data_16425 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Interdomain RRM packing contributes to RNA recognition in the rna15, hrp1, anchor RNA 3' processing ternary complex ; _BMRB_accession_number 16425 _BMRB_flat_file_name bmr16425.str _Entry_type new _Submission_date 2009-07-24 _Accession_date 2009-07-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR structure of rna15p and hrp1p proteins bound to RNA refined with PREs and RDCs.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leeper Thomas C. . 2 Varani Gabriele . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 472 "13C chemical shifts" 280 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'Complete entry citation' 2010-07-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Novel Protein-Protein Contacts Facilitate mRNA 3'-Processing Signal Recognition by Rna15 and Hrp1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20600122 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leeper Thomas C. . 2 Qu Xiangping . . 3 Lu Connie . . 4 Moore Claire . . 5 Varani Gabriele . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 401 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 334 _Page_last 349 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "rna15, hrp1, anchor RNA 3' processing ternary complex" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label rna15p $rna15p anchor_RNA $anchor_RNA hrp1p $hrp1p 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_rna15p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rna15p _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 84 _Mol_residue_sequence ; NPPSRVVYLGSIPYDQTEEQ ILDLCSNVGPVINLKMMFDP QTGRSKGYAFIEFRDLESSA SAVRNLNGYQLGSRFLKCGY SSNS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 22 ASN 2 23 PRO 3 24 PRO 4 25 SER 5 26 ARG 6 27 VAL 7 28 VAL 8 29 TYR 9 30 LEU 10 31 GLY 11 32 SER 12 33 ILE 13 34 PRO 14 35 TYR 15 36 ASP 16 37 GLN 17 38 THR 18 39 GLU 19 40 GLU 20 41 GLN 21 42 ILE 22 43 LEU 23 44 ASP 24 45 LEU 25 46 CYS 26 47 SER 27 48 ASN 28 49 VAL 29 50 GLY 30 51 PRO 31 52 VAL 32 53 ILE 33 54 ASN 34 55 LEU 35 56 LYS 36 57 MET 37 58 MET 38 59 PHE 39 60 ASP 40 61 PRO 41 62 GLN 42 63 THR 43 64 GLY 44 65 ARG 45 66 SER 46 67 LYS 47 68 GLY 48 69 TYR 49 70 ALA 50 71 PHE 51 72 ILE 52 73 GLU 53 74 PHE 54 75 ARG 55 76 ASP 56 77 LEU 57 78 GLU 58 79 SER 59 80 SER 60 81 ALA 61 82 SER 62 83 ALA 63 84 VAL 64 85 ARG 65 86 ASN 66 87 LEU 67 88 ASN 68 89 GLY 69 90 TYR 70 91 GLN 71 92 LEU 72 93 GLY 73 94 SER 74 95 ARG 75 96 PHE 76 97 LEU 77 98 LYS 78 99 CYS 79 100 GLY 80 101 TYR 81 102 SER 82 103 SER 83 104 ASN 84 105 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 PDB 2KM8 "Interdomain Rrm Packing Contributes To Rna Recognition In The Rna15, Hrp1, Anchor Rna 3' Processing Ternary Complex" 100.00 84 100.00 100.00 1.47e-53 PDB 2X1A "Structure Of Rna15 Rrm With Rna Bound (G)" 97.62 97 100.00 100.00 5.97e-52 PDB 2X1B "Structure Of Rna15 Rrm" 97.62 97 100.00 100.00 5.97e-52 PDB 2X1F "Structure Of Rna15 Rrm With Bound Rna (Gu)" 97.62 96 100.00 100.00 1.30e-52 DBJ GAA23344 "K7_Rna15p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 296 100.00 100.00 2.45e-52 EMBL CAA96746 "RNA15 [Saccharomyces cerevisiae]" 100.00 296 100.00 100.00 2.40e-52 EMBL CAY79715 "Rna15p [Saccharomyces cerevisiae EC1118]" 100.00 295 100.00 100.00 2.19e-52 GB AAA34984 "RNA15 [Saccharomyces cerevisiae]" 100.00 296 100.00 100.00 2.40e-52 GB AHY79328 "Rna15p [Saccharomyces cerevisiae YJM993]" 100.00 296 100.00 100.00 2.40e-52 GB AJP38746 "Rna15p [Saccharomyces cerevisiae YJM1078]" 100.00 295 98.81 100.00 7.71e-52 GB AJR76066 "Rna15p [Saccharomyces cerevisiae YJM189]" 100.00 296 100.00 100.00 2.40e-52 GB AJR76567 "Rna15p [Saccharomyces cerevisiae YJM193]" 100.00 296 100.00 100.00 2.25e-52 REF NP_011471 "Rna15p [Saccharomyces cerevisiae S288c]" 100.00 296 100.00 100.00 2.40e-52 SP P25299 "RecName: Full=mRNA 3'-end-processing protein RNA15" 100.00 296 100.00 100.00 2.40e-52 TPG DAA08056 "TPA: Rna15p [Saccharomyces cerevisiae S288c]" 100.00 296 100.00 100.00 2.40e-52 stop_ save_ save_anchor_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common anchor_RNA _Molecular_mass 112.088 _Mol_thiol_state 'not present' _Details . _Residue_count 13 _Mol_residue_sequence UAUAUAUAAUAAU loop_ _Residue_seq_code _Residue_label 1 U 2 A 3 U 4 A 5 U 6 A 7 U 8 A 9 A 10 U 11 A 12 A 13 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_hrp1p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hrp1p _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 167 _Mol_residue_sequence ; KESCKMFIGGLNWDTTEDNL REYFGKYGTVTDLKIMKDPA TGRSRGFGFLSFEKPSSVDE VVKTQHILDGKVIDPKRAIP RDEQDKTGKIFVGGIGPDVR PKEFEEFFSQWGTIIDAQLM LDKDTGQSRGFGFVTYDSAD AVDRVCQNKFIDFKDRKIEI KRAEPRH ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 GLU 3 SER 4 CYS 5 LYS 6 MET 7 PHE 8 ILE 9 GLY 10 GLY 11 LEU 12 ASN 13 TRP 14 ASP 15 THR 16 THR 17 GLU 18 ASP 19 ASN 20 LEU 21 ARG 22 GLU 23 TYR 24 PHE 25 GLY 26 LYS 27 TYR 28 GLY 29 THR 30 VAL 31 THR 32 ASP 33 LEU 34 LYS 35 ILE 36 MET 37 LYS 38 ASP 39 PRO 40 ALA 41 THR 42 GLY 43 ARG 44 SER 45 ARG 46 GLY 47 PHE 48 GLY 49 PHE 50 LEU 51 SER 52 PHE 53 GLU 54 LYS 55 PRO 56 SER 57 SER 58 VAL 59 ASP 60 GLU 61 VAL 62 VAL 63 LYS 64 THR 65 GLN 66 HIS 67 ILE 68 LEU 69 ASP 70 GLY 71 LYS 72 VAL 73 ILE 74 ASP 75 PRO 76 LYS 77 ARG 78 ALA 79 ILE 80 PRO 81 ARG 82 ASP 83 GLU 84 GLN 85 ASP 86 LYS 87 THR 88 GLY 89 LYS 90 ILE 91 PHE 92 VAL 93 GLY 94 GLY 95 ILE 96 GLY 97 PRO 98 ASP 99 VAL 100 ARG 101 PRO 102 LYS 103 GLU 104 PHE 105 GLU 106 GLU 107 PHE 108 PHE 109 SER 110 GLN 111 TRP 112 GLY 113 THR 114 ILE 115 ILE 116 ASP 117 ALA 118 GLN 119 LEU 120 MET 121 LEU 122 ASP 123 LYS 124 ASP 125 THR 126 GLY 127 GLN 128 SER 129 ARG 130 GLY 131 PHE 132 GLY 133 PHE 134 VAL 135 THR 136 TYR 137 ASP 138 SER 139 ALA 140 ASP 141 ALA 142 VAL 143 ASP 144 ARG 145 VAL 146 CYS 147 GLN 148 ASN 149 LYS 150 PHE 151 ILE 152 ASP 153 PHE 154 LYS 155 ASP 156 ARG 157 LYS 158 ILE 159 GLU 160 ILE 161 LYS 162 ARG 163 ALA 164 GLU 165 PRO 166 ARG 167 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 PDB 2CJK "Structure Of The Rna Binding Domain Of Hrp1 In Complex With Rna" 100.00 167 100.00 100.00 1.09e-116 PDB 2KM8 "Interdomain Rrm Packing Contributes To Rna Recognition In The Rna15, Hrp1, Anchor Rna 3' Processing Ternary Complex" 100.00 167 100.00 100.00 1.09e-116 DBJ GAA26207 "K7_Hrp1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 534 100.00 100.00 1.35e-109 EMBL CAA64546 "RNA binding protein [Saccharomyces cerevisiae]" 100.00 534 100.00 100.00 1.35e-109 EMBL CAA99142 "HRP1 [Saccharomyces cerevisiae]" 100.00 534 100.00 100.00 1.35e-109 EMBL CAY86168 "Hrp1p [Saccharomyces cerevisiae EC1118]" 100.00 534 100.00 100.00 9.96e-118 GB AAA79097 "nuclear polyadenylated RNA-binding protein [Saccharomyces cerevisiae]" 100.00 534 100.00 100.00 1.35e-109 GB AAB18142 "Hrp1p [Saccharomyces cerevisiae]" 100.00 534 100.00 100.00 1.35e-109 GB AHY77195 "Hrp1p [Saccharomyces cerevisiae YJM993]" 100.00 534 100.00 100.00 1.25e-109 GB EDN63753 "cleavage and polyadenylation factor CF I component involved in pre-mRNA 3'-end processing [Saccharomyces cerevisiae YJM789]" 100.00 534 100.00 100.00 1.25e-109 GB EDV10496 "nuclear polyadenylated RNA-binding protein 4 [Saccharomyces cerevisiae RM11-1a]" 100.00 534 100.00 100.00 1.25e-109 REF NP_014518 "Hrp1p [Saccharomyces cerevisiae S288c]" 100.00 534 100.00 100.00 1.35e-109 REF XP_011105369 "hrp1p [Saccharomyces arboricola H-6]" 100.00 540 100.00 100.00 1.50e-117 SP Q99383 "RecName: Full=Nuclear polyadenylated RNA-binding protein 4; AltName: Full=Cleavage factor IB; Short=CFIB [Saccharomyces cerevis" 100.00 534 100.00 100.00 1.35e-109 TPG DAA10661 "TPA: Hrp1p [Saccharomyces cerevisiae S288c]" 100.00 534 100.00 100.00 1.35e-109 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $rna15p 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 2.1 $hrp1p 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae . $anchor_RNA 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae . 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 $rna15p 'recombinant technology' . . . 'Rosetta pLys' pet32 $hrp1p 'recombinant technology' . . . 'Rosetta pLys' pet32 $anchor_RNA 'enzymatic semisynthesis' . . . . . 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 $rna15p 0.4 mM '[U-100% 15N]' $hrp1p 0.4 mM 'natural abundance' $anchor_RNA 0.4 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' NaCl 150 mM 'natural abundance' Phosphate 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rna15p 0.6 mM 'natural abundance' $hrp1p 0.6 mM '[U-100% 15N]' $anchor_RNA 0.6 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' NaCl 150 mM 'natural abundance' Phosphate 20 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rna15p 0.35 mM '[U-100% 13C]' $hrp1p 0.35 mM '[U-100% 15N]' $anchor_RNA 0.35 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' NaCl 150 mM 'natural abundance' Phosphate 20 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rna15p 0.5 mM '[U-100% 15N]' $hrp1p 0.5 mM '[U-100% 13C]' $anchor_RNA 0.5 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' NaCl 150 mM 'natural abundance' Phosphate 20 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rna15p 0.5 mM '[U-100% 13C; U-100% 15N]' $hrp1p 0.5 mM 'natural abundance' $anchor_RNA 0.5 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' NaCl 150 mM 'natural abundance' Phosphate 20 mM 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $rna15p 0.5 mM 'natural abundance' $hrp1p 0.5 mM '[U-100% 13C; U-100% 15N]' $anchor_RNA 0.5 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' NaCl 150 mM 'natural abundance' Phosphate 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . 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 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_5 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_5 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_5 save_ save_3D_HN(CO)CA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_5 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_5 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_5 save_ save_3D_1H-15N_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_5 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_5 save_ save_3D_1H-13C_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_5 save_ save_3D_1H-15N_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_6 save_ save_3D_1H-13C_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_6 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 0.1 K pH 7 0.03 pH pressure 1 . atm 'ionic strength' 160 5 mM 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 water H 1 protons ppm 4.71 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name rna15p _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 22 1 ASN H H 8.213 0.020 1 2 22 1 ASN HA H 4.969 0.020 1 3 22 1 ASN HB2 H 2.489 0.020 2 4 22 1 ASN HB3 H 2.696 0.020 2 5 22 1 ASN HD21 H 7.577 0.020 2 6 22 1 ASN HD22 H 7.191 0.020 2 7 22 1 ASN CA C 51.398 0.400 1 8 22 1 ASN CB C 38.777 0.400 1 9 22 1 ASN N N 121.109 0.400 1 10 22 1 ASN ND2 N 113.590 0.400 1 11 23 2 PRO HA H 1.694 0.020 1 12 23 2 PRO HB2 H 1.865 0.020 2 13 23 2 PRO HB3 H 1.399 0.020 2 14 23 2 PRO HD2 H 3.261 0.020 2 15 23 2 PRO HD3 H 3.612 0.020 2 16 23 2 PRO HG2 H 1.634 0.020 2 17 23 2 PRO HG3 H 1.634 0.020 2 18 23 2 PRO CA C 63.061 0.400 1 19 23 2 PRO CD C 50.046 0.400 1 20 24 3 PRO HA H 4.721 0.020 1 21 24 3 PRO HB2 H 2.142 0.020 2 22 24 3 PRO HB3 H 1.506 0.020 2 23 24 3 PRO HD2 H 3.277 0.020 2 24 24 3 PRO HD3 H 3.905 0.020 2 25 24 3 PRO HG2 H 1.772 0.020 2 26 24 3 PRO HG3 H 2.016 0.020 2 27 24 3 PRO C C 175.498 0.400 1 28 24 3 PRO CA C 63.102 0.400 1 29 24 3 PRO CD C 50.660 0.400 1 30 25 4 SER H H 6.465 0.020 1 31 25 4 SER HA H 4.455 0.020 1 32 25 4 SER HB2 H 3.801 0.020 2 33 25 4 SER HB3 H 4.011 0.020 2 34 25 4 SER C C 175.341 0.400 1 35 25 4 SER CA C 54.993 0.400 1 36 25 4 SER CB C 64.823 0.400 1 37 25 4 SER N N 115.410 0.400 1 38 26 5 ARG H H 9.088 0.020 1 39 26 5 ARG HA H 4.023 0.020 1 40 26 5 ARG HB2 H 1.727 0.020 2 41 26 5 ARG HB3 H 1.820 0.020 2 42 26 5 ARG HD2 H 3.171 0.020 2 43 26 5 ARG HD3 H 3.171 0.020 2 44 26 5 ARG HG2 H 1.513 0.020 2 45 26 5 ARG HG3 H 1.648 0.020 2 46 26 5 ARG C C 175.341 0.400 1 47 26 5 ARG CA C 59.169 0.400 1 48 26 5 ARG CB C 31.157 0.400 1 49 26 5 ARG CD C 43.389 0.400 1 50 26 5 ARG CG C 27.317 0.400 1 51 26 5 ARG N N 123.698 0.400 1 52 27 6 VAL H H 8.642 0.020 1 53 27 6 VAL HA H 5.111 0.020 1 54 27 6 VAL HB H 2.009 0.020 1 55 27 6 VAL HG1 H 0.676 0.020 2 56 27 6 VAL HG2 H 0.857 0.020 2 57 27 6 VAL C C 176.230 0.400 1 58 27 6 VAL CA C 60.589 0.400 1 59 27 6 VAL CB C 31.871 0.400 1 60 27 6 VAL CG1 C 21.310 0.400 1 61 27 6 VAL CG2 C 22.628 0.400 1 62 27 6 VAL N N 118.268 0.400 1 63 28 7 VAL H H 9.307 0.020 1 64 28 7 VAL HA H 5.065 0.020 1 65 28 7 VAL HB H 2.192 0.020 1 66 28 7 VAL HG1 H 0.817 0.020 2 67 28 7 VAL HG2 H 0.862 0.020 2 68 28 7 VAL C C 175.106 0.400 1 69 28 7 VAL CA C 58.399 0.400 1 70 28 7 VAL CB C 33.675 0.400 1 71 28 7 VAL CG1 C 21.700 0.400 1 72 28 7 VAL CG2 C 20.868 0.400 1 73 28 7 VAL N N 119.721 0.400 1 74 29 8 TYR H H 8.963 0.020 1 75 29 8 TYR HA H 4.772 0.020 1 76 29 8 TYR HB2 H 2.462 0.020 2 77 29 8 TYR HB3 H 2.684 0.020 2 78 29 8 TYR HD1 H 7.258 0.020 1 79 29 8 TYR HD2 H 7.258 0.020 1 80 29 8 TYR HE1 H 6.865 0.020 1 81 29 8 TYR HE2 H 6.865 0.020 1 82 29 8 TYR C C 172.753 0.400 1 83 29 8 TYR CA C 55.814 0.400 1 84 29 8 TYR CB C 40.314 0.400 1 85 29 8 TYR N N 122.419 0.400 1 86 30 9 LEU H H 8.346 0.020 1 87 30 9 LEU HA H 4.964 0.020 1 88 30 9 LEU HB2 H 1.531 0.020 2 89 30 9 LEU HB3 H 0.694 0.020 2 90 30 9 LEU HD1 H 0.502 0.020 2 91 30 9 LEU HD2 H 0.864 0.020 2 92 30 9 LEU HG H 1.145 0.020 1 93 30 9 LEU C C 174.060 0.400 1 94 30 9 LEU CA C 53.214 0.400 1 95 30 9 LEU CB C 46.320 0.400 1 96 30 9 LEU CD1 C 25.793 0.400 1 97 30 9 LEU CD2 C 26.558 0.400 1 98 30 9 LEU N N 128.657 0.400 1 99 31 10 GLY H H 9.112 0.020 1 100 31 10 GLY HA2 H 4.902 0.020 2 101 31 10 GLY HA3 H 3.540 0.020 2 102 31 10 GLY CA C 43.192 0.400 1 103 31 10 GLY N N 110.895 0.400 1 104 32 11 SER H H 7.868 0.020 1 105 32 11 SER HA H 4.661 0.020 1 106 32 11 SER HB2 H 3.524 0.020 2 107 32 11 SER HB3 H 3.817 0.020 2 108 32 11 SER C C 174.531 0.400 1 109 32 11 SER CA C 58.108 0.400 1 110 32 11 SER CB C 63.234 0.400 1 111 33 12 ILE H H 8.071 0.020 1 112 33 12 ILE HA H 3.608 0.020 1 113 33 12 ILE HB H 1.050 0.020 1 114 33 12 ILE HD1 H 0.346 0.020 1 115 33 12 ILE HG12 H 1.288 0.020 2 116 33 12 ILE HG13 H 1.288 0.020 2 117 33 12 ILE HG2 H 0.801 0.020 1 118 33 12 ILE CA C 59.175 0.400 1 119 33 12 ILE CB C 40.020 0.400 1 120 33 12 ILE CD1 C 14.160 0.400 1 121 33 12 ILE N N 116.869 0.400 1 122 34 13 PRO HA H 4.428 0.020 1 123 34 13 PRO HB2 H 1.783 0.020 2 124 34 13 PRO HB3 H 2.226 0.020 2 125 34 13 PRO HD2 H 3.568 0.020 2 126 34 13 PRO HD3 H 3.698 0.020 2 127 34 13 PRO HG2 H 1.937 0.020 2 128 34 13 PRO HG3 H 2.046 0.020 2 129 34 13 PRO C C 179.392 0.400 1 130 34 13 PRO CA C 63.114 0.400 1 131 34 13 PRO CB C 31.762 0.400 1 132 34 13 PRO CD C 50.556 0.400 1 133 34 13 PRO CG C 28.042 0.400 1 134 35 14 TYR H H 8.226 0.020 1 135 35 14 TYR HA H 4.220 0.020 1 136 35 14 TYR HB2 H 2.824 0.020 2 137 35 14 TYR HB3 H 3.215 0.020 2 138 35 14 TYR HD1 H 6.881 0.020 1 139 35 14 TYR HD2 H 6.881 0.020 1 140 35 14 TYR HE1 H 6.365 0.020 1 141 35 14 TYR HE2 H 6.365 0.020 1 142 35 14 TYR C C 175.158 0.400 1 143 35 14 TYR CA C 59.383 0.400 1 144 35 14 TYR CB C 37.603 0.400 1 145 35 14 TYR N N 123.073 0.400 1 146 36 15 ASP H H 8.194 0.020 1 147 36 15 ASP HA H 4.477 0.020 1 148 36 15 ASP HB2 H 2.520 0.020 2 149 36 15 ASP HB3 H 2.825 0.020 2 150 36 15 ASP C C 177.223 0.400 1 151 36 15 ASP CA C 53.332 0.400 1 152 36 15 ASP CB C 40.083 0.400 1 153 36 15 ASP N N 113.332 0.400 1 154 37 16 GLN H H 7.257 0.020 1 155 37 16 GLN HA H 4.491 0.020 1 156 37 16 GLN HB2 H 1.752 0.020 2 157 37 16 GLN HB3 H 1.923 0.020 2 158 37 16 GLN HE21 H 6.252 0.020 2 159 37 16 GLN HE22 H 7.169 0.020 2 160 37 16 GLN HG2 H 2.204 0.020 2 161 37 16 GLN HG3 H 1.867 0.020 2 162 37 16 GLN C C 177.327 0.400 1 163 37 16 GLN CA C 55.096 0.400 1 164 37 16 GLN CB C 28.113 0.400 1 165 37 16 GLN CG C 34.367 0.400 1 166 37 16 GLN N N 118.545 0.400 1 167 37 16 GLN NE2 N 110.220 0.400 1 168 38 17 THR H H 8.923 0.020 1 169 38 17 THR HA H 4.432 0.020 1 170 38 17 THR HB H 4.721 0.020 1 171 38 17 THR HG2 H 1.270 0.020 1 172 38 17 THR C C 175.576 0.400 1 173 38 17 THR CA C 60.200 0.400 1 174 38 17 THR CB C 71.806 0.400 1 175 38 17 THR CG2 C 21.667 0.400 1 176 38 17 THR N N 114.697 0.400 1 177 39 18 GLU H H 9.200 0.020 1 178 39 18 GLU HA H 3.826 0.020 1 179 39 18 GLU HB2 H 2.130 0.020 2 180 39 18 GLU HB3 H 2.000 0.020 2 181 39 18 GLU HG2 H 2.303 0.020 2 182 39 18 GLU HG3 H 2.254 0.020 2 183 39 18 GLU C C 178.242 0.400 1 184 39 18 GLU CA C 60.217 0.400 1 185 39 18 GLU CB C 29.245 0.400 1 186 39 18 GLU N N 120.339 0.400 1 187 40 19 GLU H H 8.485 0.020 1 188 40 19 GLU HA H 3.843 0.020 1 189 40 19 GLU HB2 H 1.855 0.020 2 190 40 19 GLU HB3 H 1.855 0.020 2 191 40 19 GLU HG2 H 2.297 0.020 2 192 40 19 GLU HG3 H 2.297 0.020 2 193 40 19 GLU C C 179.366 0.400 1 194 40 19 GLU CA C 59.742 0.400 1 195 40 19 GLU CB C 28.718 0.400 1 196 40 19 GLU N N 117.097 0.400 1 197 41 20 GLN H H 7.525 0.020 1 198 41 20 GLN HA H 4.017 0.020 1 199 41 20 GLN HB2 H 2.021 0.020 2 200 41 20 GLN HB3 H 2.295 0.020 2 201 41 20 GLN HE21 H 7.344 0.020 2 202 41 20 GLN HE22 H 6.595 0.020 2 203 41 20 GLN HG2 H 2.198 0.020 2 204 41 20 GLN HG3 H 2.281 0.020 2 205 41 20 GLN C C 180.333 0.400 1 206 41 20 GLN CA C 59.065 0.400 1 207 41 20 GLN CB C 28.743 0.400 1 208 41 20 GLN CG C 37.559 0.400 1 209 41 20 GLN N N 118.500 0.400 1 210 41 20 GLN NE2 N 110.355 0.400 1 211 42 21 ILE H H 8.015 0.020 1 212 42 21 ILE HA H 3.767 0.020 1 213 42 21 ILE HB H 1.991 0.020 1 214 42 21 ILE HD1 H 0.458 0.020 1 215 42 21 ILE HG12 H 1.046 0.020 2 216 42 21 ILE HG13 H 1.563 0.020 2 217 42 21 ILE HG2 H 0.572 0.020 1 218 42 21 ILE C C 178.373 0.400 1 219 42 21 ILE CA C 61.980 0.400 1 220 42 21 ILE CB C 35.003 0.400 1 221 42 21 ILE CD1 C 9.212 0.400 1 222 42 21 ILE CG1 C 27.193 0.400 1 223 42 21 ILE CG2 C 18.421 0.400 1 224 42 21 ILE N N 120.915 0.400 1 225 43 22 LEU H H 8.796 0.020 1 226 43 22 LEU HA H 5.453 0.020 1 227 43 22 LEU HB2 H 2.361 0.020 2 228 43 22 LEU HB3 H 2.180 0.020 2 229 43 22 LEU HD1 H 0.864 0.020 2 230 43 22 LEU HD2 H 0.864 0.020 2 231 43 22 LEU HG H 2.109 0.020 1 232 43 22 LEU C C 180.046 0.400 1 233 43 22 LEU CA C 56.927 0.400 1 234 43 22 LEU CD1 C 24.381 0.400 1 235 43 22 LEU N N 123.697 0.400 1 236 44 23 ASP H H 7.973 0.020 1 237 44 23 ASP HA H 4.202 0.020 1 238 44 23 ASP HB2 H 2.667 0.020 2 239 44 23 ASP C C 178.478 0.400 1 240 44 23 ASP CA C 57.065 0.400 1 241 44 23 ASP N N 120.572 0.400 1 242 45 24 LEU H H 7.506 0.020 1 243 45 24 LEU HA H 3.994 0.020 1 244 45 24 LEU HB2 H 1.568 0.020 2 245 45 24 LEU HB3 H 1.891 0.020 2 246 45 24 LEU HD1 H 0.585 0.020 2 247 45 24 LEU HD2 H 0.536 0.020 2 248 45 24 LEU HG H 1.270 0.020 1 249 45 24 LEU C C 179.915 0.400 1 250 45 24 LEU CA C 58.272 0.400 1 251 45 24 LEU CB C 42.305 0.400 1 252 45 24 LEU CD1 C 26.392 0.400 1 253 45 24 LEU CD2 C 23.353 0.400 1 254 45 24 LEU CG C 27.057 0.400 1 255 45 24 LEU N N 119.616 0.400 1 256 46 25 CYS H H 8.258 0.020 1 257 46 25 CYS HA H 4.034 0.020 1 258 46 25 CYS HB2 H 2.556 0.020 2 259 46 25 CYS HB3 H 2.796 0.020 2 260 46 25 CYS C C 177.092 0.400 1 261 46 25 CYS CA C 64.226 0.400 1 262 46 25 CYS CB C 27.390 0.400 1 263 46 25 CYS N N 114.285 0.400 1 264 47 26 SER H H 8.636 0.020 1 265 47 26 SER HA H 4.820 0.020 1 266 47 26 SER HB2 H 3.848 0.020 2 267 47 26 SER HB3 H 3.992 0.020 2 268 47 26 SER C C 175.550 0.400 1 269 47 26 SER CA C 61.056 0.400 1 270 47 26 SER CB C 63.095 0.400 1 271 47 26 SER N N 116.197 0.400 1 272 48 27 ASN H H 7.264 0.020 1 273 48 27 ASN HA H 4.472 0.020 1 274 48 27 ASN HB2 H 2.801 0.020 2 275 48 27 ASN HB3 H 2.736 0.020 2 276 48 27 ASN HD21 H 7.422 0.020 2 277 48 27 ASN HD22 H 6.915 0.020 2 278 48 27 ASN C C 176.308 0.400 1 279 48 27 ASN CA C 54.398 0.400 1 280 48 27 ASN CB C 38.808 0.400 1 281 48 27 ASN N N 116.895 0.400 1 282 48 27 ASN ND2 N 113.725 0.400 1 283 49 28 VAL H H 7.688 0.020 1 284 49 28 VAL HA H 3.897 0.020 1 285 49 28 VAL HB H 2.327 0.020 1 286 49 28 VAL HG1 H 0.810 0.020 2 287 49 28 VAL HG2 H 0.566 0.020 2 288 49 28 VAL C C 176.491 0.400 1 289 49 28 VAL CA C 63.739 0.400 1 290 49 28 VAL CB C 31.939 0.400 1 291 49 28 VAL CG1 C 21.174 0.400 1 292 49 28 VAL CG2 C 22.156 0.400 1 293 49 28 VAL N N 117.363 0.400 1 294 50 29 GLY H H 7.890 0.020 1 295 50 29 GLY N N 107.067 0.400 1 296 51 30 PRO HA H 4.420 0.020 1 297 51 30 PRO HB2 H 1.785 0.020 2 298 51 30 PRO HB3 H 2.221 0.020 2 299 51 30 PRO C C 176.752 0.400 1 300 52 31 VAL H H 8.604 0.020 1 301 52 31 VAL HA H 3.612 0.020 1 302 52 31 VAL HB H 1.660 0.020 1 303 52 31 VAL HG1 H 0.480 0.020 2 304 52 31 VAL HG2 H 0.377 0.020 2 305 52 31 VAL C C 176.962 0.400 1 306 52 31 VAL CA C 62.167 0.400 1 307 52 31 VAL CB C 33.564 0.400 1 308 52 31 VAL CG1 C 22.146 0.400 1 309 52 31 VAL CG2 C 21.893 0.400 1 310 52 31 VAL N N 126.894 0.400 1 311 53 32 ILE H H 8.968 0.020 1 312 53 32 ILE HA H 4.148 0.020 1 313 53 32 ILE HB H 1.562 0.020 1 314 53 32 ILE HD1 H 0.660 0.020 1 315 53 32 ILE HG12 H 0.886 0.020 2 316 53 32 ILE HG13 H 1.170 0.020 2 317 53 32 ILE HG2 H 0.732 0.020 1 318 53 32 ILE C C 175.916 0.400 1 319 53 32 ILE CA C 60.808 0.400 1 320 53 32 ILE CB C 38.342 0.400 1 321 53 32 ILE CD1 C 11.359 0.400 1 322 53 32 ILE CG1 C 26.564 0.400 1 323 53 32 ILE CG2 C 17.186 0.400 1 324 53 32 ILE N N 124.942 0.400 1 325 54 33 ASN H H 7.445 0.020 1 326 54 33 ASN HA H 4.766 0.020 1 327 54 33 ASN HB2 H 2.411 0.020 2 328 54 33 ASN HB3 H 2.621 0.020 2 329 54 33 ASN HD21 H 7.763 0.020 2 330 54 33 ASN HD22 H 6.802 0.020 2 331 54 33 ASN C C 172.100 0.400 1 332 54 33 ASN CA C 51.989 0.400 1 333 54 33 ASN CB C 42.773 0.400 1 334 54 33 ASN N N 115.385 0.400 1 335 54 33 ASN ND2 N 113.760 0.400 1 336 55 34 LEU H H 8.492 0.020 1 337 55 34 LEU HA H 4.780 0.020 1 338 55 34 LEU HB2 H 1.571 0.020 2 339 55 34 LEU HB3 H 1.334 0.020 2 340 55 34 LEU HD1 H 0.640 0.020 2 341 55 34 LEU HD2 H 0.704 0.020 2 342 55 34 LEU HG H 1.442 0.020 1 343 55 34 LEU C C 174.322 0.400 1 344 55 34 LEU CA C 55.360 0.400 1 345 55 34 LEU CB C 45.146 0.400 1 346 55 34 LEU CD1 C 27.009 0.400 1 347 55 34 LEU CD2 C 25.895 0.400 1 348 55 34 LEU CG C 27.800 0.400 1 349 55 34 LEU N N 123.577 0.400 1 350 56 35 LYS H H 9.165 0.020 1 351 56 35 LYS HA H 4.661 0.020 1 352 56 35 LYS HB2 H 1.855 0.020 2 353 56 35 LYS HB3 H 1.855 0.020 2 354 56 35 LYS HD2 H 1.657 0.020 2 355 56 35 LYS HD3 H 1.657 0.020 2 356 56 35 LYS HE2 H 2.959 0.020 2 357 56 35 LYS HE3 H 2.959 0.020 2 358 56 35 LYS HG2 H 1.358 0.020 2 359 56 35 LYS HG3 H 1.294 0.020 2 360 56 35 LYS C C 174.635 0.400 1 361 56 35 LYS CA C 54.918 0.400 1 362 56 35 LYS CB C 35.615 0.400 1 363 56 35 LYS CD C 29.422 0.400 1 364 56 35 LYS CE C 42.209 0.400 1 365 56 35 LYS CG C 24.577 0.400 1 366 56 35 LYS N N 126.309 0.400 1 367 57 36 MET H H 9.063 0.020 1 368 57 36 MET HA H 4.296 0.020 1 369 57 36 MET HB2 H 1.538 0.020 2 370 57 36 MET HB3 H 1.884 0.020 2 371 57 36 MET HE H 1.691 0.020 1 372 57 36 MET HG2 H 2.021 0.020 2 373 57 36 MET HG3 H 1.469 0.020 2 374 57 36 MET C C 174.714 0.400 1 375 57 36 MET CA C 54.528 0.400 1 376 57 36 MET CB C 34.458 0.400 1 377 57 36 MET CE C 17.257 0.400 1 378 57 36 MET CG C 35.401 0.400 1 379 57 36 MET N N 127.038 0.400 1 380 58 37 MET H H 7.553 0.020 1 381 58 37 MET HA H 4.688 0.020 1 382 58 37 MET HB2 H 1.163 0.020 2 383 58 37 MET HB3 H 1.391 0.020 2 384 58 37 MET HE H 2.049 0.020 1 385 58 37 MET HG2 H 2.092 0.020 2 386 58 37 MET HG3 H 2.291 0.020 2 387 58 37 MET C C 175.080 0.400 1 388 58 37 MET CA C 53.689 0.400 1 389 58 37 MET CB C 31.080 0.400 1 390 58 37 MET CE C 17.251 0.400 1 391 58 37 MET N N 121.603 0.400 1 392 59 38 PHE H H 8.495 0.020 1 393 59 38 PHE HA H 4.812 0.020 1 394 59 38 PHE HB2 H 2.798 0.020 2 395 59 38 PHE HB3 H 2.564 0.020 2 396 59 38 PHE HD1 H 6.689 0.020 1 397 59 38 PHE HD2 H 6.689 0.020 1 398 59 38 PHE HE1 H 7.042 0.020 1 399 59 38 PHE HE2 H 7.042 0.020 1 400 59 38 PHE C C 175.524 0.400 1 401 59 38 PHE CA C 56.212 0.400 1 402 59 38 PHE CB C 42.029 0.400 1 403 59 38 PHE N N 120.427 0.400 1 404 60 39 ASP H H 8.995 0.020 1 405 60 39 ASP HA H 4.706 0.020 1 406 60 39 ASP HB2 H 2.590 0.020 2 407 60 39 ASP HB3 H 2.735 0.020 2 408 60 39 ASP CA C 51.731 0.400 1 409 60 39 ASP CB C 42.542 0.400 1 410 60 39 ASP N N 123.496 0.400 1 411 61 40 PRO HA H 4.346 0.020 1 412 61 40 PRO HB2 H 1.968 0.020 2 413 61 40 PRO HB3 H 2.328 0.020 2 414 61 40 PRO HD2 H 3.892 0.020 2 415 61 40 PRO HD3 H 4.062 0.020 2 416 61 40 PRO HG2 H 2.047 0.020 2 417 61 40 PRO HG3 H 2.047 0.020 2 418 61 40 PRO C C 178.138 0.400 1 419 61 40 PRO CA C 64.382 0.400 1 420 61 40 PRO CB C 32.301 0.400 1 421 61 40 PRO CD C 51.362 0.400 1 422 61 40 PRO CG C 27.352 0.400 1 423 62 41 GLN H H 8.386 0.020 1 424 62 41 GLN HA H 4.263 0.020 1 425 62 41 GLN HB2 H 2.107 0.020 2 426 62 41 GLN HB3 H 2.168 0.020 2 427 62 41 GLN HE21 H 6.663 0.020 2 428 62 41 GLN HE22 H 7.353 0.020 2 429 62 41 GLN HG2 H 2.296 0.020 2 430 62 41 GLN HG3 H 2.356 0.020 2 431 62 41 GLN C C 178.033 0.400 1 432 62 41 GLN CA C 57.836 0.400 1 433 62 41 GLN CB C 29.232 0.400 1 434 62 41 GLN CG C 34.755 0.400 1 435 62 41 GLN N N 115.725 0.400 1 436 62 41 GLN NE2 N 111.553 0.400 1 437 63 42 THR H H 7.844 0.020 1 438 63 42 THR HA H 4.350 0.020 1 439 63 42 THR HB H 4.239 0.020 1 440 63 42 THR HG2 H 1.113 0.020 1 441 63 42 THR C C 176.883 0.400 1 442 63 42 THR CA C 61.650 0.400 1 443 63 42 THR CB C 71.023 0.400 1 444 63 42 THR CG2 C 21.433 0.400 1 445 63 42 THR N N 106.015 0.400 1 446 64 43 GLY H H 8.412 0.020 1 447 64 43 GLY HA2 H 4.077 0.020 2 448 64 43 GLY HA3 H 3.693 0.020 2 449 64 43 GLY C C 174.034 0.400 1 450 64 43 GLY CA C 45.696 0.400 1 451 64 43 GLY N N 110.882 0.400 1 452 65 44 ARG H H 7.726 0.020 1 453 65 44 ARG HA H 4.308 0.020 1 454 65 44 ARG HB2 H 1.558 0.020 2 455 65 44 ARG HB3 H 1.740 0.020 2 456 65 44 ARG HD2 H 2.971 0.020 2 457 65 44 ARG HD3 H 2.971 0.020 2 458 65 44 ARG HG2 H 1.571 0.020 2 459 65 44 ARG HG3 H 1.571 0.020 2 460 65 44 ARG C C 176.700 0.400 1 461 65 44 ARG CA C 56.035 0.400 1 462 65 44 ARG CB C 31.420 0.400 1 463 65 44 ARG CD C 43.487 0.400 1 464 65 44 ARG CG C 27.395 0.400 1 465 65 44 ARG N N 119.005 0.400 1 466 66 45 SER H H 8.860 0.020 1 467 66 45 SER HA H 4.033 0.020 1 468 66 45 SER HB2 H 3.889 0.020 2 469 66 45 SER HB3 H 3.889 0.020 2 470 66 45 SER C C 175.890 0.400 1 471 66 45 SER CA C 58.320 0.400 1 472 66 45 SER CB C 63.648 0.400 1 473 66 45 SER N N 116.886 0.400 1 474 67 46 LYS H H 8.511 0.020 1 475 67 46 LYS HA H 4.290 0.020 1 476 67 46 LYS HE2 H 2.929 0.020 2 477 67 46 LYS HE3 H 2.929 0.020 2 478 67 46 LYS C C 178.216 0.400 1 479 67 46 LYS CA C 55.781 0.400 1 480 67 46 LYS CE C 41.895 0.400 1 481 67 46 LYS N N 121.784 0.400 1 482 68 47 GLY H H 9.124 0.020 1 483 68 47 GLY HA2 H 4.185 0.020 2 484 68 47 GLY HA3 H 3.495 0.020 2 485 68 47 GLY C C 175.311 0.400 1 486 68 47 GLY CA C 46.345 0.400 1 487 68 47 GLY N N 107.203 0.400 1 488 69 48 TYR H H 7.008 0.020 1 489 69 48 TYR HA H 5.286 0.020 1 490 69 48 TYR HB2 H 2.559 0.020 2 491 69 48 TYR HB3 H 2.972 0.020 2 492 69 48 TYR HD1 H 6.557 0.020 1 493 69 48 TYR HD2 H 6.557 0.020 1 494 69 48 TYR HE1 H 6.152 0.020 1 495 69 48 TYR HE2 H 6.152 0.020 1 496 69 48 TYR C C 175.550 0.400 1 497 69 48 TYR CA C 55.436 0.400 1 498 69 48 TYR CB C 40.833 0.400 1 499 69 48 TYR N N 111.831 0.400 1 500 70 49 ALA H H 8.789 0.020 1 501 70 49 ALA HA H 4.657 0.020 1 502 70 49 ALA HB H 0.934 0.020 1 503 70 49 ALA C C 174.060 0.400 1 504 70 49 ALA CA C 50.122 0.400 1 505 70 49 ALA CB C 23.534 0.400 1 506 70 49 ALA N N 120.731 0.400 1 507 71 50 PHE H H 8.333 0.020 1 508 71 50 PHE HA H 5.540 0.020 1 509 71 50 PHE HB2 H 2.578 0.020 2 510 71 50 PHE HB3 H 2.728 0.020 2 511 71 50 PHE HD1 H 7.108 0.020 1 512 71 50 PHE HD2 H 7.108 0.020 1 513 71 50 PHE HE1 H 7.479 0.020 1 514 71 50 PHE HE2 H 7.479 0.020 1 515 71 50 PHE C C 175.446 0.400 1 516 71 50 PHE CA C 55.945 0.400 1 517 71 50 PHE CB C 41.668 0.400 1 518 71 50 PHE N N 114.987 0.400 1 519 72 51 ILE H H 9.103 0.020 1 520 72 51 ILE HA H 4.335 0.020 1 521 72 51 ILE HB H 1.468 0.020 1 522 72 51 ILE HD1 H 0.514 0.020 1 523 72 51 ILE HG12 H 1.127 0.020 2 524 72 51 ILE HG13 H 1.127 0.020 2 525 72 51 ILE HG2 H 0.093 0.020 1 526 72 51 ILE C C 173.538 0.400 1 527 72 51 ILE CA C 61.083 0.400 1 528 72 51 ILE CB C 41.092 0.400 1 529 72 51 ILE CD1 C 17.823 0.400 1 530 72 51 ILE CG1 C 28.742 0.400 1 531 72 51 ILE CG2 C 21.685 0.400 1 532 72 51 ILE N N 122.198 0.400 1 533 73 52 GLU H H 8.829 0.020 1 534 73 52 GLU HA H 4.961 0.020 1 535 73 52 GLU HB2 H 1.894 0.020 2 536 73 52 GLU HB3 H 1.674 0.020 2 537 73 52 GLU C C 175.811 0.400 1 538 73 52 GLU CA C 54.101 0.400 1 539 73 52 GLU CB C 32.299 0.400 1 540 73 52 GLU N N 126.808 0.400 1 541 74 53 PHE H H 9.077 0.020 1 542 74 53 PHE HA H 4.958 0.020 1 543 74 53 PHE HB2 H 2.941 0.020 2 544 74 53 PHE HB3 H 3.347 0.020 2 545 74 53 PHE HD1 H 7.033 0.020 1 546 74 53 PHE HD2 H 7.033 0.020 1 547 74 53 PHE HE1 H 7.244 0.020 1 548 74 53 PHE HE2 H 7.244 0.020 1 549 74 53 PHE HZ H 6.652 0.020 1 550 74 53 PHE C C 176.308 0.400 1 551 74 53 PHE CA C 58.678 0.400 1 552 74 53 PHE CB C 42.134 0.400 1 553 74 53 PHE N N 126.039 0.400 1 554 75 54 ARG H H 8.458 0.020 1 555 75 54 ARG HA H 3.868 0.020 1 556 75 54 ARG HB2 H 1.831 0.020 2 557 75 54 ARG HB3 H 1.698 0.020 2 558 75 54 ARG HD2 H 3.152 0.020 2 559 75 54 ARG HD3 H 3.152 0.020 2 560 75 54 ARG C C 175.393 0.400 1 561 75 54 ARG CA C 58.754 0.400 1 562 75 54 ARG CB C 31.998 0.400 1 563 75 54 ARG CD C 43.929 0.400 1 564 75 54 ARG N N 116.945 0.400 1 565 76 55 ASP H H 7.593 0.020 1 566 76 55 ASP HA H 4.820 0.020 1 567 76 55 ASP HB2 H 2.778 0.020 2 568 76 55 ASP HB3 H 3.100 0.020 2 569 76 55 ASP C C 175.367 0.400 1 570 76 55 ASP CB C 43.968 0.400 1 571 76 55 ASP N N 110.013 0.400 1 572 77 56 LEU H H 8.535 0.020 1 573 77 56 LEU HA H 4.399 0.020 1 574 77 56 LEU HB2 H 1.588 0.020 2 575 77 56 LEU HB3 H 1.653 0.020 2 576 77 56 LEU HD1 H 0.794 0.020 2 577 77 56 LEU HD2 H 0.556 0.020 2 578 77 56 LEU HG H 1.386 0.020 1 579 77 56 LEU C C 180.098 0.400 1 580 77 56 LEU CA C 56.323 0.400 1 581 77 56 LEU N N 119.358 0.400 1 582 78 57 GLU H H 8.602 0.020 1 583 78 57 GLU HA H 4.025 0.020 1 584 78 57 GLU HB2 H 1.922 0.020 2 585 78 57 GLU HB3 H 2.037 0.020 2 586 78 57 GLU HG2 H 2.299 0.020 2 587 78 57 GLU HG3 H 2.266 0.020 2 588 78 57 GLU C C 180.386 0.400 1 589 78 57 GLU CA C 59.740 0.400 1 590 78 57 GLU CB C 28.284 0.400 1 591 78 57 GLU CG C 36.562 0.400 1 592 78 57 GLU N N 120.976 0.400 1 593 79 58 SER H H 8.333 0.020 1 594 79 58 SER HA H 4.016 0.020 1 595 79 58 SER HB2 H 3.349 0.020 2 596 79 58 SER HB3 H 3.968 0.020 2 597 79 58 SER C C 175.446 0.400 1 598 79 58 SER CA C 61.891 0.400 1 599 79 58 SER CB C 62.397 0.400 1 600 79 58 SER N N 116.198 0.400 1 601 80 59 SER H H 7.858 0.020 1 602 80 59 SER HA H 4.055 0.020 1 603 80 59 SER HB2 H 3.529 0.020 2 604 80 59 SER HB3 H 3.529 0.020 2 605 80 59 SER C C 176.726 0.400 1 606 80 59 SER CA C 61.808 0.400 1 607 80 59 SER CB C 63.278 0.400 1 608 80 59 SER N N 116.657 0.400 1 609 81 60 ALA H H 8.069 0.020 1 610 81 60 ALA HA H 4.315 0.020 1 611 81 60 ALA HB H 1.460 0.020 1 612 81 60 ALA C C 181.588 0.400 1 613 81 60 ALA CA C 54.990 0.400 1 614 81 60 ALA CB C 17.678 0.400 1 615 81 60 ALA N N 123.913 0.400 1 616 82 61 SER H H 7.507 0.020 1 617 82 61 SER HA H 4.009 0.020 1 618 82 61 SER HB2 H 3.861 0.020 2 619 82 61 SER HB3 H 3.838 0.020 2 620 82 61 SER C C 177.040 0.400 1 621 82 61 SER CA C 60.476 0.400 1 622 82 61 SER CB C 62.566 0.400 1 623 82 61 SER N N 113.457 0.400 1 624 83 62 ALA H H 7.960 0.020 1 625 83 62 ALA HA H 3.692 0.020 1 626 83 62 ALA HB H 1.189 0.020 1 627 83 62 ALA C C 178.582 0.400 1 628 83 62 ALA CA C 55.819 0.400 1 629 83 62 ALA CB C 18.679 0.400 1 630 83 62 ALA N N 124.244 0.400 1 631 84 63 VAL H H 7.834 0.020 1 632 84 63 VAL HA H 3.215 0.020 1 633 84 63 VAL HB H 1.743 0.020 1 634 84 63 VAL HG1 H 0.603 0.020 2 635 84 63 VAL HG2 H 0.230 0.020 2 636 84 63 VAL C C 178.399 0.400 1 637 84 63 VAL CA C 66.917 0.400 1 638 84 63 VAL CB C 31.447 0.400 1 639 84 63 VAL CG1 C 21.055 0.400 1 640 84 63 VAL CG2 C 21.714 0.400 1 641 84 63 VAL N N 116.738 0.400 1 642 85 64 ARG H H 7.497 0.020 1 643 85 64 ARG HA H 4.017 0.020 1 644 85 64 ARG HB2 H 1.843 0.020 2 645 85 64 ARG HB3 H 1.843 0.020 2 646 85 64 ARG C C 178.321 0.400 1 647 85 64 ARG CB C 30.797 0.400 1 648 85 64 ARG N N 115.866 0.400 1 649 86 65 ASN H H 8.417 0.020 1 650 86 65 ASN HA H 4.634 0.020 1 651 86 65 ASN HB2 H 2.559 0.020 2 652 86 65 ASN HB3 H 3.112 0.020 2 653 86 65 ASN HD21 H 7.267 0.020 2 654 86 65 ASN HD22 H 6.963 0.020 2 655 86 65 ASN C C 177.354 0.400 1 656 86 65 ASN CA C 54.930 0.400 1 657 86 65 ASN CB C 39.743 0.400 1 658 86 65 ASN N N 113.205 0.400 1 659 86 65 ASN ND2 N 113.783 0.400 1 660 87 66 LEU H H 8.934 0.020 1 661 87 66 LEU HA H 4.412 0.020 1 662 87 66 LEU HB2 H 2.011 0.020 2 663 87 66 LEU HB3 H 2.011 0.020 2 664 87 66 LEU HD1 H 0.258 0.020 2 665 87 66 LEU HD2 H 0.780 0.020 2 666 87 66 LEU HG H 1.464 0.020 1 667 87 66 LEU C C 177.902 0.400 1 668 87 66 LEU CA C 55.367 0.400 1 669 87 66 LEU N N 115.688 0.400 1 670 88 67 ASN H H 6.750 0.020 1 671 88 67 ASN HA H 4.372 0.020 1 672 88 67 ASN HB2 H 2.983 0.020 2 673 88 67 ASN HB3 H 3.085 0.020 2 674 88 67 ASN HD21 H 7.749 0.020 2 675 88 67 ASN HD22 H 7.053 0.020 2 676 88 67 ASN C C 175.811 0.400 1 677 88 67 ASN CA C 55.082 0.400 1 678 88 67 ASN CB C 38.226 0.400 1 679 88 67 ASN N N 115.041 0.400 1 680 88 67 ASN ND2 N 114.690 0.400 1 681 89 68 GLY H H 9.155 0.020 1 682 89 68 GLY HA2 H 3.588 0.020 2 683 89 68 GLY HA3 H 4.255 0.020 2 684 89 68 GLY C C 173.355 0.400 1 685 89 68 GLY CA C 45.364 0.400 1 686 89 68 GLY N N 117.549 0.400 1 687 90 69 TYR H H 7.376 0.020 1 688 90 69 TYR HA H 4.103 0.020 1 689 90 69 TYR HB2 H 3.160 0.020 2 690 90 69 TYR HB3 H 2.928 0.020 2 691 90 69 TYR HD1 H 6.856 0.020 1 692 90 69 TYR HD2 H 6.856 0.020 1 693 90 69 TYR HE1 H 6.632 0.020 1 694 90 69 TYR HE2 H 6.632 0.020 1 695 90 69 TYR C C 174.844 0.400 1 696 90 69 TYR CA C 58.625 0.400 1 697 90 69 TYR CB C 40.024 0.400 1 698 90 69 TYR N N 122.501 0.400 1 699 91 70 GLN H H 7.929 0.020 1 700 91 70 GLN HA H 4.262 0.020 1 701 91 70 GLN HB2 H 1.617 0.020 2 702 91 70 GLN HB3 H 1.446 0.020 2 703 91 70 GLN HE21 H 6.889 0.020 2 704 91 70 GLN HE22 H 6.481 0.020 2 705 91 70 GLN HG2 H 1.214 0.020 2 706 91 70 GLN HG3 H 1.214 0.020 2 707 91 70 GLN C C 173.302 0.400 1 708 91 70 GLN CA C 55.284 0.400 1 709 91 70 GLN CB C 27.859 0.400 1 710 91 70 GLN N N 128.835 0.400 1 711 91 70 GLN NE2 N 109.417 0.400 1 712 92 71 LEU H H 8.310 0.020 1 713 92 71 LEU HA H 4.468 0.020 1 714 92 71 LEU HB2 H 1.684 0.020 2 715 92 71 LEU HB3 H 1.109 0.020 2 716 92 71 LEU HD1 H 0.954 0.020 2 717 92 71 LEU HD2 H 0.784 0.020 2 718 92 71 LEU HG H 1.359 0.020 1 719 92 71 LEU C C 175.184 0.400 1 720 92 71 LEU CA C 53.242 0.400 1 721 92 71 LEU CB C 44.586 0.400 1 722 92 71 LEU CD1 C 23.704 0.400 1 723 92 71 LEU CD2 C 26.075 0.400 1 724 92 71 LEU CG C 27.766 0.400 1 725 92 71 LEU N N 130.769 0.400 1 726 93 72 GLY H H 8.609 0.020 1 727 93 72 GLY HA2 H 3.881 0.020 2 728 93 72 GLY HA3 H 3.480 0.020 2 729 93 72 GLY C C 172.152 0.400 1 730 93 72 GLY CA C 46.879 0.400 1 731 93 72 GLY N N 113.797 0.400 1 732 94 73 SER H H 8.793 0.020 1 733 94 73 SER HA H 4.338 0.020 1 734 94 73 SER HB2 H 3.897 0.020 2 735 94 73 SER HB3 H 3.897 0.020 2 736 94 73 SER C C 174.034 0.400 1 737 94 73 SER CA C 57.985 0.400 1 738 94 73 SER CB C 63.217 0.400 1 739 94 73 SER N N 120.973 0.400 1 740 95 74 ARG H H 7.685 0.020 1 741 95 74 ARG HA H 4.422 0.020 1 742 95 74 ARG HB2 H 1.621 0.020 2 743 95 74 ARG HB3 H 1.908 0.020 2 744 95 74 ARG HD2 H 2.861 0.020 2 745 95 74 ARG HD3 H 2.861 0.020 2 746 95 74 ARG HG2 H 1.318 0.020 2 747 95 74 ARG HG3 H 1.440 0.020 2 748 95 74 ARG C C 173.825 0.400 1 749 95 74 ARG CA C 54.528 0.400 1 750 95 74 ARG CB C 33.015 0.400 1 751 95 74 ARG N N 120.153 0.400 1 752 96 75 PHE H H 8.299 0.020 1 753 96 75 PHE HA H 4.766 0.020 1 754 96 75 PHE HB2 H 2.718 0.020 2 755 96 75 PHE HB3 H 2.547 0.020 2 756 96 75 PHE HD1 H 7.079 0.020 1 757 96 75 PHE HD2 H 7.079 0.020 1 758 96 75 PHE HE1 H 7.150 0.020 1 759 96 75 PHE HE2 H 7.150 0.020 1 760 96 75 PHE C C 176.230 0.400 1 761 96 75 PHE CA C 56.609 0.400 1 762 96 75 PHE CB C 41.209 0.400 1 763 96 75 PHE N N 117.999 0.400 1 764 97 76 LEU H H 9.179 0.020 1 765 97 76 LEU HA H 4.309 0.020 1 766 97 76 LEU HB2 H 1.995 0.020 2 767 97 76 LEU HB3 H 1.995 0.020 2 768 97 76 LEU HD1 H 0.712 0.020 2 769 97 76 LEU HD2 H 0.851 0.020 2 770 97 76 LEU HG H 1.323 0.020 1 771 97 76 LEU C C 177.458 0.400 1 772 97 76 LEU CA C 54.931 0.400 1 773 97 76 LEU CD1 C 21.111 0.400 1 774 97 76 LEU N N 121.645 0.400 1 775 98 77 LYS H H 8.077 0.020 1 776 98 77 LYS HA H 4.039 0.020 1 777 98 77 LYS HB2 H 1.950 0.020 2 778 98 77 LYS HB3 H 1.950 0.020 2 779 98 77 LYS HD2 H 0.749 0.020 2 780 98 77 LYS HD3 H 0.749 0.020 2 781 98 77 LYS HE2 H 2.944 0.020 2 782 98 77 LYS HE3 H 2.944 0.020 2 783 98 77 LYS HG2 H 0.869 0.020 2 784 98 77 LYS HG3 H 0.869 0.020 2 785 98 77 LYS C C 175.106 0.400 1 786 98 77 LYS CA C 62.117 0.400 1 787 98 77 LYS CE C 42.036 0.400 1 788 98 77 LYS N N 121.084 0.400 1 789 99 78 CYS H H 8.605 0.020 1 790 99 78 CYS HA H 4.550 0.020 1 791 99 78 CYS CA C 53.325 0.400 1 792 99 78 CYS N N 123.512 0.400 1 793 100 79 GLY H H 8.010 0.020 1 794 100 79 GLY HA2 H 3.831 0.020 2 795 100 79 GLY HA3 H 4.201 0.020 2 796 100 79 GLY C C 171.786 0.400 1 797 100 79 GLY CA C 44.927 0.400 1 798 100 79 GLY N N 122.136 0.400 1 799 101 80 TYR H H 8.643 0.020 1 800 101 80 TYR HA H 4.591 0.020 1 801 101 80 TYR HB2 H 3.131 0.020 2 802 101 80 TYR HB3 H 3.022 0.020 2 803 101 80 TYR C C 177.667 0.400 1 804 101 80 TYR CA C 58.029 0.400 1 805 101 80 TYR N N 118.321 0.400 1 806 102 81 SER H H 8.897 0.020 1 807 102 81 SER HA H 4.900 0.020 1 808 102 81 SER HB2 H 3.759 0.020 2 809 102 81 SER HB3 H 3.938 0.020 2 810 102 81 SER C C 175.054 0.400 1 811 102 81 SER CA C 56.472 0.400 1 812 102 81 SER CB C 64.387 0.400 1 813 102 81 SER N N 116.653 0.400 1 814 103 82 SER H H 8.676 0.020 1 815 103 82 SER HA H 4.277 0.020 1 816 103 82 SER HB2 H 3.761 0.020 2 817 103 82 SER HB3 H 3.902 0.020 2 818 103 82 SER C C 174.661 0.400 1 819 103 82 SER CA C 58.624 0.400 1 820 103 82 SER CB C 63.571 0.400 1 821 103 82 SER N N 119.093 0.400 1 822 104 83 ASN H H 8.328 0.020 1 823 104 83 ASN HA H 4.645 0.020 1 824 104 83 ASN HB2 H 2.410 0.020 2 825 104 83 ASN HB3 H 2.673 0.020 2 826 104 83 ASN HD21 H 6.922 0.020 2 827 104 83 ASN HD22 H 6.761 0.020 2 828 104 83 ASN C C 175.498 0.400 1 829 104 83 ASN CA C 53.000 0.400 1 830 104 83 ASN CB C 39.606 0.400 1 831 104 83 ASN N N 120.075 0.400 1 832 104 83 ASN ND2 N 111.928 0.400 1 833 105 84 SER H H 8.511 0.020 1 834 105 84 SER HA H 4.285 0.020 1 835 105 84 SER HB2 H 3.770 0.020 2 836 105 84 SER HB3 H 3.770 0.020 2 837 105 84 SER C C 174.165 0.400 1 838 105 84 SER CA C 59.066 0.400 1 839 105 84 SER CB C 63.883 0.400 1 840 105 84 SER N N 116.161 0.400 1 stop_ save_