data_18534 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RDC REFINED SOLUTION STRUCTURE OF DOUBLE-STRANDED RNA BINDING DOMAIN OF S. CEREVISIAE RNASE III (RNT1P) IN COMPLEX WITH THE TERMINAL RNA HAIRPIN OF SNR47 PRECURSOR ; _BMRB_accession_number 18534 _BMRB_flat_file_name bmr18534.str _Entry_type original _Submission_date 2012-06-19 _Accession_date 2012-06-19 _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 Wang Zhonghua . . 2 Feigon Juli . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 672 "13C chemical shifts" 487 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-20 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18535 'Double Stranded RNA binding domain of Ribonuclease III (Rnt1p) apo form' stop_ _Original_release_date 2013-02-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of a yeast RNase III dsRBD complex with a noncanonical RNA substrate provides new insights into binding specificity of dsRBDs.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21742266 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Zhonghua . . 2 Hartman Elon . . 3 Roy Kevin . . 4 Chanfreau Guillaume . . 5 Feigon Juli . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 19 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 999 _Page_last 1010 _Year 2011 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference _Saveframe_category citation _Citation_full . _Citation_title 'STRUCTURE OF A YEAST RNASE III DSRBD COMPLEX WITH A NONCANONICAL RNA SUBSTRATE PROVIDES NEW INSIGHTS INTO BINDING SPECIFICITY OF DSRBDS.' _Citation_status published _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 Wang Zhonghua . . 2 Hartman Elon . . 3 Roy Kevin . . 4 Chanfreau Guillaume . . 5 Feigon Juli . . stop_ _Journal_abbreviation Structure _Journal_name_full . _Journal_volume 19 _Journal_issue 7 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 999 _Page_last 1010 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Ribonuclease III in complex with RNA (32-MER)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ribonuclease III' $Ribonuc_III 'RNA (32-MER)' $RNA 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_Ribonuc_III _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Ribonuclease III' _Molecular_mass 9822.442 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; GSLDMNAKRQLYSLIGYASL RLHYVTVKKPTAVDPNSIVE CRVGDGTVLGTGVGRNIKIA GIRAAENALRDKKMLDFYAK QRAAIPRSES ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 364 GLY 2 365 SER 3 366 LEU 4 367 ASP 5 368 MET 6 369 ASN 7 370 ALA 8 371 LYS 9 372 ARG 10 373 GLN 11 374 LEU 12 375 TYR 13 376 SER 14 377 LEU 15 378 ILE 16 379 GLY 17 380 TYR 18 381 ALA 19 382 SER 20 383 LEU 21 384 ARG 22 385 LEU 23 386 HIS 24 387 TYR 25 388 VAL 26 389 THR 27 390 VAL 28 391 LYS 29 392 LYS 30 393 PRO 31 394 THR 32 395 ALA 33 396 VAL 34 397 ASP 35 398 PRO 36 399 ASN 37 400 SER 38 401 ILE 39 402 VAL 40 403 GLU 41 404 CYS 42 405 ARG 43 406 VAL 44 407 GLY 45 408 ASP 46 409 GLY 47 410 THR 48 411 VAL 49 412 LEU 50 413 GLY 51 414 THR 52 415 GLY 53 416 VAL 54 417 GLY 55 418 ARG 56 419 ASN 57 420 ILE 58 421 LYS 59 422 ILE 60 423 ALA 61 424 GLY 62 425 ILE 63 426 ARG 64 427 ALA 65 428 ALA 66 429 GLU 67 430 ASN 68 431 ALA 69 432 LEU 70 433 ARG 71 434 ASP 72 435 LYS 73 436 LYS 74 437 MET 75 438 LEU 76 439 ASP 77 440 PHE 78 441 TYR 79 442 ALA 80 443 LYS 81 444 GLN 82 445 ARG 83 446 ALA 84 447 ALA 85 448 ILE 86 449 PRO 87 450 ARG 88 451 SER 89 452 GLU 90 453 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 17574 "yeast RNase III dsRBD" 100.00 90 100.00 100.00 1.29e-57 BMRB 18535 "Ribonuclease III" 100.00 90 100.00 100.00 1.29e-57 PDB 1T4L "Solution Structure Of Double-Stranded Rna Binding Domain Of S. Cerevisiae Rnase Iii (Rnt1p) In Complex With The 5' Terminal Rna" 100.00 90 100.00 100.00 1.29e-57 PDB 1T4N "Solution Structure Of Rnt1p Dsrbd" 91.11 94 100.00 100.00 1.48e-51 PDB 1T4O "Crystal Structure Of Rnt1p Dsrbd" 97.78 117 100.00 100.00 1.44e-56 PDB 2LBS "Solution Structure Of Double-Stranded Rna Binding Domain Of S. Cerevisiae Rnase Iii (Rnt1p) In Complex With Aagu Tetraloop Hair" 100.00 90 100.00 100.00 1.29e-57 PDB 2LUP "Rdc Refined Solution Structure Of Double-Stranded Rna Binding Domain Of S. Cerevisiae Rnase Iii (Rnt1p) In Complex With The Ter" 100.00 90 100.00 100.00 1.29e-57 PDB 2LUQ "Solution Structure Of Double-stranded Rna Binding Domain Of S.cerevisiae Rnase Iii (rnt1p)" 100.00 90 100.00 100.00 1.29e-57 PDB 4OOG "Crystal Structure Of Yeast Rnase Iii (rnt1p) Complexed With The Product Of Dsrna Processing" 97.78 261 100.00 100.00 1.12e-54 DBJ GAA25690 "K7_Rnt1p [Saccharomyces cerevisiae Kyokai no. 7]" 97.78 471 100.00 100.00 6.72e-51 EMBL CAA90210 "unknown [Saccharomyces cerevisiae]" 97.78 362 100.00 100.00 4.39e-52 EMBL CAY82070 "Rnt1p [Saccharomyces cerevisiae EC1118]" 97.78 471 98.86 98.86 3.23e-50 GB AAB04172 "Rnt1p [Saccharomyces cerevisiae]" 97.78 471 100.00 100.00 6.72e-51 GB AHY76694 "Rnt1p [Saccharomyces cerevisiae YJM993]" 97.78 471 100.00 100.00 6.72e-51 GB AJP40933 "Rnt1p [Saccharomyces cerevisiae YJM1078]" 97.78 471 100.00 100.00 8.20e-51 GB AJS62105 "Rnt1p [Saccharomyces cerevisiae YJM189]" 97.78 471 100.00 100.00 6.72e-51 GB AJS62540 "Rnt1p [Saccharomyces cerevisiae YJM193]" 97.78 471 100.00 100.00 6.72e-51 REF NP_013966 "Rnt1p [Saccharomyces cerevisiae S288c]" 97.78 471 100.00 100.00 6.72e-51 SP Q02555 "RecName: Full=Ribonuclease 3; AltName: Full=Ribonuclease III; Short=RNase III" 97.78 471 100.00 100.00 6.72e-51 TPG DAA10139 "TPA: Rnt1p [Saccharomyces cerevisiae S288c]" 97.78 471 100.00 100.00 6.72e-51 stop_ save_ save_RNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'RNA (32-MER)' _Molecular_mass 9822.442 _Mol_thiol_state 'not present' _Details . _Residue_count 32 _Mol_residue_sequence ; GGGAUACCAUGUUCAGAAGA ACGUGGUAUCUC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 G 4 A 5 U 6 A 7 C 8 C 9 A 10 U 11 G 12 U 13 U 14 C 15 A 16 G 17 A 18 A 19 G 20 A 21 A 22 C 23 G 24 U 25 G 26 G 27 U 28 A 29 U 30 C 31 U 32 C 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 _Strain _Variant _Gene_mnemonic $Ribonuc_III 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae YM9408.01C,YM9959.21 YMR239C RNT1 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 $Ribonuc_III 'recombinant technology' . Escherichia coli BL21 PGEX-2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM phosphate, Ph6.5, 150mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ribonuc_III 1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '20 mM phosphate, Ph6.5, 150mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ribonuc_III 1 mM '[U-100% 13C; U-100% 15N]' D2O 100 % '[U-100% 2H]' 'sodium chloride' 10 mM 'natural abundance' 'sodium phosphate' 150 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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' 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 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 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' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Ribonuclease III' _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 1 364 1 GLY HA2 H 3.817 0.02 2 2 364 1 GLY HA3 H 3.661 0.02 2 3 365 2 SER HA H 4.000 0.02 1 4 365 2 SER HB2 H 4.160 0.02 2 5 365 2 SER CA C 56.260 0.3 1 6 365 2 SER CB C 61.470 0.3 1 7 366 3 LEU H H 8.263 0.02 1 8 366 3 LEU HA H 4.332 0.02 1 9 366 3 LEU HB2 H 1.499 0.02 2 10 366 3 LEU HG H 1.474 0.02 1 11 366 3 LEU HD1 H .782 0.02 2 12 366 3 LEU HD2 H .810 0.02 2 13 366 3 LEU CA C 52.800 0.3 1 14 366 3 LEU CB C 40.360 0.3 1 15 366 3 LEU CG C 24.630 0.3 1 16 366 3 LEU CD1 C 22.040 0.3 1 17 366 3 LEU CD2 C 22.500 0.3 1 18 366 3 LEU N N 123.510 0.3 1 19 367 4 ASP H H 8.366 0.02 1 20 367 4 ASP HA H 4.503 0.02 1 21 367 4 ASP HB2 H 2.507 0.02 2 22 367 4 ASP HB3 H 2.762 0.02 2 23 367 4 ASP CA C 51.100 0.3 1 24 367 4 ASP CB C 38.100 0.3 1 25 367 4 ASP N N 121.910 0.3 1 26 368 5 MET H H 8.165 0.02 1 27 368 5 MET HA H 4.390 0.02 1 28 368 5 MET HB2 H 2.438 0.02 2 29 368 5 MET HB3 H 2.595 0.02 2 30 368 5 MET HG2 H 1.997 0.02 2 31 368 5 MET HG3 H 1.894 0.02 2 32 368 5 MET HE H 1.949 0.02 1 33 368 5 MET CA C 52.810 0.3 1 34 368 5 MET CB C 29.600 0.3 1 35 368 5 MET CG C 29.300 0.3 1 36 368 5 MET CE C 14.070 0.3 1 37 368 5 MET N N 120.640 0.3 1 38 369 6 ASN H H 8.252 0.02 1 39 369 6 ASN HA H 4.768 0.02 1 40 369 6 ASN HB2 H 2.760 0.02 2 41 369 6 ASN HB3 H 2.902 0.02 2 42 369 6 ASN HD21 H 6.925 0.02 2 43 369 6 ASN HD22 H 7.776 0.02 2 44 369 6 ASN CA C 50.400 0.3 1 45 369 6 ASN CB C 36.880 0.3 1 46 369 6 ASN N N 118.460 0.3 1 47 369 6 ASN ND2 N 114.020 0.3 1 48 370 7 ALA H H 8.245 0.02 1 49 370 7 ALA HA H 3.915 0.02 1 50 370 7 ALA HB H 1.425 0.02 1 51 370 7 ALA CA C 53.750 0.3 1 52 370 7 ALA CB C 17.660 0.3 1 53 370 7 ALA N N 122.570 0.3 1 54 371 8 LYS H H 7.908 0.02 1 55 371 8 LYS HA H 4.660 0.02 1 56 371 8 LYS HB2 H 1.718 0.02 2 57 371 8 LYS HG2 H 1.894 0.02 2 58 371 8 LYS HD2 H 1.635 0.02 2 59 371 8 LYS HE2 H 3.196 0.02 2 60 371 8 LYS CA C 57.740 0.3 1 61 371 8 LYS CB C 29.410 0.3 1 62 371 8 LYS N N 113.590 0.3 1 63 372 9 ARG H H 7.797 0.02 1 64 372 9 ARG HA H 4.092 0.02 1 65 372 9 ARG HB2 H 1.905 0.02 2 66 372 9 ARG HB3 H 1.667 0.02 2 67 372 9 ARG HG2 H 1.525 0.02 2 68 372 9 ARG HD2 H 3.036 0.02 2 69 372 9 ARG CA C 56.410 0.3 1 70 372 9 ARG CB C 27.350 0.3 1 71 372 9 ARG CG C 24.630 0.3 1 72 372 9 ARG CD C 41.080 0.3 1 73 372 9 ARG N N 120.930 0.3 1 74 373 10 GLN H H 8.479 0.02 1 75 373 10 GLN HA H 4.007 0.02 1 76 373 10 GLN HB2 H 1.960 0.02 2 77 373 10 GLN HB3 H 2.061 0.02 2 78 373 10 GLN HG2 H 2.257 0.02 2 79 373 10 GLN HE21 H 6.783 0.02 2 80 373 10 GLN HE22 H 7.051 0.02 2 81 373 10 GLN CA C 56.280 0.3 1 82 373 10 GLN CB C 25.930 0.3 1 83 373 10 GLN CG C 30.930 0.3 1 84 373 10 GLN N N 120.690 0.3 1 85 373 10 GLN NE2 N 109.820 0.3 1 86 374 11 LEU H H 8.310 0.02 1 87 374 11 LEU HA H 4.002 0.02 1 88 374 11 LEU HB2 H 1.393 0.02 2 89 374 11 LEU HB3 H 1.913 0.02 2 90 374 11 LEU HG H 1.936 0.02 1 91 374 11 LEU HD1 H .727 0.02 2 92 374 11 LEU HD2 H .862 0.02 2 93 374 11 LEU CA C 55.900 0.3 1 94 374 11 LEU CB C 39.480 0.3 1 95 374 11 LEU CG C 23.610 0.3 1 96 374 11 LEU CD1 C 21.480 0.3 1 97 374 11 LEU CD2 C 25.500 0.3 1 98 374 11 LEU N N 119.270 0.3 1 99 375 12 TYR H H 7.801 0.02 1 100 375 12 TYR HA H 3.436 0.02 1 101 375 12 TYR HB2 H 2.950 0.02 2 102 375 12 TYR HB3 H 3.070 0.02 2 103 375 12 TYR CA C 60.250 0.3 1 104 375 12 TYR CB C 35.630 0.3 1 105 375 12 TYR N N 117.830 0.3 1 106 376 13 SER H H 8.420 0.02 1 107 376 13 SER HA H 3.992 0.02 1 108 376 13 SER HB2 H 4.170 0.02 2 109 376 13 SER CA C 60.320 0.3 1 110 376 13 SER CB C 60.300 0.3 1 111 376 13 SER N N 114.370 0.3 1 112 377 14 LEU H H 7.476 0.02 1 113 377 14 LEU HA H 4.234 0.02 1 114 377 14 LEU HB2 H 1.836 0.02 2 115 377 14 LEU HB3 H 1.425 0.02 2 116 377 14 LEU HG H 1.740 0.02 1 117 377 14 LEU HD1 H .802 0.02 2 118 377 14 LEU HD2 H .822 0.02 2 119 377 14 LEU CA C 54.860 0.3 1 120 377 14 LEU CB C 41.510 0.3 1 121 377 14 LEU CG C 25.280 0.3 1 122 377 14 LEU CD1 C 20.590 0.3 1 123 377 14 LEU CD2 C 23.040 0.3 1 124 377 14 LEU N N 120.230 0.3 1 125 378 15 ILE H H 7.346 0.02 1 126 378 15 ILE HA H 4.484 0.02 1 127 378 15 ILE HB H 1.972 0.02 1 128 378 15 ILE HD1 H .363 0.02 1 129 378 15 ILE CA C 58.270 0.3 1 130 378 15 ILE CB C 38.750 0.3 1 131 378 15 ILE CD1 C 12.160 0.3 1 132 378 15 ILE N N 105.660 0.3 1 133 379 16 GLY H H 8.180 0.02 1 134 379 16 GLY HA2 H 3.103 0.02 2 135 379 16 GLY CA C 43.300 0.3 1 136 379 16 GLY N N 108.090 0.3 1 137 380 17 TYR H H 6.551 0.02 1 138 380 17 TYR HA H 4.611 0.02 1 139 380 17 TYR HB2 H 3.194 0.02 2 140 380 17 TYR CA C 53.800 0.3 1 141 380 17 TYR CB C 36.100 0.3 1 142 380 17 TYR N N 114.680 0.3 1 143 381 18 ALA HA H 4.114 0.02 1 144 381 18 ALA HB H 1.502 0.02 1 145 381 18 ALA CA C 54.430 0.3 1 146 381 18 ALA CB C 16.000 0.3 1 147 382 19 SER H H 8.498 0.02 1 148 382 19 SER HA H 4.187 0.02 1 149 382 19 SER HB2 H 3.941 0.02 2 150 382 19 SER HB3 H 4.030 0.02 2 151 382 19 SER CA C 57.460 0.3 1 152 382 19 SER CB C 60.450 0.3 1 153 382 19 SER N N 109.840 0.3 1 154 383 20 LEU H H 6.804 0.02 1 155 383 20 LEU HA H 3.704 0.02 1 156 383 20 LEU HB2 H 1.280 0.02 2 157 383 20 LEU HB3 H 1.330 0.02 2 158 383 20 LEU HG H 1.260 0.02 1 159 383 20 LEU HD1 H .584 0.02 2 160 383 20 LEU HD2 H .792 0.02 2 161 383 20 LEU CA C 53.420 0.3 1 162 383 20 LEU CB C 38.600 0.3 1 163 383 20 LEU CD1 C 24.150 0.3 1 164 383 20 LEU CD2 C 20.020 0.3 1 165 383 20 LEU N N 123.760 0.3 1 166 384 21 ARG H H 7.451 0.02 1 167 384 21 ARG HA H 3.762 0.02 1 168 384 21 ARG HB2 H 1.460 0.02 2 169 384 21 ARG HB3 H 1.386 0.02 2 170 384 21 ARG HG2 H 1.590 0.02 2 171 384 21 ARG HG3 H 1.780 0.02 2 172 384 21 ARG HD2 H 3.020 0.02 2 173 384 21 ARG CA C 53.760 0.3 1 174 384 21 ARG CB C 24.980 0.3 1 175 384 21 ARG CD C 40.880 0.3 1 176 384 21 ARG N N 113.050 0.3 1 177 385 22 LEU H H 8.360 0.02 1 178 385 22 LEU HA H 4.640 0.02 1 179 385 22 LEU HB2 H 1.662 0.02 2 180 385 22 LEU HB3 H 1.164 0.02 2 181 385 22 LEU HG H 1.220 0.02 1 182 385 22 LEU HD1 H .455 0.02 2 183 385 22 LEU HD2 H .588 0.02 2 184 385 22 LEU CA C 53.240 0.3 1 185 385 22 LEU CB C 40.400 0.3 1 186 385 22 LEU CG C 25.030 0.3 1 187 385 22 LEU CD1 C 23.300 0.3 1 188 385 22 LEU CD2 C 23.330 0.3 1 189 385 22 LEU N N 124.080 0.3 1 190 386 23 HIS H H 9.341 0.02 1 191 386 23 HIS HA H 4.825 0.02 1 192 386 23 HIS HB2 H 3.057 0.02 2 193 386 23 HIS HB3 H 2.943 0.02 2 194 386 23 HIS HD1 H 6.650 0.02 1 195 386 23 HIS HE1 H 7.564 0.02 1 196 386 23 HIS CA C 52.520 0.3 1 197 386 23 HIS CB C 27.960 0.3 1 198 386 23 HIS N N 124.430 0.3 1 199 387 24 TYR H H 8.583 0.02 1 200 387 24 TYR HA H 4.980 0.02 1 201 387 24 TYR HB2 H 2.490 0.02 2 202 387 24 TYR HB3 H 2.680 0.02 2 203 387 24 TYR HE1 H 6.847 0.02 3 204 387 24 TYR CA C 54.910 0.3 1 205 387 24 TYR CB C 36.780 0.3 1 206 387 24 TYR N N 118.930 0.3 1 207 388 25 VAL H H 9.177 0.02 1 208 388 25 VAL HA H 4.256 0.02 1 209 388 25 VAL HB H 1.691 0.02 1 210 388 25 VAL CA C 58.430 0.3 1 211 388 25 VAL CB C 33.200 0.3 1 212 388 25 VAL CG1 C 18.360 0.3 1 213 388 25 VAL CG2 C 19.760 0.3 1 214 388 25 VAL N N 123.980 0.3 1 215 389 26 THR H H 9.153 0.02 1 216 389 26 THR HA H 4.350 0.02 1 217 389 26 THR HB H 4.080 0.02 1 218 389 26 THR CA C 60.810 0.3 1 219 389 26 THR CB C 65.130 0.3 1 220 389 26 THR CG2 C 20.810 0.3 1 221 389 26 THR N N 126.070 0.3 1 222 390 27 VAL H H 8.612 0.02 1 223 390 27 VAL HA H 4.090 0.02 1 224 390 27 VAL HB H 1.879 0.02 1 225 390 27 VAL CA C 60.230 0.3 1 226 390 27 VAL CB C 29.630 0.3 1 227 390 27 VAL CG1 C 17.860 0.3 1 228 390 27 VAL CG2 C 18.500 0.3 1 229 390 27 VAL N N 127.010 0.3 1 230 391 28 LYS H H 7.774 0.02 1 231 391 28 LYS HA H 4.489 0.02 1 232 391 28 LYS HB2 H 1.427 0.02 2 233 391 28 LYS HG2 H 1.790 0.02 2 234 391 28 LYS HD2 H 1.390 0.02 2 235 391 28 LYS HD3 H 1.700 0.02 2 236 391 28 LYS HE2 H 2.948 0.02 2 237 391 28 LYS CA C 53.810 0.3 1 238 391 28 LYS CB C 33.380 0.3 1 239 391 28 LYS CG C 33.400 0.3 1 240 391 28 LYS CD C 26.450 0.3 1 241 391 28 LYS CE C 39.500 0.3 1 242 391 28 LYS N N 121.300 0.3 1 243 392 29 LYS H H 8.630 0.02 1 244 392 29 LYS HA H 4.509 0.02 1 245 392 29 LYS HB2 H 1.813 0.02 2 246 392 29 LYS HG2 H 1.658 0.02 2 247 392 29 LYS HD2 H 1.448 0.02 2 248 392 29 LYS HE2 H 2.957 0.02 2 249 392 29 LYS CA C 51.820 0.3 1 250 392 29 LYS CB C 29.810 0.3 1 251 392 29 LYS CG C 26.590 0.3 1 252 392 29 LYS CD C 22.500 0.3 1 253 392 29 LYS CE C 39.630 0.3 1 254 392 29 LYS N N 127.350 0.3 1 255 393 30 PRO HA H 4.368 0.02 1 256 393 30 PRO HB2 H 2.073 0.02 2 257 393 30 PRO HG2 H 1.971 0.02 2 258 393 30 PRO HG3 H 1.879 0.02 2 259 393 30 PRO HD2 H 3.620 0.02 2 260 393 30 PRO HD3 H 3.386 0.02 2 261 393 30 PRO CA C 61.200 0.3 1 262 393 30 PRO CB C 29.960 0.3 1 263 393 30 PRO CG C 24.920 0.3 1 264 393 30 PRO CD C 48.640 0.3 1 265 394 31 THR H H 8.185 0.02 1 266 394 31 THR HA H 4.619 0.02 1 267 394 31 THR HB H 4.528 0.02 1 268 394 31 THR CA C 56.930 0.3 1 269 394 31 THR CB C 70.300 0.3 1 270 394 31 THR CG2 C 19.170 0.3 1 271 394 31 THR N N 112.670 0.3 1 272 395 32 ALA H H 8.523 0.02 1 273 395 32 ALA HA H 3.990 0.02 1 274 395 32 ALA HB H 1.367 0.02 1 275 395 32 ALA CA C 52.480 0.3 1 276 395 32 ALA CB C 15.800 0.3 1 277 395 32 ALA N N 120.590 0.3 1 278 396 33 VAL H H 7.247 0.02 1 279 396 33 VAL HA H 4.034 0.02 1 280 396 33 VAL HB H 2.026 0.02 1 281 396 33 VAL CA C 59.880 0.3 1 282 396 33 VAL CB C 30.050 0.3 1 283 396 33 VAL CG1 C 18.320 0.3 1 284 396 33 VAL CG2 C 18.200 0.3 1 285 396 33 VAL N N 109.190 0.3 1 286 397 34 ASP H H 7.206 0.02 1 287 397 34 ASP HA H 4.953 0.02 1 288 397 34 ASP HB2 H 2.634 0.02 2 289 397 34 ASP HB3 H 2.406 0.02 2 290 397 34 ASP CA C 48.470 0.3 1 291 397 34 ASP CB C 39.110 0.3 1 292 397 34 ASP N N 118.600 0.3 1 293 398 35 PRO HA H 4.657 0.02 1 294 398 35 PRO HB2 H 2.123 0.02 2 295 398 35 PRO HB3 H 1.791 0.02 2 296 398 35 PRO HG2 H 1.957 0.02 2 297 398 35 PRO HG3 H 1.765 0.02 2 298 398 35 PRO HD2 H 3.695 0.02 2 299 398 35 PRO HD3 H 3.406 0.02 2 300 398 35 PRO CA C 60.760 0.3 1 301 398 35 PRO CB C 28.510 0.3 1 302 398 35 PRO CG C 24.020 0.3 1 303 398 35 PRO CD C 48.260 0.3 1 304 399 36 ASN H H 8.001 0.02 1 305 399 36 ASN HA H 4.588 0.02 1 306 399 36 ASN HB2 H 2.213 0.02 2 307 399 36 ASN HB3 H 2.583 0.02 2 308 399 36 ASN HD21 H 6.647 0.02 2 309 399 36 ASN HD22 H 7.724 0.02 2 310 399 36 ASN CA C 51.560 0.3 1 311 399 36 ASN CB C 38.040 0.3 1 312 399 36 ASN N N 117.630 0.3 1 313 399 36 ASN ND2 N 113.610 0.3 1 314 400 37 SER H H 8.742 0.02 1 315 400 37 SER HA H 4.640 0.02 1 316 400 37 SER HB2 H 3.324 0.02 2 317 400 37 SER CA C 53.200 0.3 1 318 400 37 SER CB C 63.170 0.3 1 319 400 37 SER N N 115.030 0.3 1 320 401 38 ILE H H 8.174 0.02 1 321 401 38 ILE HA H 5.057 0.02 1 322 401 38 ILE HB H 1.400 0.02 1 323 401 38 ILE HD1 H .698 0.02 1 324 401 38 ILE CA C 58.080 0.3 1 325 401 38 ILE CB C 38.360 0.3 1 326 401 38 ILE CG1 C 24.510 0.3 1 327 401 38 ILE CG2 C 10.800 0.3 1 328 401 38 ILE CD1 C 14.560 0.3 1 329 401 38 ILE N N 120.560 0.3 1 330 402 39 VAL H H 8.980 0.02 1 331 402 39 VAL HA H 4.926 0.02 1 332 402 39 VAL HB H 1.374 0.02 1 333 402 39 VAL CA C 57.300 0.3 1 334 402 39 VAL CB C 33.090 0.3 1 335 402 39 VAL CG1 C 20.740 0.3 1 336 402 39 VAL CG2 C 20.390 0.3 1 337 402 39 VAL N N 127.820 0.3 1 338 403 40 GLU H H 9.061 0.02 1 339 403 40 GLU HA H 4.970 0.02 1 340 403 40 GLU HB2 H 2.340 0.02 2 341 403 40 GLU HG2 H 2.140 0.02 2 342 403 40 GLU CA C 51.580 0.3 1 343 403 40 GLU CB C 33.830 0.3 1 344 403 40 GLU CG C 33.970 0.3 1 345 403 40 GLU N N 122.770 0.3 1 346 404 41 CYS H H 8.831 0.02 1 347 404 41 CYS HA H 4.035 0.02 1 348 404 41 CYS HB2 H 2.282 0.02 2 349 404 41 CYS CA C 55.230 0.3 1 350 404 41 CYS CB C 24.350 0.3 1 351 404 41 CYS N N 123.280 0.3 1 352 405 42 ARG H H 8.768 0.02 1 353 405 42 ARG HA H 5.355 0.02 1 354 405 42 ARG HB2 H 1.478 0.02 2 355 405 42 ARG HB3 H 1.700 0.02 2 356 405 42 ARG HG2 H 1.309 0.02 2 357 405 42 ARG HG3 H 1.140 0.02 2 358 405 42 ARG HD2 H 2.759 0.02 2 359 405 42 ARG CA C 51.500 0.3 1 360 405 42 ARG CB C 32.980 0.3 1 361 405 42 ARG CG C 24.890 0.3 1 362 405 42 ARG CD C 41.620 0.3 1 363 405 42 ARG N N 127.500 0.3 1 364 406 43 VAL H H 7.598 0.02 1 365 406 43 VAL HA H 4.732 0.02 1 366 406 43 VAL HB H 2.112 0.02 1 367 406 43 VAL CA C 57.280 0.3 1 368 406 43 VAL CB C 30.700 0.3 1 369 406 43 VAL CG1 C 17.040 0.3 1 370 406 43 VAL CG2 C 20.770 0.3 1 371 406 43 VAL N N 108.720 0.3 1 372 407 44 GLY H H 8.400 0.02 1 373 407 44 GLY HA2 H 3.920 0.02 2 374 407 44 GLY HA3 H 3.724 0.02 2 375 407 44 GLY CA C 45.470 0.3 1 376 407 44 GLY N N 108.200 0.3 1 377 408 45 ASP H H 7.850 0.02 1 378 408 45 ASP HA H 4.513 0.02 1 379 408 45 ASP HB2 H 2.577 0.02 2 380 408 45 ASP HB3 H 3.034 0.02 2 381 408 45 ASP CA C 51.350 0.3 1 382 408 45 ASP CB C 37.430 0.3 1 383 408 45 ASP N N 118.160 0.3 1 384 409 46 GLY H H 8.275 0.02 1 385 409 46 GLY HA2 H 4.327 0.02 2 386 409 46 GLY HA3 H 3.533 0.02 2 387 409 46 GLY CA C 42.280 0.3 1 388 409 46 GLY N N 107.740 0.3 1 389 410 47 THR H H 8.044 0.02 1 390 410 47 THR HA H 3.945 0.02 1 391 410 47 THR HB H 3.742 0.02 1 392 410 47 THR CA C 65.850 0.3 1 393 410 47 THR CB C 62.900 0.3 1 394 410 47 THR CG2 C 18.610 0.3 1 395 410 47 THR N N 119.210 0.3 1 396 411 48 VAL H H 8.386 0.02 1 397 411 48 VAL HA H 4.010 0.02 1 398 411 48 VAL HB H 1.894 0.02 1 399 411 48 VAL CA C 59.950 0.3 1 400 411 48 VAL CB C 29.470 0.3 1 401 411 48 VAL CG1 C 19.550 0.3 1 402 411 48 VAL CG2 C 19.170 0.3 1 403 411 48 VAL N N 126.460 0.3 1 404 412 49 LEU H H 9.185 0.02 1 405 412 49 LEU HA H 4.290 0.02 1 406 412 49 LEU HB2 H 1.306 0.02 2 407 412 49 LEU HB3 H 1.405 0.02 2 408 412 49 LEU HG H 1.386 0.02 1 409 412 49 LEU HD1 H .536 0.02 2 410 412 49 LEU HD2 H .463 0.02 2 411 412 49 LEU CA C 53.100 0.3 1 412 412 49 LEU CB C 40.660 0.3 1 413 412 49 LEU CG C 25.240 0.3 1 414 412 49 LEU CD1 C 19.940 0.3 1 415 412 49 LEU CD2 C 23.320 0.3 1 416 412 49 LEU N N 127.930 0.3 1 417 413 50 GLY H H 7.183 0.02 1 418 413 50 GLY HA2 H 4.186 0.02 2 419 413 50 GLY HA3 H 3.892 0.02 2 420 413 50 GLY CA C 42.900 0.3 1 421 413 50 GLY N N 101.990 0.3 1 422 414 51 THR H H 8.543 0.02 1 423 414 51 THR HA H 5.048 0.02 1 424 414 51 THR HB H 3.704 0.02 1 425 414 51 THR CA C 59.660 0.3 1 426 414 51 THR CB C 68.180 0.3 1 427 414 51 THR CG2 C 19.130 0.3 1 428 414 51 THR N N 118.130 0.3 1 429 415 52 GLY H H 9.457 0.02 1 430 415 52 GLY HA2 H 4.078 0.02 2 431 415 52 GLY CA C 41.470 0.3 1 432 415 52 GLY N N 115.100 0.3 1 433 416 53 VAL H H 7.895 0.02 1 434 416 53 VAL HA H 5.280 0.02 1 435 416 53 VAL HB H 1.860 0.02 1 436 416 53 VAL CA C 56.920 0.3 1 437 416 53 VAL CB C 32.040 0.3 1 438 416 53 VAL CG1 C 18.280 0.3 1 439 416 53 VAL CG2 C 18.280 0.3 1 440 416 53 VAL N N 119.290 0.3 1 441 417 54 GLY H H 8.313 0.02 1 442 417 54 GLY HA2 H 4.306 0.02 2 443 417 54 GLY HA3 H 3.717 0.02 2 444 417 54 GLY CA C 42.690 0.3 1 445 417 54 GLY N N 108.950 0.3 1 446 418 55 ARG H H 8.695 0.02 1 447 418 55 ARG HA H 4.332 0.02 1 448 418 55 ARG HB2 H 1.792 0.02 2 449 418 55 ARG HG2 H 1.611 0.02 2 450 418 55 ARG HD2 H 3.175 0.02 2 451 418 55 ARG CA C 55.260 0.3 1 452 418 55 ARG CB C 27.700 0.3 1 453 418 55 ARG CG C 24.690 0.3 1 454 418 55 ARG CD C 40.870 0.3 1 455 418 55 ARG N N 117.770 0.3 1 456 419 56 ASN H H 7.246 0.02 1 457 419 56 ASN HA H 4.672 0.02 1 458 419 56 ASN HB2 H 3.320 0.02 2 459 419 56 ASN HB3 H 2.910 0.02 2 460 419 56 ASN HD21 H 6.728 0.02 2 461 419 56 ASN CA C 49.240 0.3 1 462 419 56 ASN CB C 37.970 0.3 1 463 419 56 ASN N N 110.280 0.3 1 464 419 56 ASN ND2 N 113.780 0.3 1 465 420 57 ILE H H 8.879 0.02 1 466 420 57 ILE HA H 3.603 0.02 1 467 420 57 ILE HB H 1.714 0.02 1 468 420 57 ILE HD1 H .890 0.02 1 469 420 57 ILE CA C 62.320 0.3 1 470 420 57 ILE CB C 36.220 0.3 1 471 420 57 ILE CG1 C 25.810 0.3 1 472 420 57 ILE CG2 C 20.970 0.3 1 473 420 57 ILE CD1 C 22.460 0.3 1 474 420 57 ILE N N 118.750 0.3 1 475 421 58 LYS H H 8.077 0.02 1 476 421 58 LYS HA H 3.870 0.02 1 477 421 58 LYS HB2 H 1.730 0.02 2 478 421 58 LYS HB3 H 1.680 0.02 2 479 421 58 LYS HG2 H 1.560 0.02 2 480 421 58 LYS HD2 H 1.393 0.02 2 481 421 58 LYS HD3 H 1.151 0.02 2 482 421 58 LYS HE2 H 2.843 0.02 2 483 421 58 LYS CA C 57.250 0.3 1 484 421 58 LYS CB C 29.440 0.3 1 485 421 58 LYS CG C 26.740 0.3 1 486 421 58 LYS CD C 22.420 0.3 1 487 421 58 LYS CE C 39.670 0.3 1 488 421 58 LYS N N 123.970 0.3 1 489 422 59 ILE H H 8.545 0.02 1 490 422 59 ILE HA H 3.652 0.02 1 491 422 59 ILE HB H 1.571 0.02 1 492 422 59 ILE HD1 H .793 0.02 1 493 422 59 ILE CA C 60.900 0.3 1 494 422 59 ILE CB C 35.750 0.3 1 495 422 59 ILE CG1 C 26.550 0.3 1 496 422 59 ILE CG2 C 15.590 0.3 1 497 422 59 ILE CD1 C 10.520 0.3 1 498 422 59 ILE N N 118.740 0.3 1 499 423 60 ALA H H 8.106 0.02 1 500 423 60 ALA HA H 3.544 0.02 1 501 423 60 ALA HB H 1.169 0.02 1 502 423 60 ALA CA C 53.310 0.3 1 503 423 60 ALA CB C 15.860 0.3 1 504 423 60 ALA N N 121.700 0.3 1 505 424 61 GLY H H 8.069 0.02 1 506 424 61 GLY HA2 H 3.817 0.02 2 507 424 61 GLY HA3 H 3.817 0.02 2 508 424 61 GLY CA C 44.780 0.3 1 509 424 61 GLY N N 103.980 0.3 1 510 425 62 ILE H H 7.602 0.02 1 511 425 62 ILE HA H 3.470 0.02 1 512 425 62 ILE HB H 1.970 0.02 1 513 425 62 ILE HD1 H .872 0.02 1 514 425 62 ILE CA C 63.100 0.3 1 515 425 62 ILE CB C 35.080 0.3 1 516 425 62 ILE CG2 C 15.860 0.3 1 517 425 62 ILE N N 122.230 0.3 1 518 426 63 ARG H H 8.329 0.02 1 519 426 63 ARG HA H 4.074 0.02 1 520 426 63 ARG HB2 H 1.894 0.02 2 521 426 63 ARG HG2 H 1.706 0.02 2 522 426 63 ARG HD2 H 3.196 0.02 2 523 426 63 ARG CA C 56.420 0.3 1 524 426 63 ARG CB C 27.550 0.3 1 525 426 63 ARG CG C 24.920 0.3 1 526 426 63 ARG CD C 41.080 0.3 1 527 426 63 ARG N N 117.800 0.3 1 528 427 64 ALA H H 8.232 0.02 1 529 427 64 ALA HA H 3.672 0.02 1 530 427 64 ALA HB H 1.490 0.02 1 531 427 64 ALA CA C 53.150 0.3 1 532 427 64 ALA CB C 15.700 0.3 1 533 427 64 ALA N N 123.950 0.3 1 534 428 65 ALA H H 7.764 0.02 1 535 428 65 ALA HA H 4.072 0.02 1 536 428 65 ALA HB H 1.511 0.02 1 537 428 65 ALA CA C 52.580 0.3 1 538 428 65 ALA CB C 15.650 0.3 1 539 428 65 ALA N N 119.950 0.3 1 540 429 66 GLU H H 8.703 0.02 1 541 429 66 GLU HA H 3.763 0.02 1 542 429 66 GLU HB2 H 2.212 0.02 2 543 429 66 GLU HB3 H 1.878 0.02 2 544 429 66 GLU HG2 H 2.092 0.02 2 545 429 66 GLU HG3 H 2.483 0.02 2 546 429 66 GLU CA C 57.230 0.3 1 547 429 66 GLU CB C 27.380 0.3 1 548 429 66 GLU CG C 34.760 0.3 1 549 429 66 GLU N N 116.970 0.3 1 550 430 67 ASN H H 8.191 0.02 1 551 430 67 ASN HA H 4.486 0.02 1 552 430 67 ASN HB2 H 2.890 0.02 2 553 430 67 ASN HD21 H 6.890 0.02 2 554 430 67 ASN HD22 H 7.663 0.02 2 555 430 67 ASN CA C 53.600 0.3 1 556 430 67 ASN CB C 35.880 0.3 1 557 430 67 ASN N N 116.780 0.3 1 558 430 67 ASN ND2 N 111.920 0.3 1 559 431 68 ALA H H 8.136 0.02 1 560 431 68 ALA HA H 4.151 0.02 1 561 431 68 ALA HB H 1.293 0.02 1 562 431 68 ALA CA C 53.080 0.3 1 563 431 68 ALA CB C 17.300 0.3 1 564 431 68 ALA N N 125.780 0.3 1 565 432 69 LEU H H 7.961 0.02 1 566 432 69 LEU HA H 3.910 0.02 1 567 432 69 LEU HB2 H 1.913 0.02 2 568 432 69 LEU HD1 H .851 0.02 2 569 432 69 LEU HD2 H .719 0.02 2 570 432 69 LEU CA C 54.360 0.3 1 571 432 69 LEU CB C 39.300 0.3 1 572 432 69 LEU CD2 C 21.660 0.3 1 573 432 69 LEU N N 113.890 0.3 1 574 433 70 ARG H H 7.203 0.02 1 575 433 70 ARG HA H 4.141 0.02 1 576 433 70 ARG HB2 H 1.975 0.02 2 577 433 70 ARG HG2 H 1.689 0.02 2 578 433 70 ARG HG3 H 1.942 0.02 2 579 433 70 ARG HD2 H 3.209 0.02 2 580 433 70 ARG CA C 54.440 0.3 1 581 433 70 ARG CB C 28.520 0.3 1 582 433 70 ARG CG C 25.570 0.3 1 583 433 70 ARG CD C 40.940 0.3 1 584 433 70 ARG N N 114.460 0.3 1 585 434 71 ASP H H 7.651 0.02 1 586 434 71 ASP HA H 4.751 0.02 1 587 434 71 ASP HB2 H 2.462 0.02 2 588 434 71 ASP HB3 H 3.410 0.02 2 589 434 71 ASP CA C 49.920 0.3 1 590 434 71 ASP CB C 36.900 0.3 1 591 434 71 ASP N N 120.200 0.3 1 592 435 72 LYS H H 7.783 0.02 1 593 435 72 LYS HA H 3.852 0.02 1 594 435 72 LYS HB2 H 1.849 0.02 2 595 435 72 LYS HG2 H 1.498 0.02 2 596 435 72 LYS HD2 H 1.631 0.02 2 597 435 72 LYS HE2 H 2.962 0.02 2 598 435 72 LYS CA C 56.670 0.3 1 599 435 72 LYS CB C 29.560 0.3 1 600 435 72 LYS CG C 22.500 0.3 1 601 435 72 LYS CD C 25.990 0.3 1 602 435 72 LYS CE C 39.670 0.3 1 603 435 72 LYS N N 122.200 0.3 1 604 436 73 LYS H H 8.134 0.02 1 605 436 73 LYS HA H 4.094 0.02 1 606 436 73 LYS HB2 H 1.834 0.02 2 607 436 73 LYS HG2 H 1.371 0.02 2 608 436 73 LYS HD2 H 1.667 0.02 2 609 436 73 LYS HE2 H 2.930 0.02 2 610 436 73 LYS CA C 56.880 0.3 1 611 436 73 LYS CB C 29.360 0.3 1 612 436 73 LYS CG C 22.600 0.3 1 613 436 73 LYS CD C 26.500 0.3 1 614 436 73 LYS CE C 39.350 0.3 1 615 436 73 LYS N N 117.900 0.3 1 616 437 74 MET H H 7.507 0.02 1 617 437 74 MET HA H 4.240 0.02 1 618 437 74 MET HB2 H 2.212 0.02 2 619 437 74 MET HB3 H 2.072 0.02 2 620 437 74 MET HG2 H 2.818 0.02 2 621 437 74 MET HG3 H 2.612 0.02 2 622 437 74 MET HE H 2.064 0.02 1 623 437 74 MET CA C 55.750 0.3 1 624 437 74 MET CB C 28.720 0.3 1 625 437 74 MET CG C 29.750 0.3 1 626 437 74 MET CE C 15.400 0.3 1 627 437 74 MET N N 121.260 0.3 1 628 438 75 LEU H H 8.176 0.02 1 629 438 75 LEU HA H 4.023 0.02 1 630 438 75 LEU HB2 H 1.846 0.02 2 631 438 75 LEU HB3 H 1.410 0.02 2 632 438 75 LEU HG H 1.929 0.02 1 633 438 75 LEU HD1 H .734 0.02 2 634 438 75 LEU HD2 H .848 0.02 2 635 438 75 LEU CA C 55.550 0.3 1 636 438 75 LEU CB C 39.310 0.3 1 637 438 75 LEU CG C 23.700 0.3 1 638 438 75 LEU CD1 C 20.960 0.3 1 639 438 75 LEU CD2 C 23.440 0.3 1 640 438 75 LEU N N 118.750 0.3 1 641 439 76 ASP H H 8.109 0.02 1 642 439 76 ASP HA H 4.310 0.02 1 643 439 76 ASP HB2 H 2.760 0.02 2 644 439 76 ASP HB3 H 2.579 0.02 2 645 439 76 ASP CA C 54.860 0.3 1 646 439 76 ASP CB C 38.710 0.3 1 647 439 76 ASP N N 117.400 0.3 1 648 440 77 PHE H H 7.644 0.02 1 649 440 77 PHE HA H 4.014 0.02 1 650 440 77 PHE HB2 H 3.072 0.02 2 651 440 77 PHE HD2 H 6.950 0.02 3 652 440 77 PHE HE2 H 7.065 0.02 3 653 440 77 PHE HZ H 6.379 0.02 1 654 440 77 PHE CA C 59.220 0.3 1 655 440 77 PHE CB C 36.540 0.3 1 656 440 77 PHE N N 119.030 0.3 1 657 441 78 TYR H H 8.211 0.02 1 658 441 78 TYR HA H 4.036 0.02 1 659 441 78 TYR HB2 H 3.266 0.02 2 660 441 78 TYR HB3 H 2.795 0.02 2 661 441 78 TYR HD1 H 7.298 0.02 3 662 441 78 TYR HE1 H 6.800 0.02 3 663 441 78 TYR CA C 60.900 0.3 1 664 441 78 TYR CB C 35.700 0.3 1 665 441 78 TYR N N 117.260 0.3 1 666 442 79 ALA H H 8.976 0.02 1 667 442 79 ALA HA H 4.100 0.02 1 668 442 79 ALA HB H 1.503 0.02 1 669 442 79 ALA CA C 53.170 0.3 1 670 442 79 ALA CB C 15.800 0.3 1 671 442 79 ALA N N 124.390 0.3 1 672 443 80 LYS H H 7.794 0.02 1 673 443 80 LYS HA H 3.919 0.02 1 674 443 80 LYS HB2 H 1.711 0.02 2 675 443 80 LYS HG2 H 1.263 0.02 2 676 443 80 LYS HG3 H 1.486 0.02 2 677 443 80 LYS HD2 H 1.497 0.02 2 678 443 80 LYS HE2 H 2.848 0.02 2 679 443 80 LYS CA C 56.710 0.3 1 680 443 80 LYS CB C 29.390 0.3 1 681 443 80 LYS CG C 23.270 0.3 1 682 443 80 LYS CD C 26.360 0.3 1 683 443 80 LYS CE C 39.600 0.3 1 684 443 80 LYS N N 118.550 0.3 1 685 444 81 GLN H H 7.461 0.02 1 686 444 81 GLN HA H 3.785 0.02 1 687 444 81 GLN HB2 H 2.004 0.02 2 688 444 81 GLN HG2 H 1.885 0.02 2 689 444 81 GLN HE21 H 6.794 0.02 2 690 444 81 GLN HE22 H 6.876 0.02 2 691 444 81 GLN CA C 56.110 0.3 1 692 444 81 GLN CB C 31.600 0.3 1 693 444 81 GLN CG C 26.400 0.3 1 694 444 81 GLN N N 118.980 0.3 1 695 444 81 GLN NE2 N 111.220 0.3 1 696 445 82 ARG H H 7.997 0.02 1 697 445 82 ARG HA H 3.293 0.02 1 698 445 82 ARG HB2 H 1.884 0.02 2 699 445 82 ARG HB3 H 1.751 0.02 2 700 445 82 ARG HG2 H 1.261 0.02 2 701 445 82 ARG HD2 H 2.965 0.02 2 702 445 82 ARG HD3 H 2.774 0.02 2 703 445 82 ARG CA C 55.930 0.3 1 704 445 82 ARG CB C 27.580 0.3 1 705 445 82 ARG CG C 24.030 0.3 1 706 445 82 ARG CD C 41.800 0.3 1 707 445 82 ARG N N 118.660 0.3 1 708 446 83 ALA H H 7.450 0.02 1 709 446 83 ALA HA H 4.100 0.02 1 710 446 83 ALA HB H 1.338 0.02 1 711 446 83 ALA CA C 50.720 0.3 1 712 446 83 ALA CB C 16.070 0.3 1 713 446 83 ALA N N 119.110 0.3 1 714 447 84 ALA H H 7.240 0.02 1 715 447 84 ALA HA H 4.182 0.02 1 716 447 84 ALA HB H 1.288 0.02 1 717 447 84 ALA CA C 49.720 0.3 1 718 447 84 ALA CB C 16.550 0.3 1 719 447 84 ALA N N 118.860 0.3 1 720 448 85 ILE H H 7.262 0.02 1 721 448 85 ILE HA H 4.170 0.02 1 722 448 85 ILE HB H 1.688 0.02 1 723 448 85 ILE HD1 H .773 0.02 1 724 448 85 ILE CA C 56.800 0.3 1 725 448 85 ILE CB C 35.690 0.3 1 726 448 85 ILE CG1 C 24.380 0.3 1 727 448 85 ILE CG2 C 14.280 0.3 1 728 448 85 ILE CD1 C 10.160 0.3 1 729 448 85 ILE N N 121.050 0.3 1 730 449 86 PRO HA H 4.326 0.02 1 731 449 86 PRO HB2 H 2.199 0.02 2 732 449 86 PRO HB3 H 1.810 0.02 2 733 449 86 PRO HG2 H 1.957 0.02 2 734 449 86 PRO HD2 H 3.848 0.02 2 735 449 86 PRO HD3 H 3.549 0.02 2 736 449 86 PRO CA C 60.730 0.3 1 737 449 86 PRO CB C 29.310 0.3 1 738 449 86 PRO CG C 24.020 0.3 1 739 449 86 PRO CD C 48.200 0.3 1 740 450 87 ARG H H 8.318 0.02 1 741 450 87 ARG HA H 4.266 0.02 1 742 450 87 ARG HB2 H 1.677 0.02 2 743 450 87 ARG HB3 H 1.788 0.02 2 744 450 87 ARG HG2 H 1.557 0.02 2 745 450 87 ARG HD2 H 3.076 0.02 2 746 450 87 ARG CA C 53.430 0.3 1 747 450 87 ARG CB C 28.390 0.3 1 748 450 87 ARG CG C 24.650 0.3 1 749 450 87 ARG CD C 40.660 0.3 1 750 450 87 ARG N N 121.240 0.3 1 751 451 88 SER H H 8.263 0.02 1 752 451 88 SER HA H 3.809 0.02 1 753 451 88 SER HB2 H 4.399 0.02 2 754 451 88 SER CA C 61.230 0.3 1 755 451 88 SER CB C 55.960 0.3 1 756 451 88 SER N N 116.270 0.3 1 757 452 89 GLU H H 8.347 0.02 1 758 452 89 GLU HA H 4.330 0.02 1 759 452 89 GLU HB2 H 1.860 0.02 2 760 452 89 GLU HB3 H 2.070 0.02 2 761 452 89 GLU HG2 H 2.197 0.02 2 762 452 89 GLU CA C 54.120 0.3 1 763 452 89 GLU CB C 27.910 0.3 1 764 452 89 GLU CG C 33.820 0.3 1 765 452 89 GLU N N 122.600 0.3 1 766 453 90 SER H H 7.851 0.02 1 767 453 90 SER HA H 4.195 0.02 1 768 453 90 SER HB2 H 3.776 0.02 2 769 453 90 SER CA C 62.460 0.3 1 770 453 90 SER CB C 57.590 0.3 1 771 453 90 SER N N 121.300 0.3 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA (32-MER)' _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 1 1 G H1 H 12.9 0.02 1 2 1 1 G H1' H 5.816 0.02 1 3 1 1 G H2' H 5.01 0.02 1 4 1 1 G H3' H 4.766 0.02 1 5 1 1 G H4' H 4.6 0.02 1 6 1 1 G H5' H 4.33 0.02 1 7 1 1 G H5'' H 4.423 0.02 1 8 1 1 G H8 H 8.133 0.02 1 9 1 1 G C1' C 92.1 0.2 1 10 1 1 G C2' C 74.44 0.2 1 11 1 1 G C3' C 74.2 0.2 1 12 1 1 G C4' C 83 0.2 1 13 1 1 G C5' C 67.02 0.2 1 14 1 1 G C8 C 138.6 0.2 1 15 2 2 G H1 H 11.13 0.02 1 16 2 2 G H1' H 5.867 0.02 1 17 2 2 G H2' H 4.503 0.02 1 18 2 2 G H3' H 4.554 0.02 1 19 2 2 G H4' H 4.52 0.02 1 20 2 2 G H5' H 4.32 0.02 1 21 2 2 G H5'' H 4.5 0.02 1 22 2 2 G H8 H 7.396 0.02 1 23 2 2 G C1' C 92.22 0.2 1 24 2 2 G C2' C 75.2 0.2 1 25 2 2 G C3' C 72.08 0.2 1 26 2 2 G C4' C 82.02 0.2 1 27 2 2 G C5' C 66.2 0.2 1 28 2 2 G C8 C 137.4 0.2 1 29 3 3 G H1 H 12.53 0.02 1 30 3 3 G H1' H 5.75 0.02 1 31 3 3 G H2' H 4.34 0.02 1 32 3 3 G H3' H 4.33 0.02 1 33 3 3 G H4' H 4.573 0.02 1 34 3 3 G H5' H 4.222 0.02 1 35 3 3 G H5'' H 4.49 0.02 1 36 3 3 G H8 H 7.196 0.02 1 37 3 3 G C1' C 92.5 0.2 1 38 3 3 G C2' C 74.1 0.2 1 39 3 3 G C3' C 72.2 0.2 1 40 3 3 G C4' C 83.6 0.2 1 41 3 3 G C5' C 65.33 0.2 1 42 3 3 G C8 C 138.2 0.2 1 43 4 4 A H1' H 5.924 0.02 1 44 4 4 A H2 H 7.623 0.02 1 45 4 4 A H2' H 4.55 0.02 1 46 4 4 A H3' H 4.65 0.02 1 47 4 4 A H4' H 4.412 0.02 1 48 4 4 A H5' H 4.239 0.02 1 49 4 4 A H5'' H 4.41 0.02 1 50 4 4 A H8 H 7.688 0.02 1 51 4 4 A C1' C 93.3 0.2 1 52 4 4 A C2 C 153.6 0.2 1 53 4 4 A C2' C 73.9 0.2 1 54 4 4 A C3' C 73.55 0.2 1 55 4 4 A C4' C 83.77 0.2 1 56 4 4 A C5' C 65.8 0.2 1 57 4 4 A C8 C 136.9 0.2 1 58 5 5 U H1' H 5.38 0.02 1 59 5 5 U H2' H 4.323 0.02 1 60 5 5 U H3 H 13.46 0.02 1 61 5 5 U H3' H 4.244 0.02 1 62 5 5 U H4' H 4.328 0.02 1 63 5 5 U H5 H 4.997 0.02 1 64 5 5 U H5' H 4.463 0.02 1 65 5 5 U H5'' H 4.463 0.02 1 66 5 5 U H6 H 7.537 0.02 1 67 5 5 U C1' C 93.1 0.2 1 68 5 5 U C2' C 72.01 0.2 1 69 5 5 U C3' C 71.66 0.2 1 70 5 5 U C4' C 82 0.2 1 71 5 5 U C5 C 102.9 0.2 1 72 5 5 U C5' C 64.62 0.2 1 73 5 5 U C6 C 139.6 0.2 1 74 6 6 A H1' H 5.955 0.02 1 75 6 6 A H2 H 7.081 0.02 1 76 6 6 A H2' H 4.53 0.02 1 77 6 6 A H3' H 4.333 0.02 1 78 6 6 A H4' H 4.401 0.02 1 79 6 6 A H5' H 4.234 0.02 1 80 6 6 A H5'' H 4.56 0.02 1 81 6 6 A H8 H 8.063 0.02 1 82 6 6 A C1' C 92.8 0.2 1 83 6 6 A C2 C 151.9 0.2 1 84 6 6 A C2' C 74 0.2 1 85 6 6 A C3' C 74.33 0.2 1 86 6 6 A C4' C 82.33 0.2 1 87 6 6 A C5' C 64.23 0.2 1 88 6 6 A C8 C 138.2 0.2 1 89 7 7 C H1' H 5.29 0.02 1 90 7 7 C H2' H 4.4 0.02 1 91 7 7 C H3' H 4.56 0.02 1 92 7 7 C H4' H 4.347 0.02 1 93 7 7 C H5 H 5.127 0.02 1 94 7 7 C H5' H 4.334 0.02 1 95 7 7 C H5'' H 4.476 0.02 1 96 7 7 C H6 H 7.456 0.02 1 97 7 7 C C1' C 93.7 0.2 1 98 7 7 C C2' C 75.03 0.2 1 99 7 7 C C3' C 73.8 0.2 1 100 7 7 C C4' C 84.23 0.2 1 101 7 7 C C5 C 96.3 0.2 1 102 7 7 C C5' C 65.22 0.2 1 103 7 7 C C6 C 141.3 0.2 1 104 8 8 C H1' H 5.378 0.02 1 105 8 8 C H2' H 4.35 0.02 1 106 8 8 C H3' H 4.666 0.02 1 107 8 8 C H4' H 4.467 0.02 1 108 8 8 C H5 H 5.387 0.02 1 109 8 8 C H5' H 4.29 0.02 1 110 8 8 C H5'' H 4.302 0.02 1 111 8 8 C H6 H 7.638 0.02 1 112 8 8 C C1' C 93.8 0.2 1 113 8 8 C C2' C 73.55 0.2 1 114 8 8 C C3' C 74.3 0.2 1 115 8 8 C C4' C 83.66 0.2 1 116 8 8 C C5 C 95.44 0.2 1 117 8 8 C C5' C 64.89 0.2 1 118 8 8 C C6 C 140.2 0.2 1 119 9 9 A H1' H 5.847 0.02 1 120 9 9 A H2 H 7.276 0.02 1 121 9 9 A H2' H 4.441 0.02 1 122 9 9 A H3' H 4.572 0.02 1 123 9 9 A H4' H 4.062 0.02 1 124 9 9 A H5' H 4.375 0.02 1 125 9 9 A H5'' H 4.464 0.02 1 126 9 9 A H8 H 7.876 0.02 1 127 9 9 A C1' C 93.3 0.2 1 128 9 9 A C2 C 152.4 0.2 1 129 9 9 A C2' C 74.22 0.2 1 130 9 9 A C3' C 72.3 0.2 1 131 9 9 A C4' C 83.56 0.2 1 132 9 9 A C5' C 65.32 0.2 1 133 9 9 A C8 C 138.5 0.2 1 134 10 10 U H1' H 5.266 0.02 1 135 10 10 U H2' H 4.146 0.02 1 136 10 10 U H3 H 11.62 0.02 1 137 10 10 U H3' H 4.448 0.02 1 138 10 10 U H4' H 4.344 0.02 1 139 10 10 U H5 H 5.31 0.02 1 140 10 10 U H5' H 4.42 0.02 1 141 10 10 U H5'' H 4.63 0.02 1 142 10 10 U H6 H 7.424 0.02 1 143 10 10 U C1' C 92.5 0.2 1 144 10 10 U C2' C 73.9 0.2 1 145 10 10 U C3' C 71.34 0.2 1 146 10 10 U C4' C 82.43 0.2 1 147 10 10 U C5 C 104.2 0.2 1 148 10 10 U C5' C 65.9 0.2 1 149 10 10 U C6 C 139.2 0.2 1 150 11 11 G H1 H 13.09 0.02 1 151 11 11 G H1' H 5.668 0.02 1 152 11 11 G H2' H 4.475 0.02 1 153 11 11 G H3' H 4.62 0.02 1 154 11 11 G H4' H 4.592 0.02 1 155 11 11 G H5' H 4.323 0.02 1 156 11 11 G H5'' H 4.51 0.02 1 157 11 11 G H8 H 7.863 0.02 1 158 11 11 G C1' C 92.44 0.2 1 159 11 11 G C2' C 74.3 0.2 1 160 11 11 G C3' C 75.11 0.2 1 161 11 11 G C4' C 82.55 0.2 1 162 11 11 G C5' C 66.22 0.2 1 163 11 11 G C8 C 136.8 0.2 1 164 12 12 U H1' H 5.442 0.02 1 165 12 12 U H2' H 4.51 0.02 1 166 12 12 U H3 H 14.46 0.02 1 167 12 12 U H3' H 4.522 0.02 1 168 12 12 U H4' H 4.509 0.02 1 169 12 12 U H5 H 5.033 0.02 1 170 12 12 U H5' H 4.17 0.02 1 171 12 12 U H5'' H 4.633 0.02 1 172 12 12 U H6 H 7.715 0.02 1 173 12 12 U C1' C 94.33 0.2 1 174 12 12 U C2' C 74.77 0.2 1 175 12 12 U C3' C 72.09 0.2 1 176 12 12 U C4' C 82.33 0.2 1 177 12 12 U C5 C 103.1 0.2 1 178 12 12 U C5' C 64.08 0.2 1 179 12 12 U C6 C 141.4 0.2 1 180 13 13 U H1' H 5.545 0.02 1 181 13 13 U H2' H 4.299 0.02 1 182 13 13 U H3 H 14 0.02 1 183 13 13 U H3' H 4.41 0.02 1 184 13 13 U H4' H 4.37 0.02 1 185 13 13 U H5 H 5.418 0.02 1 186 13 13 U H5' H 4.038 0.02 1 187 13 13 U H5'' H 4.476 0.02 1 188 13 13 U H6 H 7.904 0.02 1 189 13 13 U C1' C 93.65 0.2 1 190 13 13 U C2' C 74.5 0.2 1 191 13 13 U C3' C 72.5 0.2 1 192 13 13 U C4' C 81.6 0.2 1 193 13 13 U C5 C 103 0.2 1 194 13 13 U C5' C 64.5 0.2 1 195 13 13 U C6 C 141.9 0.2 1 196 14 14 C H1' H 5.4 0.02 1 197 14 14 C H2' H 4.453 0.02 1 198 14 14 C H3' H 4.28 0.02 1 199 14 14 C H4' H 4.39 0.02 1 200 14 14 C H5 H 5.204 0.02 1 201 14 14 C H5' H 4.102 0.02 1 202 14 14 C H5'' H 4.4 0.02 1 203 14 14 C H6 H 7.508 0.02 1 204 14 14 C C1' C 93.2 0.2 1 205 14 14 C C2' C 74.5 0.2 1 206 14 14 C C3' C 72.33 0.2 1 207 14 14 C C4' C 82.3 0.2 1 208 14 14 C C5 C 96.9 0.2 1 209 14 14 C C5' C 65.3 0.2 1 210 14 14 C C6 C 140.7 0.2 1 211 15 15 A H1' H 5.527 0.02 1 212 15 15 A H2 H 7.304 0.02 1 213 15 15 A H2' H 4.42 0.02 1 214 15 15 A H3' H 4.59 0.02 1 215 15 15 A H4' H 4.307 0.02 1 216 15 15 A H5' H 4.203 0.02 1 217 15 15 A H5'' H 4.5 0.02 1 218 15 15 A H8 H 7.977 0.02 1 219 15 15 A C1' C 93.4 0.2 1 220 15 15 A C2 C 153.5 0.2 1 221 15 15 A C2' C 75.3 0.2 1 222 15 15 A C3' C 73 0.2 1 223 15 15 A C4' C 82.4 0.2 1 224 15 15 A C5' C 65.8 0.2 1 225 15 15 A C8 C 139.8 0.2 1 226 16 16 G H1 H 10.5 0.02 1 227 16 16 G H1' H 5.203 0.02 1 228 16 16 G H2' H 4.58 0.02 1 229 16 16 G H3' H 4.45 0.02 1 230 16 16 G H4' H 3.801 0.02 1 231 16 16 G H5' H 3.9 0.02 1 232 16 16 G H5'' H 4.05 0.02 1 233 16 16 G H8 H 7.501 0.02 1 234 16 16 G C1' C 88.9 0.2 1 235 16 16 G C2' C 73.2 0.2 1 236 16 16 G C3' C 77.08 0.2 1 237 16 16 G C4' C 83.5 0.2 1 238 16 16 G C5' C 66.2 0.2 1 239 16 16 G C8 C 140.4 0.2 1 240 17 17 A H1' H 5.729 0.02 1 241 17 17 A H2 H 8.052 0.02 1 242 17 17 A H2' H 4.66 0.02 1 243 17 17 A H3' H 4.75 0.02 1 244 17 17 A H4' H 4.5 0.02 1 245 17 17 A H5' H 3.95 0.02 1 246 17 17 A H5'' H 3.91 0.02 1 247 17 17 A H8 H 8.053 0.02 1 248 17 17 A C1' C 89.7 0.2 1 249 17 17 A C2 C 154.5 0.2 1 250 17 17 A C2' C 76.8 0.2 1 251 17 17 A C3' C 76.22 0.2 1 252 17 17 A C4' C 84.66 0.2 1 253 17 17 A C5' C 67.3 0.2 1 254 17 17 A C8 C 141.7 0.2 1 255 18 18 A H1' H 6.068 0.02 1 256 18 18 A H2 H 7.933 0.02 1 257 18 18 A H2' H 4.793 0.02 1 258 18 18 A H3' H 4.89 0.02 1 259 18 18 A H4' H 4.594 0.02 1 260 18 18 A H5' H 4.42 0.02 1 261 18 18 A H5'' H 4.41 0.02 1 262 18 18 A H8 H 8.341 0.02 1 263 18 18 A C1' C 90.2 0.2 1 264 18 18 A C2 C 154.3 0.2 1 265 18 18 A C2' C 76.5 0.2 1 266 18 18 A C3' C 75.6 0.2 1 267 18 18 A C4' C 83.4 0.2 1 268 18 18 A C5' C 66.9 0.2 1 269 18 18 A C8 C 141.6 0.2 1 270 19 19 G H1' H 5.225 0.02 1 271 19 19 G H2' H 4.658 0.02 1 272 19 19 G H3' H 4.361 0.02 1 273 19 19 G H4' H 4.499 0.02 1 274 19 19 G H5' H 4.19 0.02 1 275 19 19 G H5'' H 4.26 0.02 1 276 19 19 G H8 H 7.656 0.02 1 277 19 19 G C1' C 92.5 0.2 1 278 19 19 G C2' C 74.9 0.2 1 279 19 19 G C3' C 74.2 0.2 1 280 19 19 G C4' C 82.1 0.2 1 281 19 19 G C5' C 68.6 0.2 1 282 19 19 G C8 C 137.2 0.2 1 283 20 20 A H1' H 5.756 0.02 1 284 20 20 A H2 H 6.97 0.02 1 285 20 20 A H2' H 4.64 0.02 1 286 20 20 A H3' H 4.304 0.02 1 287 20 20 A H4' H 4.352 0.02 1 288 20 20 A H5' H 4.256 0.02 1 289 20 20 A H5'' H 4.3 0.02 1 290 20 20 A H8 H 7.721 0.02 1 291 20 20 A C1' C 93.1 0.2 1 292 20 20 A C2 C 152.7 0.2 1 293 20 20 A C2' C 72.1 0.2 1 294 20 20 A C3' C 75 0.2 1 295 20 20 A C4' C 82 0.2 1 296 20 20 A C5' C 65.2 0.2 1 297 20 20 A C8 C 139.4 0.2 1 298 21 21 A H1' H 5.766 0.02 1 299 21 21 A H2 H 7.637 0.02 1 300 21 21 A H2' H 4.477 0.02 1 301 21 21 A H3' H 4.6 0.02 1 302 21 21 A H4' H 4.53 0.02 1 303 21 21 A H5' H 4.205 0.02 1 304 21 21 A H5'' H 4.65 0.02 1 305 21 21 A H8 H 7.728 0.02 1 306 21 21 A C1' C 93.3 0.2 1 307 21 21 A C2 C 153.4 0.2 1 308 21 21 A C2' C 75.33 0.2 1 309 21 21 A C3' C 72.45 0.2 1 310 21 21 A C4' C 81.38 0.2 1 311 21 21 A C5' C 64.2 0.2 1 312 21 21 A C8 C 138.7 0.2 1 313 22 22 C H1' H 5.398 0.02 1 314 22 22 C H2' H 4.58 0.02 1 315 22 22 C H3' H 4.559 0.02 1 316 22 22 C H4' H 4.376 0.02 1 317 22 22 C H5 H 5.053 0.02 1 318 22 22 C H5' H 4.411 0.02 1 319 22 22 C H5'' H 4.58 0.02 1 320 22 22 C H6 H 7.304 0.02 1 321 22 22 C C1' C 93 0.2 1 322 22 22 C C2' C 75.02 0.2 1 323 22 22 C C3' C 74.2 0.2 1 324 22 22 C C4' C 82.3 0.2 1 325 22 22 C C5 C 96.7 0.2 1 326 22 22 C C5' C 64.3 0.2 1 327 22 22 C C6 C 140.2 0.2 1 328 23 23 G H1 H 11.32 0.02 1 329 23 23 G H1' H 5.615 0.02 1 330 23 23 G H2' H 4.443 0.02 1 331 23 23 G H3' H 4.2 0.02 1 332 23 23 G H4' H 4.498 0.02 1 333 23 23 G H5' H 4.222 0.02 1 334 23 23 G H5'' H 4.466 0.02 1 335 23 23 G H8 H 7.354 0.02 1 336 23 23 G C1' C 93.7 0.2 1 337 23 23 G C2' C 74.2 0.2 1 338 23 23 G C3' C 71.22 0.2 1 339 23 23 G C4' C 83.68 0.2 1 340 23 23 G C5' C 64.88 0.2 1 341 23 23 G C8 C 137.9 0.2 1 342 24 24 U H1' H 5.383 0.02 1 343 24 24 U H2' H 4.38 0.02 1 344 24 24 U H3 H 13.76 0.02 1 345 24 24 U H3' H 4.633 0.02 1 346 24 24 U H4' H 4.28 0.02 1 347 24 24 U H5 H 5.05 0.02 1 348 24 24 U H5' H 4.16 0.02 1 349 24 24 U H5'' H 4.65 0.02 1 350 24 24 U H6 H 7.546 0.02 1 351 24 24 U C1' C 93.23 0.2 1 352 24 24 U C2' C 73.88 0.2 1 353 24 24 U C3' C 74.77 0.2 1 354 24 24 U C4' C 82.63 0.2 1 355 24 24 U C5 C 103.4 0.2 1 356 24 24 U C5' C 65 0.2 1 357 24 24 U C6 C 139.4 0.2 1 358 25 25 G H1 H 12.2 0.02 1 359 25 25 G H1' H 5.738 0.02 1 360 25 25 G H2' H 4.61 0.02 1 361 25 25 G H3' H 4.406 0.02 1 362 25 25 G H4' H 4.478 0.02 1 363 25 25 G H5' H 4.102 0.02 1 364 25 25 G H5'' H 4.539 0.02 1 365 25 25 G H8 H 7.572 0.02 1 366 25 25 G C1' C 92.44 0.2 1 367 25 25 G C2' C 75.39 0.2 1 368 25 25 G C3' C 73.4 0.2 1 369 25 25 G C4' C 83 0.2 1 370 25 25 G C5' C 64.34 0.2 1 371 25 25 G C8 C 138 0.2 1 372 26 26 G H1 H 13.2 0.02 1 373 26 26 G H1' H 5.598 0.02 1 374 26 26 G H2' H 4.555 0.02 1 375 26 26 G H3' H 4.388 0.02 1 376 26 26 G H4' H 4.377 0.02 1 377 26 26 G H5' H 4.214 0.02 1 378 26 26 G H5'' H 4.444 0.02 1 379 26 26 G H8 H 7.152 0.02 1 380 26 26 G C1' C 93.2 0.2 1 381 26 26 G C2' C 73.99 0.2 1 382 26 26 G C3' C 75.2 0.2 1 383 26 26 G C4' C 82.47 0.2 1 384 26 26 G C5' C 65.3 0.2 1 385 26 26 G C8 C 137.4 0.2 1 386 27 27 U H1' H 5.39 0.02 1 387 27 27 U H2' H 4.477 0.02 1 388 27 27 U H3 H 13.67 0.02 1 389 27 27 U H3' H 4.433 0.02 1 390 27 27 U H4' H 4.45 0.02 1 391 27 27 U H5 H 5.019 0.02 1 392 27 27 U H5' H 4.301 0.02 1 393 27 27 U H5'' H 4.564 0.02 1 394 27 27 U H6 H 7.661 0.02 1 395 27 27 U C1' C 93.2 0.2 1 396 27 27 U C2' C 75 0.2 1 397 27 27 U C3' C 76.3 0.2 1 398 27 27 U C4' C 83.22 0.2 1 399 27 27 U C5 C 102.1 0.2 1 400 27 27 U C5' C 66.03 0.2 1 401 27 27 U C6 C 141.2 0.2 1 402 28 28 A H1' H 5.929 0.02 1 403 28 28 A H2 H 7.029 0.02 1 404 28 28 A H2' H 4.2 0.02 1 405 28 28 A H3' H 4.404 0.02 1 406 28 28 A H4' H 4.38 0.02 1 407 28 28 A H5' H 4.142 0.02 1 408 28 28 A H5'' H 4.49 0.02 1 409 28 28 A H8 H 8.075 0.02 1 410 28 28 A C1' C 92.7 0.2 1 411 28 28 A C2 C 152.6 0.2 1 412 28 28 A C2' C 74.66 0.2 1 413 28 28 A C3' C 73.2 0.2 1 414 28 28 A C4' C 81.33 0.2 1 415 28 28 A C5' C 63.9 0.2 1 416 28 28 A C8 C 139.2 0.2 1 417 29 29 U H1' H 5.372 0.02 1 418 29 29 U H2' H 4.475 0.02 1 419 29 29 U H3 H 14.09 0.02 1 420 29 29 U H3' H 4.43 0.02 1 421 29 29 U H4' H 3.694 0.02 1 422 29 29 U H5 H 4.944 0.02 1 423 29 29 U H5' H 4.19 0.02 1 424 29 29 U H5'' H 4.61 0.02 1 425 29 29 U H6 H 7.571 0.02 1 426 29 29 U C1' C 93.66 0.2 1 427 29 29 U C2' C 74.9 0.2 1 428 29 29 U C3' C 75.2 0.2 1 429 29 29 U C4' C 81.3 0.2 1 430 29 29 U C5 C 102.6 0.2 1 431 29 29 U C5' C 66.56 0.2 1 432 29 29 U C6 C 138.9 0.2 1 433 30 30 C H1' H 5.458 0.02 1 434 30 30 C H2' H 4.26 0.02 1 435 30 30 C H3' H 4.43 0.02 1 436 30 30 C H4' H 4.2 0.02 1 437 30 30 C H5 H 5.47 0.02 1 438 30 30 C H5' H 4.36 0.02 1 439 30 30 C H5'' H 4.71 0.02 1 440 30 30 C H6 H 7.645 0.02 1 441 30 30 C C1' C 94.1 0.2 1 442 30 30 C C2' C 74.77 0.2 1 443 30 30 C C3' C 73.48 0.2 1 444 30 30 C C4' C 82.43 0.2 1 445 30 30 C C5 C 95.2 0.2 1 446 30 30 C C5' C 65.23 0.2 1 447 30 30 C C6 C 140.7 0.2 1 448 31 31 U H1' H 5.554 0.02 1 449 31 31 U H2' H 4.188 0.02 1 450 31 31 U H3 H 12 0.02 1 451 31 31 U H3' H 4.332 0.02 1 452 31 31 U H4' H 4.337 0.02 1 453 31 31 U H5 H 5.541 0.02 1 454 31 31 U H5' H 4.233 0.02 1 455 31 31 U H5'' H 4.56 0.02 1 456 31 31 U H6 H 7.797 0.02 1 457 31 31 U C1' C 94.45 0.2 1 458 31 31 U C2' C 75.33 0.2 1 459 31 31 U C3' C 71.88 0.2 1 460 31 31 U C4' C 81.22 0.2 1 461 31 31 U C5 C 104.4 0.2 1 462 31 31 U C5' C 64.66 0.2 1 463 31 31 U C6 C 140.2 0.2 1 464 32 32 C H1' H 5.728 0.02 1 465 32 32 C H2' H 4.02 0.02 1 466 32 32 C H3' H 4.18 0.02 1 467 32 32 C H4' H 4.17 0.02 1 468 32 32 C H5 H 5.589 0.02 1 469 32 32 C H5' H 4.04 0.02 1 470 32 32 C H5'' H 4.48 0.02 1 471 32 32 C H6 H 7.757 0.02 1 472 32 32 C C1' C 92.9 0.2 1 473 32 32 C C2' C 77.4 0.2 1 474 32 32 C C3' C 69.3 0.2 1 475 32 32 C C4' C 83.2 0.2 1 476 32 32 C C5 C 95.93 0.2 1 477 32 32 C C5' C 64.71 0.2 1 478 32 32 C C6 C 141.5 0.2 1 stop_ save_