 LEU N N 117.915 0.01 1 228 43 36 ASP H H 8.084 0.00 1 229 43 36 ASP HA H 4.692 0.00 1 230 43 36 ASP HB2 H 2.686 0.01 2 231 43 36 ASP HB3 H 2.495 0.00 2 232 43 36 ASP N N 121.088 0.00 1 233 44 37 PRO HA H 4.354 0.00 1 234 44 37 PRO HB2 H 2.175 0.00 2 235 44 37 PRO HB3 H 1.978 0.00 2 236 45 38 ARG H H 8.366 0.00 1 237 45 38 ARG HA H 4.257 0.00 1 238 45 38 ARG HB2 H 1.784 0.00 2 239 45 38 ARG HB3 H 1.617 0.00 2 240 45 38 ARG HG3 H 1.878 0.00 2 241 45 38 ARG N N 120.556 0.00 1 242 50 43 ASN HA H 4.647 0.00 1 243 50 43 ASN HD21 H 6.659 0.00 2 244 50 43 ASN HD22 H 7.096 0.00 2 245 50 43 ASN ND2 N 112.168 0.00 1 246 51 44 ARG H H 8.167 0.00 1 247 51 44 ARG HA H 4.347 0.00 1 248 51 44 ARG HB2 H 1.724 0.00 2 249 51 44 ARG HB3 H 1.574 0.00 2 250 51 44 ARG HG3 H 1.838 0.00 2 251 51 44 ARG N N 121.405 0.01 1 252 52 45 GLN H H 8.482 0.00 1 253 52 45 GLN HA H 4.594 0.00 1 254 52 45 GLN HB2 H 2.208 0.00 2 255 52 45 GLN HB3 H 2.067 0.00 2 256 52 45 GLN HG3 H 2.505 0.01 2 257 52 45 GLN HE22 H 7.611 0.00 2 258 52 45 GLN N N 122.604 0.01 1 259 52 45 GLN NE2 N 112.625 0.00 1 260 53 46 PRO HA H 4.791 0.00 1 261 54 47 PRO HA H 3.837 0.00 1 262 54 47 PRO HB2 H 0.993 0.01 2 263 54 47 PRO HB3 H 0.201 0.00 2 264 54 47 PRO HD2 H 3.362 0.00 2 265 54 47 PRO HD3 H 2.720 0.01 2 266 56 49 PRO HA H 4.274 0.00 1 267 56 49 PRO HB2 H 2.183 0.00 2 268 57 50 TYR H H 8.614 0.00 1 269 57 50 TYR HA H 3.873 0.00 1 270 57 50 TYR HB2 H 2.508 0.00 2 271 57 50 TYR HB3 H 2.702 0.00 2 272 57 50 TYR HD1 H 6.787 0.00 3 273 57 50 TYR HE1 H 6.528 0.00 3 274 57 50 TYR N N 123.733 0.01 1 275 58 51 PRO HA H 4.210 0.00 1 276 58 51 PRO HB2 H 1.958 0.00 2 277 58 51 PRO HB3 H 1.765 0.00 2 278 58 51 PRO HD3 H 3.230 0.00 2 279 59 52 LEU H H 7.644 0.00 1 280 59 52 LEU HA H 4.404 0.01 1 281 59 52 LEU HB3 H 1.653 0.00 2 282 59 52 LEU HD1 H 0.940 0.01 2 283 59 52 LEU N N 122.856 0.01 1 284 60 53 THR H H 8.041 0.00 1 285 60 53 THR HA H 4.325 0.00 1 286 60 53 THR HB H 4.223 0.00 1 287 60 53 THR HG2 H 1.180 0.00 1 288 60 53 THR N N 114.871 0.02 1 289 61 54 ALA H H 7.916 0.00 1 290 61 54 ALA HB H 1.300 0.00 1 291 61 54 ALA N N 110.015 0.01 1 stop_ save_