data_11406 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assigned chemical shifts of RNA binding domain 3 in RNA (CUGCUG) ; _BMRB_accession_number 11406 _BMRB_flat_file_name bmr11406.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 Terada T. . . 7 Kobayashi N. . . 8 Shirouzu M. . . 9 Kigawa T. . . 10 Guntert P. . . 11 Muto Y. . . 12 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" 100 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-06-24 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11405 'Assigned chemical shifts of RNA binding domain 3' 11407 'Assigned chemical shifts of RNA binding domain 3 in RNA (UAUAUA)' 11408 'Assigned chemical shifts of RNA-binding domain 3 of CUGBP1 in complex with RNA (UG)3' stop_ _Original_release_date 2011-06-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the sequence-specific RNA-recognition mechanism of human CUG-BP1 RRM3.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19553194 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tsuda Kengo . . 2 Kuwasako Kanako . . 3 Takahashi Mari . . 4 Someya Tatsuhiko . . 5 Inoue Makoto . . 6 Terada Takaho . . 7 Kobayashi Naohiro . . 8 Shirouzu Mikako . . 9 Kigawa Takanori . . 10 Tanaka Akiko . . 11 Sugano Sumio . . 12 Guntert Peter . . 13 Muto Yutaka . . 14 Yokoyama Shigeyuki . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 37 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5151 _Page_last 5166 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CUG-BP- and ETR-3-like factor 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA recognition motif' $entity_1 'RNA (CUGCUG)' $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 115 _Mol_residue_sequence ; GSSGSSGLTQQSIGAAGSQK EGPEGANLFIYHLPQEFGDQ DLLQMFMPFGNVVSAKVFID KQTNLSKCFGFVSYDNPVSA QAAIQSMNGFQIGMKRLKVQ LKRSKNDSKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 LEU 9 THR 10 GLN 11 GLN 12 SER 13 ILE 14 GLY 15 ALA 16 ALA 17 GLY 18 SER 19 GLN 20 LYS 21 GLU 22 GLY 23 PRO 24 GLU 25 GLY 26 ALA 27 ASN 28 LEU 29 PHE 30 ILE 31 TYR 32 HIS 33 LEU 34 PRO 35 GLN 36 GLU 37 PHE 38 GLY 39 ASP 40 GLN 41 ASP 42 LEU 43 LEU 44 GLN 45 MET 46 PHE 47 MET 48 PRO 49 PHE 50 GLY 51 ASN 52 VAL 53 VAL 54 SER 55 ALA 56 LYS 57 VAL 58 PHE 59 ILE 60 ASP 61 LYS 62 GLN 63 THR 64 ASN 65 LEU 66 SER 67 LYS 68 CYS 69 PHE 70 GLY 71 PHE 72 VAL 73 SER 74 TYR 75 ASP 76 ASN 77 PRO 78 VAL 79 SER 80 ALA 81 GLN 82 ALA 83 ALA 84 ILE 85 GLN 86 SER 87 MET 88 ASN 89 GLY 90 PHE 91 GLN 92 ILE 93 GLY 94 MET 95 LYS 96 ARG 97 LEU 98 LYS 99 VAL 100 GLN 101 LEU 102 LYS 103 ARG 104 SER 105 LYS 106 ASN 107 ASP 108 SER 109 LYS 110 SER 111 GLY 112 PRO 113 SER 114 SER 115 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 11405 "RNA recognition motif" 100.00 115 100.00 100.00 1.06e-75 BMRB 11407 "RNA recognition motif" 100.00 115 100.00 100.00 1.06e-75 BMRB 11408 "RNA RECOGNITION MOTIF, RESIDUES 383-484" 100.00 115 100.00 100.00 1.06e-75 PDB 2CPZ "Solution Structure Of Rna Binding Domain 3 In Cug Triplet Repeat Rna-Binding Protein 1" 100.00 115 100.00 100.00 1.06e-75 PDB 2RQ4 "Refinement Of Rna Binding Domain 3 In Cug Triplet Repeat Rna-Binding Protein 1" 100.00 115 100.00 100.00 1.06e-75 PDB 2RQC "Solution Structure Of Rna-Binding Domain 3 Of Cugbp1 In Complex With Rna (Ug)3" 100.00 115 100.00 100.00 1.06e-75 DBJ BAB29392 "unnamed protein product [Mus musculus]" 88.70 487 100.00 100.00 3.76e-64 DBJ BAE06101 "CUGBP1 variant protein [Homo sapiens]" 88.70 544 100.00 100.00 1.49e-63 DBJ BAE22391 "unnamed protein product [Mus musculus]" 74.78 88 100.00 100.00 3.80e-55 DBJ BAE25504 "unnamed protein product [Mus musculus]" 88.70 486 99.02 100.00 1.56e-63 DBJ BAE33820 "unnamed protein product [Mus musculus]" 88.70 486 99.02 99.02 6.27e-63 EMBL CAC20566 "deadenylation factor CUG-BP [Homo sapiens]" 88.70 486 100.00 100.00 3.68e-64 EMBL CAC20707 "deadenylation factor EDEN-BP [Mus musculus]" 88.70 486 100.00 100.00 4.19e-64 EMBL CAH65197 "hypothetical protein RCJMB04_7f23 [Gallus gallus]" 88.70 485 100.00 100.00 4.86e-64 EMBL CAH91665 "hypothetical protein [Pongo abelii]" 88.70 513 100.00 100.00 6.66e-64 EMBL CAJ82289 "CUG triplet repeat, RNA binding protein 1 [Xenopus (Silurana) tropicalis]" 88.70 490 97.06 99.02 2.35e-62 GB AAC50895 "CUG-BP/hNab50 [Homo sapiens]" 88.70 482 100.00 100.00 3.68e-64 GB AAF78955 "CUG-binding protein LYLQ isoform [Homo sapiens]" 88.70 486 100.00 100.00 3.68e-64 GB AAF78956 "CUG-binding protein A isoform [Homo sapiens]" 88.70 483 100.00 100.00 3.76e-64 GB AAF78957 "CUG-binding protein LYLQ isoform [Mus musculus]" 88.70 486 100.00 100.00 3.18e-64 GB AAF86230 "RNA-binding protein BRUNOL2 [Homo sapiens]" 88.70 486 100.00 100.00 3.68e-64 REF NP_001012539 "CUGBP Elav-like family member 1 [Gallus gallus]" 88.70 485 100.00 100.00 4.86e-64 REF NP_001017152 "CUGBP Elav-like family member 1 [Xenopus (Silurana) tropicalis]" 88.70 490 97.06 99.02 2.35e-62 REF NP_001020592 "CUGBP Elav-like family member 1 [Rattus norvegicus]" 88.70 487 100.00 100.00 3.65e-64 REF NP_001020767 "CUGBP Elav-like family member 1 isoform 3 [Homo sapiens]" 88.70 486 100.00 100.00 3.68e-64 REF NP_001094682 "CUGBP Elav-like family member 1 [Bos taurus]" 88.70 486 99.02 99.02 1.79e-63 SP P28659 "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=50 kDa nuclear polyadenylated RNA-binding protein; A" 88.70 486 100.00 100.00 4.19e-64 SP Q28HE9 "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" 88.70 490 97.06 99.02 2.35e-62 SP Q4QQT3 "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" 88.70 487 100.00 100.00 3.65e-64 SP Q5F3T7 "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" 88.70 489 100.00 100.00 5.01e-64 SP Q5R995 "RecName: Full=CUGBP Elav-like family member 1; Short=CELF-1; AltName: Full=Bruno-like protein 2; AltName: Full=CUG triplet repe" 88.70 513 100.00 100.00 6.66e-64 TPG DAA21780 "TPA: CUG triplet repeat, RNA-binding protein 1 [Bos taurus]" 88.70 486 99.02 99.02 1.79e-63 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'RNA (CUGCUG)' _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 6 _Mol_residue_sequence CUGCUG loop_ _Residue_seq_code _Residue_label 1 C 2 U 3 G 4 C 5 U 6 G 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 . P040329-21 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\] protein, 0.4mM 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 0.4 mM 'natural abundance' salt 100 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker, Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 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 0.9297 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 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_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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' 120 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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 stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C 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 7 7 GLY H H 8.386 0.030 1 2 7 7 GLY N N 110.609 0.300 1 3 8 8 LEU H H 8.087 0.030 1 4 8 8 LEU N N 121.510 0.300 1 5 9 9 THR H H 8.133 0.030 1 6 9 9 THR N N 114.816 0.300 1 7 10 10 GLN H H 8.399 0.030 1 8 10 10 GLN N N 122.558 0.300 1 9 11 11 GLN H H 8.368 0.030 1 10 11 11 GLN N N 121.529 0.300 1 11 12 12 SER H H 8.466 0.030 1 12 12 12 SER N N 118.086 0.300 1 13 13 13 ILE H H 8.268 0.030 1 14 13 13 ILE N N 123.162 0.300 1 15 14 14 GLY H H 8.465 0.030 1 16 14 14 GLY N N 112.757 0.300 1 17 15 15 ALA H H 7.889 0.030 1 18 15 15 ALA N N 122.381 0.300 1 19 16 16 ALA H H 8.275 0.030 1 20 16 16 ALA N N 121.294 0.300 1 21 17 17 GLY H H 9.031 0.030 1 22 17 17 GLY N N 111.800 0.300 1 23 18 18 SER H H 7.577 0.030 1 24 18 18 SER N N 115.290 0.300 1 25 19 19 GLN H H 8.342 0.030 1 26 19 19 GLN N N 119.904 0.300 1 27 20 20 LYS H H 8.001 0.030 1 28 20 20 LYS N N 123.876 0.300 1 29 21 21 GLU H H 8.383 0.030 1 30 21 21 GLU N N 124.236 0.300 1 31 22 22 GLY H H 9.219 0.030 1 32 22 22 GLY N N 110.699 0.300 1 33 24 24 GLU H H 8.349 0.030 1 34 24 24 GLU N N 119.216 0.300 1 35 25 25 GLY H H 8.518 0.030 1 36 25 25 GLY N N 113.033 0.300 1 37 26 26 ALA H H 8.345 0.030 1 38 26 26 ALA N N 119.980 0.300 1 39 27 27 ASN H H 7.513 0.030 1 40 27 27 ASN N N 115.283 0.300 1 41 28 28 LEU H H 9.336 0.030 1 42 28 28 LEU N N 123.898 0.300 1 43 29 29 PHE H H 9.098 0.030 1 44 29 29 PHE N N 120.037 0.300 1 45 30 30 ILE H H 8.453 0.030 1 46 30 30 ILE N N 121.520 0.300 1 47 31 31 TYR H H 9.405 0.030 1 48 31 31 TYR N N 123.250 0.300 1 49 32 32 HIS H H 8.524 0.030 1 50 32 32 HIS N N 112.363 0.300 1 51 33 33 LEU H H 7.429 0.030 1 52 33 33 LEU N N 114.007 0.300 1 53 35 35 GLN H H 9.119 0.030 1 54 35 35 GLN N N 126.159 0.300 1 55 36 36 GLU H H 9.041 0.030 1 56 36 36 GLU N N 114.307 0.300 1 57 37 37 PHE H H 7.552 0.030 1 58 37 37 PHE N N 122.409 0.300 1 59 38 38 GLY H H 9.534 0.030 1 60 38 38 GLY N N 114.128 0.300 1 61 39 39 ASP H H 8.545 0.030 1 62 39 39 ASP N N 120.178 0.300 1 63 40 40 GLN H H 8.680 0.030 1 64 40 40 GLN N N 115.803 0.300 1 65 41 41 ASP H H 7.054 0.030 1 66 41 41 ASP N N 118.273 0.300 1 67 42 42 LEU H H 7.710 0.030 1 68 42 42 LEU N N 120.473 0.300 1 69 43 43 LEU H H 8.177 0.030 1 70 43 43 LEU N N 118.503 0.300 1 71 44 44 GLN H H 8.036 0.030 1 72 44 44 GLN N N 115.517 0.300 1 73 45 45 MET H H 7.546 0.030 1 74 45 45 MET N N 116.120 0.300 1 75 46 46 PHE H H 7.596 0.030 1 76 46 46 PHE N N 113.196 0.300 1 77 47 47 MET H H 8.379 0.030 1 78 47 47 MET N N 127.647 0.300 1 79 49 49 PHE H H 6.576 0.030 1 80 49 49 PHE N N 110.108 0.300 1 81 50 50 GLY H H 7.653 0.030 1 82 50 50 GLY N N 105.887 0.300 1 83 51 51 ASN H H 8.996 0.030 1 84 51 51 ASN N N 117.374 0.300 1 85 52 52 VAL H H 8.360 0.030 1 86 52 52 VAL N N 128.194 0.300 1 87 53 53 VAL H H 8.978 0.030 1 88 53 53 VAL N N 129.489 0.300 1 89 54 54 SER H H 7.244 0.030 1 90 54 54 SER N N 113.160 0.300 1 91 55 55 ALA H H 7.791 0.030 1 92 55 55 ALA N N 123.532 0.300 1 93 56 56 LYS H H 8.921 0.030 1 94 56 56 LYS N N 124.009 0.300 1 95 57 57 VAL H H 8.827 0.030 1 96 57 57 VAL N N 126.298 0.300 1 97 58 58 PHE H H 8.267 0.030 1 98 58 58 PHE N N 127.376 0.300 1 99 59 59 ILE H H 8.312 0.030 1 100 59 59 ILE N N 121.227 0.300 1 101 60 60 ASP H H 8.658 0.030 1 102 60 60 ASP N N 126.243 0.300 1 103 61 61 LYS H H 8.872 0.030 1 104 61 61 LYS N N 127.551 0.300 1 105 62 62 GLN H H 8.690 0.030 1 106 62 62 GLN N N 116.946 0.300 1 107 63 63 THR H H 7.778 0.030 1 108 63 63 THR N N 106.945 0.300 1 109 64 64 ASN H H 8.482 0.030 1 110 64 64 ASN N N 116.898 0.300 1 111 65 65 LEU H H 7.597 0.030 1 112 65 65 LEU N N 117.751 0.300 1 113 66 66 SER H H 8.705 0.030 1 114 66 66 SER N N 115.018 0.300 1 115 67 67 LYS H H 9.090 0.030 1 116 67 67 LYS N N 125.255 0.300 1 117 68 68 CYS H H 10.076 0.030 1 118 68 68 CYS N N 111.727 0.300 1 119 69 69 PHE H H 7.624 0.030 1 120 69 69 PHE N N 114.908 0.300 1 121 70 70 GLY H H 9.064 0.030 1 122 70 70 GLY N N 107.262 0.300 1 123 71 71 PHE H H 8.789 0.030 1 124 71 71 PHE N N 119.493 0.300 1 125 72 72 VAL H H 7.788 0.030 1 126 72 72 VAL N N 123.865 0.300 1 127 73 73 SER H H 8.461 0.030 1 128 73 73 SER N N 118.983 0.300 1 129 74 74 TYR H H 8.333 0.030 1 130 74 74 TYR N N 119.866 0.300 1 131 75 75 ASP H H 7.809 0.030 1 132 75 75 ASP N N 113.291 0.300 1 133 76 76 ASN H H 7.220 0.030 1 134 76 76 ASN N N 113.995 0.300 1 135 78 78 VAL H H 8.057 0.030 1 136 78 78 VAL N N 121.098 0.300 1 137 79 79 SER H H 7.870 0.030 1 138 79 79 SER N N 118.003 0.300 1 139 80 80 ALA H H 6.357 0.030 1 140 80 80 ALA N N 120.140 0.300 1 141 81 81 GLN H H 7.712 0.030 1 142 81 81 GLN N N 115.836 0.300 1 143 82 82 ALA H H 7.801 0.030 1 144 82 82 ALA N N 123.077 0.300 1 145 83 83 ALA H H 7.854 0.030 1 146 83 83 ALA N N 121.718 0.300 1 147 84 84 ILE H H 8.038 0.030 1 148 84 84 ILE N N 118.714 0.300 1 149 85 85 GLN H H 7.808 0.030 1 150 85 85 GLN N N 116.542 0.300 1 151 86 86 SER H H 7.509 0.030 1 152 86 86 SER N N 110.676 0.300 1 153 87 87 MET H H 8.311 0.030 1 154 87 87 MET N N 114.373 0.300 1 155 88 88 ASN H H 8.315 0.030 1 156 88 88 ASN N N 118.751 0.300 1 157 89 89 GLY H H 8.976 0.030 1 158 89 89 GLY N N 118.167 0.300 1 159 90 90 PHE H H 7.908 0.030 1 160 90 90 PHE N N 123.243 0.300 1 161 91 91 GLN H H 7.989 0.030 1 162 91 91 GLN N N 128.526 0.300 1 163 92 92 ILE H H 8.510 0.030 1 164 92 92 ILE N N 126.302 0.300 1 165 93 93 GLY H H 8.942 0.030 1 166 93 93 GLY N N 117.837 0.300 1 167 94 94 MET H H 8.934 0.030 1 168 94 94 MET N N 123.355 0.300 1 169 95 95 LYS H H 7.870 0.030 1 170 95 95 LYS N N 119.681 0.300 1 171 96 96 ARG H H 8.229 0.030 1 172 96 96 ARG N N 119.640 0.300 1 173 97 97 LEU H H 9.111 0.030 1 174 97 97 LEU N N 123.281 0.300 1 175 98 98 LYS H H 8.029 0.030 1 176 98 98 LYS N N 122.595 0.300 1 177 99 99 VAL H H 8.681 0.030 1 178 99 99 VAL N N 125.827 0.300 1 179 100 100 GLN H H 9.001 0.030 1 180 100 100 GLN N N 123.184 0.300 1 181 101 101 LEU H H 8.757 0.030 1 182 101 101 LEU N N 122.070 0.300 1 183 102 102 LYS H H 8.437 0.030 1 184 102 102 LYS N N 123.889 0.300 1 185 103 103 ARG H H 8.550 0.030 1 186 103 103 ARG N N 126.105 0.300 1 187 104 104 SER H H 8.631 0.030 1 188 104 104 SER N N 119.592 0.300 1 189 105 105 LYS H H 9.049 0.030 1 190 105 105 LYS N N 125.205 0.300 1 191 107 107 ASP H H 8.183 0.030 1 192 107 107 ASP N N 121.129 0.300 1 193 108 108 SER H H 8.245 0.030 1 194 108 108 SER N N 116.299 0.300 1 195 109 109 LYS H H 8.334 0.030 1 196 109 109 LYS N N 122.883 0.300 1 197 110 110 SER H H 8.222 0.030 1 198 110 110 SER N N 116.400 0.300 1 199 111 111 GLY H H 8.188 0.030 1 200 111 111 GLY N N 110.657 0.300 1 stop_ save_