data_11412 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assigned chemical shifts of RNA binding domain in human Tra2 beta protein in complex with RNA (UCAAU) ; _BMRB_accession_number 11412 _BMRB_flat_file_name bmr11412.str _Entry_type original _Submission_date 2010-09-09 _Accession_date 2010-09-09 _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 Tsuda K. . . 2 Kuwasako K. . . 3 Takahashi M. . . 4 Someya T. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Terada T. . . 8 Shirouzu M. . . 9 Sugano S. . . 10 Muto Y. . . 11 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 78 "15N chemical shifts" 78 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-08 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11409 'Assigned chemical shifts of RNA binding domain in human Tra2 beta protein in complex with RNA (GAAGAA)' 11410 'Assigned chemical shifts of RNA binding domain in human Tra2 beta protein in complex with RNA (GACUUCAACAAGUC)' 11411 'Assigned chemical shifts of RNA binding domain in human Tra2 beta protein in complex with RNA (AAAAAA)' stop_ _Original_release_date 2011-09-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of RNA binding domain in human Tra2 beta protein in complex with RNA (GAAGAA) ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tsuda K. . . 2 Kuwasako K. . . 3 Someya T. . . 4 Takahashi M. . . 5 He F. . . 6 Inoue M. . . 7 Harada T. . . 8 Watanabe S. . . 9 Terada T. . . 10 Kobayashi N. . . 11 Shirouzu M. . . 12 Kigawa T. . . 13 Tanaka A. . . 14 Sugano S. . . 15 Guntert P. . . 16 Yokoyama S. . . 17 Muto Y. . . stop_ _Journal_abbreviation . _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ; cDNA FLJ40872 fis, clone TUTER2000283, highly similar to Homo sapiens transformer-2-beta (SFRS10) gene ; _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA recognition motif' $entity_1 RNA $entity_2 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RNA recognition motif' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; GSSGSSGNRANPDPNCCLGV FGLSLYTTERDLREVFSKYG PIADVSIVYDQQSRRSRGFA FVYFENVDDAKEAKERANGM ELDGRRIRVDFSITKRPHT ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASN 9 ARG 10 ALA 11 ASN 12 PRO 13 ASP 14 PRO 15 ASN 16 CYS 17 CYS 18 LEU 19 GLY 20 VAL 21 PHE 22 GLY 23 LEU 24 SER 25 LEU 26 TYR 27 THR 28 THR 29 GLU 30 ARG 31 ASP 32 LEU 33 ARG 34 GLU 35 VAL 36 PHE 37 SER 38 LYS 39 TYR 40 GLY 41 PRO 42 ILE 43 ALA 44 ASP 45 VAL 46 SER 47 ILE 48 VAL 49 TYR 50 ASP 51 GLN 52 GLN 53 SER 54 ARG 55 ARG 56 SER 57 ARG 58 GLY 59 PHE 60 ALA 61 PHE 62 VAL 63 TYR 64 PHE 65 GLU 66 ASN 67 VAL 68 ASP 69 ASP 70 ALA 71 LYS 72 GLU 73 ALA 74 LYS 75 GLU 76 ARG 77 ALA 78 ASN 79 GLY 80 MET 81 GLU 82 LEU 83 ASP 84 GLY 85 ARG 86 ARG 87 ILE 88 ARG 89 VAL 90 ASP 91 PHE 92 SER 93 ILE 94 THR 95 LYS 96 ARG 97 PRO 98 HIS 99 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 11400 "RNA recognition motif" 89.90 95 100.00 100.00 7.38e-57 BMRB 11409 "RNA recognition motif" 100.00 99 100.00 100.00 2.32e-65 BMRB 11410 "RNA recognition motif" 100.00 99 100.00 100.00 2.32e-65 BMRB 11411 "RNA recognition motif" 100.00 99 100.00 100.00 2.32e-65 BMRB 16920 Tra2beta1 92.93 95 100.00 100.00 2.06e-60 PDB 2CQC "Solution Structure Of The Rna Recognition Motif In ArginineSERINE-Rich Splicing Factor 10" 89.90 95 100.00 100.00 7.38e-57 PDB 2KXN "Nmr Structure Of Human Tra2beta1 Rrm In Complex With Aagaac Rna" 92.93 129 100.00 100.00 2.77e-61 PDB 2RRA "Solution Structure Of Rna Binding Domain In Human Tra2 Beta Protein In Complex With Rna (Gaagaa)" 100.00 99 100.00 100.00 2.32e-65 DBJ BAA08556 "RNA binding protein (transformer-2-like) [Rattus norvegicus]" 93.94 288 100.00 100.00 4.68e-61 DBJ BAC05256 "unnamed protein product [Homo sapiens]" 93.94 252 100.00 100.00 1.31e-60 DBJ BAC33819 "unnamed protein product [Mus musculus]" 93.94 288 100.00 100.00 4.68e-61 DBJ BAD92445 "splicing factor, arginine/serine-rich 10 (transformer 2 homolog, Drosophila) variant [Homo sapiens]" 93.94 278 100.00 100.00 7.05e-61 DBJ BAE88784 "unnamed protein product [Macaca fascicularis]" 93.94 288 100.00 100.00 6.75e-61 EMBL CAA56518 "SIG41 [Mus musculus]" 93.94 288 100.00 100.00 4.68e-61 EMBL CAH18071 "hypothetical protein [Homo sapiens]" 93.94 276 100.00 100.00 4.61e-61 EMBL CAH90742 "hypothetical protein [Pongo abelii]" 93.94 288 98.92 98.92 5.98e-60 GB AAB08701 "transformer-2 beta [Homo sapiens]" 93.94 288 100.00 100.00 4.68e-61 GB AAC28242 "htra2-beta [Homo sapiens]" 93.94 288 100.00 100.00 4.68e-61 GB AAD19277 "transformer-2-beta isoform 1 [Homo sapiens]" 93.94 288 100.00 100.00 4.68e-61 GB AAD19278 "transformer-2-beta isoform 3 [Homo sapiens]" 93.94 188 100.00 100.00 3.95e-60 GB AAG35783 "transformer-2 beta [Gallus gallus]" 93.94 289 98.92 100.00 2.82e-60 REF NP_001006878 "transformer-2 protein homolog beta [Xenopus (Silurana) tropicalis]" 93.94 293 97.85 100.00 2.89e-60 REF NP_001029948 "transformer-2 protein homolog beta [Bos taurus]" 93.94 288 100.00 100.00 4.68e-61 REF NP_001070689 "transformer-2 protein homolog beta [Sus scrofa]" 93.94 288 100.00 100.00 4.68e-61 REF NP_001125414 "transformer-2 protein homolog beta [Pongo abelii]" 93.94 288 98.92 98.92 5.98e-60 REF NP_001230808 "transformer-2 protein homolog beta isoform 2 [Homo sapiens]" 93.94 188 100.00 100.00 3.95e-60 SP P62995 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; Short=hTRA2-beta; AltName: Full=Splicing f" 93.94 288 100.00 100.00 4.68e-61 SP P62996 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Silica-induced gene 41 prote" 93.94 288 100.00 100.00 4.68e-61 SP P62997 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=RA301; AltName: Full=Splicin" 93.94 288 100.00 100.00 4.68e-61 SP Q3ZBT6 "RecName: Full=Transformer-2 protein homolog beta; Short=TRA-2 beta; Short=TRA2-beta; AltName: Full=Splicing factor, arginine/se" 93.94 288 100.00 100.00 4.68e-61 TPG DAA33375 "TPA: transformer-2 protein homolog beta [Bos taurus]" 93.94 288 100.00 100.00 4.68e-61 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 6 _Mol_residue_sequence UCAAU loop_ _Residue_seq_code _Residue_label 1 U 2 C 3 A 4 A 5 U 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 'cell free synthesis' 'E. coli' Escherichia coli . P040517-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.2mM {[U-100%} {13C;} U-100% 15N\] Human transformer 2 beta-1, 0.2mM RNA, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM '[U-13C; U-15N]' $entity_2 0.2 mM 'natural abundance' salt 100 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.6 loop_ _Vendor _Address _Electronic_address 'Bruker, Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20060801 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, and, Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, One, Moon, Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9843 loop_ _Vendor _Address _Electronic_address 'N. Kobayashi' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler, and, Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $AMBER $xwinnmr $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'RNA recognition motif' _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 8 ASN H H 8.221 0.030 1 2 8 8 ASN N N 118.814 0.300 1 3 9 9 ARG H H 8.252 0.030 1 4 9 9 ARG N N 121.228 0.300 1 5 10 10 ALA H H 8.132 0.030 1 6 10 10 ALA N N 123.809 0.300 1 7 11 11 ASN H H 8.297 0.030 1 8 11 11 ASN N N 118.438 0.300 1 9 13 13 ASP H H 8.380 0.030 1 10 13 13 ASP N N 122.522 0.300 1 11 18 18 LEU H H 9.293 0.030 1 12 18 18 LEU N N 128.294 0.300 1 13 19 19 GLY H H 9.063 0.030 1 14 19 19 GLY N N 109.204 0.300 1 15 21 21 PHE H H 9.301 0.030 1 16 21 21 PHE N N 122.283 0.300 1 17 22 22 GLY H H 8.627 0.030 1 18 22 22 GLY N N 108.795 0.300 1 19 23 23 LEU H H 7.869 0.030 1 20 23 23 LEU N N 116.375 0.300 1 21 24 24 SER H H 9.341 0.030 1 22 24 24 SER N N 115.235 0.300 1 23 25 25 LEU H H 8.859 0.030 1 24 25 25 LEU N N 125.170 0.300 1 25 26 26 TYR H H 7.720 0.030 1 26 26 26 TYR N N 114.789 0.300 1 27 27 27 THR H H 7.076 0.030 1 28 27 27 THR N N 119.514 0.300 1 29 28 28 THR H H 9.216 0.030 1 30 28 28 THR N N 119.992 0.300 1 31 29 29 GLU H H 9.480 0.030 1 32 29 29 GLU N N 121.129 0.300 1 33 30 30 ARG H H 8.156 0.030 1 34 30 30 ARG N N 119.441 0.300 1 35 31 31 ASP H H 7.473 0.030 1 36 31 31 ASP N N 119.569 0.300 1 37 32 32 LEU H H 7.691 0.030 1 38 32 32 LEU N N 117.331 0.300 1 39 33 33 ARG H H 8.708 0.030 1 40 33 33 ARG N N 120.056 0.300 1 41 34 34 GLU H H 8.131 0.030 1 42 34 34 GLU N N 119.796 0.300 1 43 35 35 VAL H H 7.515 0.030 1 44 35 35 VAL N N 116.599 0.300 1 45 36 36 PHE H H 8.451 0.030 1 46 36 36 PHE N N 114.439 0.300 1 47 37 37 SER H H 8.393 0.030 1 48 37 37 SER N N 115.078 0.300 1 49 38 38 LYS H H 6.900 0.030 1 50 38 38 LYS N N 119.243 0.300 1 51 39 39 TYR H H 7.599 0.030 1 52 39 39 TYR N N 116.375 0.300 1 53 40 40 GLY H H 7.310 0.030 1 54 40 40 GLY N N 106.406 0.300 1 55 42 42 ILE H H 8.465 0.030 1 56 42 42 ILE N N 124.051 0.300 1 57 43 43 ALA H H 9.121 0.030 1 58 43 43 ALA N N 131.138 0.300 1 59 44 44 ASP H H 7.604 0.030 1 60 44 44 ASP N N 114.551 0.300 1 61 45 45 VAL H H 8.194 0.030 1 62 45 45 VAL N N 120.907 0.300 1 63 46 46 SER H H 9.041 0.030 1 64 46 46 SER N N 121.272 0.300 1 65 47 47 ILE H H 8.890 0.030 1 66 47 47 ILE N N 127.941 0.300 1 67 48 48 VAL H H 7.440 0.030 1 68 48 48 VAL N N 127.123 0.300 1 69 49 49 TYR H H 8.439 0.030 1 70 49 49 TYR N N 125.464 0.300 1 71 50 50 ASP H H 8.926 0.030 1 72 50 50 ASP N N 123.191 0.300 1 73 51 51 GLN H H 9.071 0.030 1 74 51 51 GLN N N 126.213 0.300 1 75 52 52 GLN H H 8.514 0.030 1 76 52 52 GLN N N 116.956 0.300 1 77 53 53 SER H H 8.384 0.030 1 78 53 53 SER N N 113.674 0.300 1 79 54 54 ARG H H 8.007 0.030 1 80 54 54 ARG N N 116.821 0.300 1 81 55 55 ARG H H 7.739 0.030 1 82 55 55 ARG N N 117.986 0.300 1 83 56 56 SER H H 8.824 0.030 1 84 56 56 SER N N 117.042 0.300 1 85 57 57 ARG H H 8.916 0.030 1 86 57 57 ARG N N 122.260 0.300 1 87 58 58 GLY H H 9.171 0.030 1 88 58 58 GLY N N 107.770 0.300 1 89 59 59 PHE H H 6.896 0.030 1 90 59 59 PHE N N 112.028 0.300 1 91 60 60 ALA H H 8.324 0.030 1 92 60 60 ALA N N 119.687 0.300 1 93 61 61 PHE H H 8.235 0.030 1 94 61 61 PHE N N 114.845 0.300 1 95 62 62 VAL H H 9.060 0.030 1 96 62 62 VAL N N 123.527 0.300 1 97 63 63 TYR H H 8.859 0.030 1 98 63 63 TYR N N 125.170 0.300 1 99 64 64 PHE H H 9.006 0.030 1 100 64 64 PHE N N 124.406 0.300 1 101 65 65 GLU H H 7.973 0.030 1 102 65 65 GLU N N 118.042 0.300 1 103 66 66 ASN H H 9.057 0.030 1 104 66 66 ASN N N 116.021 0.300 1 105 67 67 VAL H H 8.869 0.030 1 106 67 67 VAL N N 126.028 0.300 1 107 68 68 ASP H H 8.390 0.030 1 108 68 68 ASP N N 121.184 0.300 1 109 69 69 ASP H H 7.305 0.030 1 110 69 69 ASP N N 122.175 0.300 1 111 70 70 ALA H H 6.917 0.030 1 112 70 70 ALA N N 121.311 0.300 1 113 71 71 LYS H H 8.052 0.030 1 114 71 71 LYS N N 116.403 0.300 1 115 72 72 GLU H H 7.289 0.030 1 116 72 72 GLU N N 119.984 0.300 1 117 73 73 ALA H H 7.942 0.030 1 118 73 73 ALA N N 120.413 0.300 1 119 74 74 LYS H H 8.085 0.030 1 120 74 74 LYS N N 117.499 0.300 1 121 75 75 GLU H H 7.403 0.030 1 122 75 75 GLU N N 115.351 0.300 1 123 76 76 ARG H H 8.126 0.030 1 124 76 76 ARG N N 115.362 0.300 1 125 77 77 ALA H H 8.734 0.030 1 126 77 77 ALA N N 119.464 0.300 1 127 78 78 ASN H H 6.861 0.030 1 128 78 78 ASN N N 113.520 0.300 1 129 79 79 GLY H H 8.546 0.030 1 130 79 79 GLY N N 116.942 0.300 1 131 80 80 MET H H 7.852 0.030 1 132 80 80 MET N N 120.092 0.300 1 133 81 81 GLU H H 8.346 0.030 1 134 81 81 GLU N N 121.448 0.300 1 135 82 82 LEU H H 9.138 0.030 1 136 82 82 LEU N N 128.114 0.300 1 137 83 83 ASP H H 9.623 0.030 1 138 83 83 ASP N N 130.028 0.300 1 139 84 84 GLY H H 8.632 0.030 1 140 84 84 GLY N N 102.083 0.300 1 141 85 85 ARG H H 7.501 0.030 1 142 85 85 ARG N N 119.520 0.300 1 143 86 86 ARG H H 8.492 0.030 1 144 86 86 ARG N N 121.280 0.300 1 145 87 87 ILE H H 8.403 0.030 1 146 87 87 ILE N N 122.350 0.300 1 147 88 88 ARG H H 8.627 0.030 1 148 88 88 ARG N N 124.322 0.300 1 149 89 89 VAL H H 8.611 0.030 1 150 89 89 VAL N N 125.092 0.300 1 151 90 90 ASP H H 8.970 0.030 1 152 90 90 ASP N N 124.674 0.300 1 153 91 91 PHE H H 8.921 0.030 1 154 91 91 PHE N N 120.736 0.300 1 155 96 96 ARG H H 8.189 0.030 1 156 96 96 ARG N N 122.553 0.300 1 stop_ save_