data_16230 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Yeast Prp24-RRM2 Bound to a Fragment of U6 RNA ; _BMRB_accession_number 16230 _BMRB_flat_file_name bmr16230.str _Entry_type new _Submission_date 2009-03-27 _Accession_date 2009-03-27 _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 Martin-Tumasz Stephen A . 2 Butcher Samuel E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 544 "13C chemical shifts" 367 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-19 update author "add related PDB entry" 2009-11-13 update BMRB 'complete entry citation' 2009-09-04 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 7070 'RRMs 1 and 2 of Prp24 from S. cerevisiae' stop_ save_ ############################# # Citation for this entry # ############################# save_Peak_Assignment _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N resonance assignments of a ribonucleoprotein complex consisting of Prp24-RRM2 bound to a fragment of U6 RNA.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19693704 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martin-Tumasz Stephen . . 2 Butcher Samuel E. . stop_ _Journal_abbreviation 'Biomol NMR Assign' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 227 _Page_last 230 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'U6 snRNP (small fragment)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Prp24-RRM2 $Prp24-RRM2 AGAGAU $AGAGAU stop_ _System_molecular_weight 11838.821 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Prp24-RRM2 bound to AGAGAU from U6 snRNA' save_ ######################## # Monomeric polymers # ######################## save_Prp24-RRM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Prp24-RRM2 _Molecular_mass 10012.586 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; MTECTLWMTNFPPSYTQRNI RDLLQDINVVALSIRLPSLR FNTSRRFAYIDVTSKEDARY CVEKLNGLKIEGYTLVTKVS NPLELEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 GLU 4 CYS 5 THR 6 LEU 7 TRP 8 MET 9 THR 10 ASN 11 PHE 12 PRO 13 PRO 14 SER 15 TYR 16 THR 17 GLN 18 ARG 19 ASN 20 ILE 21 ARG 22 ASP 23 LEU 24 LEU 25 GLN 26 ASP 27 ILE 28 ASN 29 VAL 30 VAL 31 ALA 32 LEU 33 SER 34 ILE 35 ARG 36 LEU 37 PRO 38 SER 39 LEU 40 ARG 41 PHE 42 ASN 43 THR 44 SER 45 ARG 46 ARG 47 PHE 48 ALA 49 TYR 50 ILE 51 ASP 52 VAL 53 THR 54 SER 55 LYS 56 GLU 57 ASP 58 ALA 59 ARG 60 TYR 61 CYS 62 VAL 63 GLU 64 LYS 65 LEU 66 ASN 67 GLY 68 LEU 69 LYS 70 ILE 71 GLU 72 GLY 73 TYR 74 THR 75 LEU 76 VAL 77 THR 78 LYS 79 VAL 80 SER 81 ASN 82 PRO 83 LEU 84 GLU 85 LEU 86 GLU 87 HIS 88 HIS 89 HIS 90 HIS 91 HIS 92 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-21 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 16243 Prp24-RRM23 91.30 186 100.00 100.00 1.00e-53 BMRB 16244 Prp24-RRM23 91.30 186 100.00 100.00 1.00e-53 BMRB 16246 Prp24-RRM2 100.00 92 100.00 100.00 2.37e-61 PDB 2GHP "Crystal Structure Of The N-Terminal 3 Rna Binding Domains Of The Yeast Splicing Factor Prp24" 91.30 292 97.62 98.81 3.10e-51 PDB 2GO9 "Rrm Domains 1 And 2 Of Prp24 From S. Cerevisiae" 91.30 161 98.81 100.00 2.72e-53 PDB 2KH9 "Solution Structure Of Yeast Prp24-Rrm2 Bound To A Fragment Of U6 Rna" 100.00 92 100.00 100.00 2.37e-61 PDB 4N0T "Core Structure Of The U6 Small Nuclear Ribonucleoprotein At 1.7 Angstrom Resolution" 91.30 374 98.81 100.00 2.38e-51 DBJ GAA25719 "K7_Prp24p [Saccharomyces cerevisiae Kyokai no. 7]" 91.30 444 98.81 100.00 6.70e-51 EMBL CAA89251 "U6sNRPp [Saccharomyces cerevisiae]" 91.30 444 98.81 100.00 5.48e-51 EMBL CAY82100 "Prp24p [Saccharomyces cerevisiae EC1118]" 91.30 444 98.81 100.00 5.48e-51 GB AAU09775 "YMR268C [Saccharomyces cerevisiae]" 90.22 444 98.80 100.00 3.05e-50 GB AHY76723 "Prp24p [Saccharomyces cerevisiae YJM993]" 91.30 444 98.81 100.00 5.48e-51 GB AJP40962 "Prp24p [Saccharomyces cerevisiae YJM1078]" 91.30 444 98.81 100.00 5.43e-51 GB AJS62134 "Prp24p [Saccharomyces cerevisiae YJM189]" 91.30 444 98.81 100.00 5.48e-51 GB AJS62569 "Prp24p [Saccharomyces cerevisiae YJM193]" 91.30 444 98.81 100.00 5.72e-51 REF NP_013995 "U6 snRNP complex subunit PRP24 [Saccharomyces cerevisiae S288c]" 91.30 444 98.81 100.00 5.48e-51 SP P49960 "RecName: Full=U4/U6 snRNA-associated-splicing factor PRP24; Short=U4/U6 snRNP protein" 91.30 444 98.81 100.00 5.48e-51 TPG DAA10168 "TPA: U6 snRNP complex subunit PRP24 [Saccharomyces cerevisiae S288c]" 91.30 444 98.81 100.00 5.48e-51 stop_ save_ save_AGAGAU _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common AGAGAU _Molecular_mass 1826.235 _Mol_thiol_state 'not present' _Details . _Residue_count 6 _Mol_residue_sequence AGAGAU loop_ _Residue_seq_code _Residue_label 1 A 2 G 3 A 4 G 5 A 6 U stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide Prp24-RRM2 4 CYS SG Prp24-RRM2 61 CYS SG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Prp24-RRM2 yeast 4932 Eukaryota Fungi Saccharomyces cerevisiae $AGAGAU 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 $Prp24-RRM2 'recombinant technology' . . . BL21 pET21-b $AGAGAU 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Unlabeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Prp24-RRM2 300 uM 'natural abundance' $AGAGAU 3 mM 'natural abundance' TRIS 10 mM [U-2H] 'potassium chloride' 50 mM 'natural abundance' D20 100 % 'natural abundance' stop_ save_ save_Fully_Labeled,_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Prp24-RRM2 500 uM '[U-99% 15N]' $AGAGAU 5 mM 'natural abundance' TRIS 10 mM [U-2H] 'potassium chloride' 50 mM 'natural abundance' D20 100 % 'natural abundance' stop_ save_ save_Fully_Labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Prp24-RRM2 500 mM '[U-99% 13C; U-99% 15N]' $AGAGAU 5 mM 'natural abundance' TRIS 10 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_Referencing _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Prp24-RRM2 500 uM '[U-99% 13C; U-99% 15N]' $AGAGAU 5 mM 'natural abundance' TRIS 10 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' DSS 10 uM 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_Aligned _Saveframe_category sample _Sample_type bicelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Prp24-RRM2 300 uM '[U-99% 13C; U-99% 15N]' $AGAGAU 3 mM 'natural abundance' TRIS 10 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' 'DMPC/DHPC 3:1' 6.5 % 'natural abundance' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . 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_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' 'chemical shift assignment' stop_ _Details . save_ save_AtnosCandid _Saveframe_category software _Name AtnosCandid _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, T; Guentert, P; Wuethrich, K' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' 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_HADDOCK _Saveframe_category software _Name HADDOCK _Version 2 loop_ _Vendor _Address _Electronic_address 'Dominguez, C; Boelens, R; Bonvin, A M M J' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_750 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model DMX _Field_strength 750 _Details . save_ save_900 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_800 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $Referencing save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Fully_Labeled save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $Fully_Labeled,_D2O save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Fully_Labeled save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $Fully_Labeled save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Fully_Labeled save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Fully_Labeled save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $Fully_Labeled save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $Fully_Labeled save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Fully_Labeled save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $Fully_Labeled,_D2O save_ save_2D_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $Fully_Labeled,_D2O save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $Unlabeled save_ save_2D_1H-15N_HSQC-IPAP_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-IPAP' _Sample_label $Fully_Labeled save_ save_2D_1H-15N_HSQC-IPAP_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-IPAP' _Sample_label $Aligned save_ save_3D_J_modulated_CHSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D J modulated CHSQC' _Sample_label $Fully_Labeled save_ save_3D_J_modulated_CHSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D J modulated CHSQC' _Sample_label $Aligned save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298.15 . K pH 7 . pH pressure 1.0 . atm 'ionic strength' 50 . 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 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $Fully_Labeled $Fully_Labeled,_D2O $Unlabeled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Prp24-RRM2 _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 1 114 1 MET C C 177.466 0.4 1 2 115 2 THR H H 8.415 0.02 1 3 115 2 THR HA H 4.465 0.02 1 4 115 2 THR HB H 4.332 0.02 1 5 115 2 THR HG2 H 1.293 0.02 1 6 115 2 THR C C 174.437 0.4 1 7 115 2 THR CA C 62.472 0.4 1 8 115 2 THR CB C 70.329 0.4 1 9 115 2 THR CG2 C 22.071 0.4 1 10 115 2 THR N N 120.586 0.4 1 11 116 3 GLU H H 8.748 0.02 1 12 116 3 GLU HA H 4.301 0.02 1 13 116 3 GLU HB2 H 2.229 0.02 2 14 116 3 GLU HB3 H 2.229 0.02 2 15 116 3 GLU HG2 H 2.316 0.02 2 16 116 3 GLU HG3 H 2.316 0.02 2 17 116 3 GLU C C 175.675 0.4 1 18 116 3 GLU CA C 58.073 0.4 1 19 116 3 GLU CB C 29.779 0.4 1 20 116 3 GLU CG C 37.243 0.4 1 21 116 3 GLU N N 120.309 0.4 1 22 117 4 CYS H H 8.02 0.02 1 23 117 4 CYS HA H 4.606 0.02 1 24 117 4 CYS HB2 H 2.738 0.02 2 25 117 4 CYS HB3 H 2.977 0.02 2 26 117 4 CYS C C 172.966 0.4 1 27 117 4 CYS CA C 58.592 0.4 1 28 117 4 CYS CB C 29.441 0.4 1 29 117 4 CYS N N 115.129 0.4 1 30 118 5 THR H H 8.328 0.02 1 31 118 5 THR HA H 5.592 0.02 1 32 118 5 THR HB H 3.951 0.02 1 33 118 5 THR HG2 H 1.535 0.02 1 34 118 5 THR C C 173.849 0.4 1 35 118 5 THR CA C 62.432 0.4 1 36 118 5 THR CB C 71.829 0.4 1 37 118 5 THR CG2 C 22.826 0.4 1 38 118 5 THR N N 119.21 0.4 1 39 119 6 LEU H H 10.076 0.02 1 40 119 6 LEU HA H 5.129 0.02 1 41 119 6 LEU HB2 H 1.427 0.02 2 42 119 6 LEU HB3 H 1.869 0.02 2 43 119 6 LEU HD1 H 0.875 0.02 2 44 119 6 LEU HD2 H 0.91 0.02 2 45 119 6 LEU HG H 0.885 0.02 1 46 119 6 LEU C C 175.211 0.4 1 47 119 6 LEU CA C 53.455 0.4 1 48 119 6 LEU CB C 45.387 0.4 1 49 119 6 LEU CD1 C 25.103 0.4 2 50 119 6 LEU CD2 C 25.341 0.4 2 51 119 6 LEU CG C 26.679 0.4 1 52 119 6 LEU N N 126.798 0.4 1 53 120 7 TRP H H 9.346 0.02 1 54 120 7 TRP HA H 5.314 0.02 1 55 120 7 TRP HB2 H 2.764 0.02 2 56 120 7 TRP HB3 H 2.764 0.02 2 57 120 7 TRP HD1 H 6.585 0.02 1 58 120 7 TRP HE3 H 6.815 0.02 1 59 120 7 TRP HZ3 H 6.964 0.02 1 60 120 7 TRP C C 174.476 0.4 1 61 120 7 TRP CA C 56.423 0.4 1 62 120 7 TRP CB C 32.344 0.4 1 63 120 7 TRP N N 122.304 0.4 1 64 121 8 MET H H 8.513 0.02 1 65 121 8 MET HA H 5.418 0.02 1 66 121 8 MET HB2 H 1.728 0.02 2 67 121 8 MET HB3 H 1.728 0.02 2 68 121 8 MET HG2 H 2.324 0.02 2 69 121 8 MET HG3 H 2.451 0.02 2 70 121 8 MET C C 174.442 0.4 1 71 121 8 MET CA C 53.419 0.4 1 72 121 8 MET CB C 39.288 0.4 1 73 121 8 MET CG C 31.904 0.4 1 74 121 8 MET N N 124.864 0.4 1 75 122 9 THR H H 8.548 0.02 1 76 122 9 THR HA H 4.259 0.02 1 77 122 9 THR HB H 3.028 0.02 1 78 122 9 THR HG2 H 0.623 0.02 1 79 122 9 THR C C 171.239 0.4 1 80 122 9 THR CA C 60.312 0.4 1 81 122 9 THR CB C 69.945 0.4 1 82 122 9 THR CG2 C 19.138 0.4 1 83 122 9 THR N N 115.676 0.4 1 84 123 10 ASN H H 7.982 0.02 1 85 123 10 ASN HA H 4.088 0.02 1 86 123 10 ASN HB2 H 2.566 0.02 2 87 123 10 ASN HB3 H 3.689 0.02 2 88 123 10 ASN HD21 H 6.996 0.02 2 89 123 10 ASN HD22 H 7.96 0.02 2 90 123 10 ASN C C 172.443 0.4 1 91 123 10 ASN CA C 54.35 0.4 1 92 123 10 ASN CB C 38.34 0.4 1 93 123 10 ASN N N 118.728 0.4 1 94 123 10 ASN ND2 N 112.309 0.4 1 95 124 11 PHE H H 6.015 0.02 1 96 124 11 PHE HA H 4.512 0.02 1 97 124 11 PHE HB2 H 2.368 0.02 2 98 124 11 PHE HB3 H 2.484 0.02 2 99 124 11 PHE HD1 H 6.708 0.02 3 100 124 11 PHE HD2 H 6.708 0.02 3 101 124 11 PHE HE1 H 6.93 0.02 3 102 124 11 PHE HE2 H 6.93 0.02 3 103 124 11 PHE CA C 52.191 0.4 1 104 124 11 PHE CB C 37.409 0.4 1 105 124 11 PHE N N 108.331 0.4 1 106 125 12 PRO HB2 H 1.988 0.02 2 107 125 12 PRO HB3 H 1.999 0.02 2 108 125 12 PRO HD2 H 2.018 0.02 2 109 125 12 PRO HD3 H 3.047 0.02 2 110 125 12 PRO HG2 H 1.425 0.02 2 111 125 12 PRO HG3 H 1.496 0.02 2 112 125 12 PRO CB C 27.685 0.4 1 113 125 12 PRO CD C 49.619 0.4 1 114 125 12 PRO CG C 27.291 0.4 1 115 126 13 PRO HA H 4.232 0.02 1 116 126 13 PRO HB2 H 2.002 0.02 2 117 126 13 PRO HB3 H 2.272 0.02 2 118 126 13 PRO HD2 H 3.235 0.02 2 119 126 13 PRO HD3 H 3.585 0.02 2 120 126 13 PRO HG2 H 2.037 0.02 2 121 126 13 PRO HG3 H 2.075 0.02 2 122 126 13 PRO C C 177.033 0.4 1 123 126 13 PRO CA C 64.994 0.4 1 124 126 13 PRO CB C 32.074 0.4 1 125 126 13 PRO CD C 51.855 0.4 1 126 126 13 PRO CG C 27.526 0.4 1 127 127 14 SER H H 7.569 0.02 1 128 127 14 SER HA H 4.342 0.02 1 129 127 14 SER HB2 H 3.892 0.02 2 130 127 14 SER HB3 H 4.134 0.02 2 131 127 14 SER C C 175.662 0.4 1 132 127 14 SER CA C 58.474 0.4 1 133 127 14 SER CB C 63.556 0.4 1 134 127 14 SER N N 108.947 0.4 1 135 128 15 TYR H H 8.03 0.02 1 136 128 15 TYR HA H 4.523 0.02 1 137 128 15 TYR HB2 H 2.35 0.02 2 138 128 15 TYR HB3 H 3.588 0.02 2 139 128 15 TYR HD1 H 6.642 0.02 3 140 128 15 TYR HD2 H 6.642 0.02 3 141 128 15 TYR HE1 H 7.004 0.02 3 142 128 15 TYR HE2 H 7.004 0.02 3 143 128 15 TYR C C 177.025 0.4 1 144 128 15 TYR CA C 58.877 0.4 1 145 128 15 TYR CB C 38.631 0.4 1 146 128 15 TYR N N 124.193 0.4 1 147 129 16 THR H H 8.777 0.02 1 148 129 16 THR HA H 4.564 0.02 1 149 129 16 THR HB H 4.638 0.02 1 150 129 16 THR HG2 H 1.301 0.02 1 151 129 16 THR C C 175.863 0.4 1 152 129 16 THR CA C 59.619 0.4 1 153 129 16 THR CB C 72.58 0.4 1 154 129 16 THR CG2 C 21.485 0.4 1 155 129 16 THR N N 112.331 0.4 1 156 130 17 GLN H H 9.298 0.02 1 157 130 17 GLN HA H 3.596 0.02 1 158 130 17 GLN HB2 H 1.967 0.02 2 159 130 17 GLN HB3 H 2.103 0.02 2 160 130 17 GLN HE21 H 7.641 0.02 2 161 130 17 GLN HE22 H 6.916 0.02 2 162 130 17 GLN HG2 H 2.276 0.02 2 163 130 17 GLN HG3 H 2.335 0.02 2 164 130 17 GLN C C 177.294 0.4 1 165 130 17 GLN CA C 60.816 0.4 1 166 130 17 GLN CB C 28.114 0.4 1 167 130 17 GLN CG C 34.318 0.4 1 168 130 17 GLN N N 118.5 0.4 1 169 130 17 GLN NE2 N 112.503 0.4 1 170 131 18 ARG H H 7.935 0.02 1 171 131 18 ARG HA H 3.856 0.02 1 172 131 18 ARG HB2 H 1.564 0.02 2 173 131 18 ARG HB3 H 1.796 0.02 2 174 131 18 ARG HD2 H 3.087 0.02 2 175 131 18 ARG HD3 H 3.087 0.02 2 176 131 18 ARG HG2 H 1.493 0.02 2 177 131 18 ARG HG3 H 1.554 0.02 2 178 131 18 ARG C C 177.478 0.4 1 179 131 18 ARG CA C 58.982 0.4 1 180 131 18 ARG CB C 29.971 0.4 1 181 131 18 ARG CD C 43.208 0.4 1 182 131 18 ARG CG C 26.751 0.4 1 183 131 18 ARG N N 117.98 0.4 1 184 132 19 ASN H H 7.079 0.02 1 185 132 19 ASN HA H 4.17 0.02 1 186 132 19 ASN HB2 H 1.352 0.02 2 187 132 19 ASN HB3 H 1.687 0.02 2 188 132 19 ASN HD21 H 6.866 0.02 2 189 132 19 ASN HD22 H 7.918 0.02 2 190 132 19 ASN C C 177.845 0.4 1 191 132 19 ASN CA C 56.873 0.4 1 192 132 19 ASN CB C 38.2 0.4 1 193 132 19 ASN N N 114.519 0.4 1 194 132 19 ASN ND2 N 109.863 0.4 1 195 133 20 ILE H H 7.234 0.02 1 196 133 20 ILE HA H 3.416 0.02 1 197 133 20 ILE HB H 1.669 0.02 1 198 133 20 ILE HD1 H -0.027 0.02 1 199 133 20 ILE HG12 H 1.229 0.02 2 200 133 20 ILE HG13 H 0.567 0.02 2 201 133 20 ILE HG2 H 0.638 0.02 1 202 133 20 ILE C C 176.655 0.4 1 203 133 20 ILE CA C 65.087 0.4 1 204 133 20 ILE CB C 37.683 0.4 1 205 133 20 ILE CD1 C 12.349 0.4 1 206 133 20 ILE CG1 C 29.295 0.4 1 207 133 20 ILE CG2 C 17.988 0.4 1 208 133 20 ILE N N 118.821 0.4 1 209 134 21 ARG H H 8.257 0.02 1 210 134 21 ARG HA H 3.616 0.02 1 211 134 21 ARG HB2 H 1.776 0.02 2 212 134 21 ARG HB3 H 1.776 0.02 2 213 134 21 ARG HD2 H 3.12 0.02 2 214 134 21 ARG HD3 H 3.296 0.02 2 215 134 21 ARG HG2 H 1.5 0.02 2 216 134 21 ARG HG3 H 1.5 0.02 2 217 134 21 ARG C C 179.566 0.4 1 218 134 21 ARG CA C 60.933 0.4 1 219 134 21 ARG CB C 29.875 0.4 1 220 134 21 ARG CD C 43.446 0.4 1 221 134 21 ARG CG C 27.683 0.4 1 222 134 21 ARG N N 120.527 0.4 1 223 135 22 ASP H H 8.17 0.02 1 224 135 22 ASP HA H 4.324 0.02 1 225 135 22 ASP HB2 H 2.682 0.02 2 226 135 22 ASP HB3 H 2.682 0.02 2 227 135 22 ASP C C 177.914 0.4 1 228 135 22 ASP CA C 57.733 0.4 1 229 135 22 ASP CB C 40.068 0.4 1 230 135 22 ASP N N 119.563 0.4 1 231 136 23 LEU H H 7.454 0.02 1 232 136 23 LEU HA H 4.121 0.02 1 233 136 23 LEU HB2 H 1.693 0.02 2 234 136 23 LEU HB3 H 1.953 0.02 2 235 136 23 LEU HD1 H 0.912 0.02 2 236 136 23 LEU HD2 H 0.929 0.02 2 237 136 23 LEU HG H 1.744 0.02 1 238 136 23 LEU C C 179.028 0.4 1 239 136 23 LEU CA C 58.104 0.4 1 240 136 23 LEU CB C 42.506 0.4 1 241 136 23 LEU CD1 C 25.035 0.4 2 242 136 23 LEU CD2 C 25.733 0.4 2 243 136 23 LEU CG C 30.322 0.4 1 244 136 23 LEU N N 120.956 0.4 1 245 137 24 LEU H H 7.361 0.02 1 246 137 24 LEU HA H 4.021 0.02 1 247 137 24 LEU HB2 H 1.588 0.02 2 248 137 24 LEU HB3 H 1.935 0.02 2 249 137 24 LEU HD1 H 0.715 0.02 2 250 137 24 LEU HD2 H 0.749 0.02 2 251 137 24 LEU HG H 1.677 0.02 1 252 137 24 LEU C C 179.719 0.4 1 253 137 24 LEU CA C 58.626 0.4 1 254 137 24 LEU CB C 40.547 0.4 1 255 137 24 LEU CD1 C 26.025 0.4 2 256 137 24 LEU CD2 C 25.859 0.4 2 257 137 24 LEU CG C 30.716 0.4 1 258 137 24 LEU N N 117.328 0.4 1 259 138 25 GLN H H 8.568 0.02 1 260 138 25 GLN HA H 4.069 0.02 1 261 138 25 GLN HB2 H 2.268 0.02 2 262 138 25 GLN HB3 H 2.268 0.02 2 263 138 25 GLN HE21 H 7.515 0.02 2 264 138 25 GLN HE22 H 6.804 0.02 2 265 138 25 GLN HG2 H 2.469 0.02 2 266 138 25 GLN HG3 H 2.469 0.02 2 267 138 25 GLN C C 180.538 0.4 1 268 138 25 GLN CA C 59.331 0.4 1 269 138 25 GLN CB C 28.781 0.4 1 270 138 25 GLN CG C 34.681 0.4 1 271 138 25 GLN N N 121.124 0.4 1 272 138 25 GLN NE2 N 111.686 0.4 1 273 139 26 ASP H H 8.111 0.02 1 274 139 26 ASP HA H 4.544 0.02 1 275 139 26 ASP HB2 H 2.734 0.02 2 276 139 26 ASP HB3 H 3.004 0.02 2 277 139 26 ASP C C 178.195 0.4 1 278 139 26 ASP CA C 57.284 0.4 1 279 139 26 ASP CB C 41.121 0.4 1 280 139 26 ASP N N 120.271 0.4 1 281 140 27 ILE H H 7.282 0.02 1 282 140 27 ILE HA H 4.745 0.02 1 283 140 27 ILE HB H 2.363 0.02 1 284 140 27 ILE HD1 H 0.866 0.02 1 285 140 27 ILE HG12 H 1.683 0.02 2 286 140 27 ILE HG13 H 1.467 0.02 2 287 140 27 ILE HG2 H 0.884 0.02 1 288 140 27 ILE C C 175.309 0.4 1 289 140 27 ILE CA C 61.225 0.4 1 290 140 27 ILE CB C 38.134 0.4 1 291 140 27 ILE CD1 C 15.863 0.4 1 292 140 27 ILE CG1 C 27.007 0.4 1 293 140 27 ILE CG2 C 17.942 0.4 1 294 140 27 ILE N N 109.951 0.4 1 295 141 28 ASN H H 8.188 0.02 1 296 141 28 ASN HA H 4.336 0.02 1 297 141 28 ASN HB2 H 2.877 0.02 2 298 141 28 ASN HB3 H 3.186 0.02 2 299 141 28 ASN HD21 H 6.841 0.02 2 300 141 28 ASN HD22 H 7.539 0.02 2 301 141 28 ASN C C 174.186 0.4 1 302 141 28 ASN CA C 54.772 0.4 1 303 141 28 ASN CB C 37.4 0.4 1 304 141 28 ASN N N 116.515 0.4 1 305 141 28 ASN ND2 N 112.084 0.4 1 306 142 29 VAL H H 8.141 0.02 1 307 142 29 VAL HA H 4.281 0.02 1 308 142 29 VAL HB H 1.7 0.02 1 309 142 29 VAL HG1 H 1.068 0.02 2 310 142 29 VAL HG2 H 0.77 0.02 2 311 142 29 VAL C C 174.921 0.4 1 312 142 29 VAL CA C 61.913 0.4 1 313 142 29 VAL CB C 34.548 0.4 1 314 142 29 VAL CG1 C 22.288 0.4 2 315 142 29 VAL CG2 C 22.185 0.4 2 316 142 29 VAL N N 119.288 0.4 1 317 143 30 VAL H H 8.513 0.02 1 318 143 30 VAL HA H 3.846 0.02 1 319 143 30 VAL HB H 1.972 0.02 1 320 143 30 VAL HG1 H 0.834 0.02 2 321 143 30 VAL HG2 H 0.938 0.02 2 322 143 30 VAL C C 175.545 0.4 1 323 143 30 VAL CA C 62.468 0.4 1 324 143 30 VAL CB C 32.862 0.4 1 325 143 30 VAL CG1 C 21.528 0.4 2 326 143 30 VAL CG2 C 21.25 0.4 2 327 143 30 VAL N N 127.244 0.4 1 328 144 31 ALA H H 8.424 0.02 1 329 144 31 ALA HA H 4.562 0.02 1 330 144 31 ALA HB H 1.215 0.02 1 331 144 31 ALA C C 177.379 0.4 1 332 144 31 ALA CA C 50.92 0.4 1 333 144 31 ALA CB C 19.924 0.4 1 334 144 31 ALA N N 128.491 0.4 1 335 145 32 LEU H H 8.884 0.02 1 336 145 32 LEU HA H 4.277 0.02 1 337 145 32 LEU HB2 H 1.54 0.02 2 338 145 32 LEU HB3 H 1.54 0.02 2 339 145 32 LEU HD1 H 0.831 0.02 1 340 145 32 LEU HD2 H 0.831 0.02 1 341 145 32 LEU HG H 0.813 0.02 1 342 145 32 LEU C C 177.938 0.4 1 343 145 32 LEU CA C 56.253 0.4 1 344 145 32 LEU CB C 42.272 0.4 1 345 145 32 LEU CD1 C 22.462 0.4 1 346 145 32 LEU CD2 C 22.462 0.4 1 347 145 32 LEU CG C 25.55 0.4 1 348 145 32 LEU N N 123.674 0.4 1 349 146 33 SER H H 7.263 0.02 1 350 146 33 SER HA H 4.487 0.02 1 351 146 33 SER HB2 H 3.635 0.02 2 352 146 33 SER HB3 H 3.914 0.02 2 353 146 33 SER C C 173.04 0.4 1 354 146 33 SER CA C 58.305 0.4 1 355 146 33 SER CB C 64.612 0.4 1 356 146 33 SER N N 110.149 0.4 1 357 147 34 ILE H H 8.43 0.02 1 358 147 34 ILE HA H 4.778 0.02 1 359 147 34 ILE HB H 1.567 0.02 1 360 147 34 ILE HD1 H 0.745 0.02 1 361 147 34 ILE HG12 H 1.594 0.02 2 362 147 34 ILE HG13 H 1.55 0.02 2 363 147 34 ILE HG2 H 0.866 0.02 1 364 147 34 ILE C C 174.793 0.4 1 365 147 34 ILE CA C 61.374 0.4 1 366 147 34 ILE CB C 41.442 0.4 1 367 147 34 ILE CD1 C 14.653 0.4 1 368 147 34 ILE CG1 C 28.796 0.4 1 369 147 34 ILE CG2 C 17.501 0.4 1 370 147 34 ILE N N 125.048 0.4 1 371 148 35 ARG H H 9.487 0.02 1 372 148 35 ARG HA H 4.722 0.02 1 373 148 35 ARG HB2 H 1.862 0.02 2 374 148 35 ARG HB3 H 2.036 0.02 2 375 148 35 ARG HD2 H 3.341 0.02 2 376 148 35 ARG HD3 H 3.351 0.02 2 377 148 35 ARG C C 174.663 0.4 1 378 148 35 ARG CA C 55.677 0.4 1 379 148 35 ARG CB C 33.203 0.4 1 380 148 35 ARG CD C 42.075 0.4 1 381 148 35 ARG N N 127.041 0.4 1 382 149 36 LEU H H 8.726 0.02 1 383 149 36 LEU HA H 5.161 0.02 1 384 149 36 LEU CA C 52.782 0.4 1 385 149 36 LEU CB C 43.278 0.4 1 386 149 36 LEU N N 125.993 0.4 1 387 150 37 PRO HA H 4.472 0.02 1 388 150 37 PRO HB2 H 1.882 0.02 2 389 150 37 PRO HB3 H 1.882 0.02 2 390 150 37 PRO HD2 H 3.73 0.02 2 391 150 37 PRO HD3 H 3.73 0.02 2 392 150 37 PRO HG2 H 2.03 0.02 2 393 150 37 PRO HG3 H 2.03 0.02 2 394 150 37 PRO C C 176.611 0.4 1 395 150 37 PRO CA C 62.977 0.4 1 396 150 37 PRO CB C 32.836 0.4 1 397 150 37 PRO CD C 50.952 0.4 1 398 150 37 PRO CG C 27.835 0.4 1 399 151 38 SER H H 8.541 0.02 1 400 151 38 SER HA H 4.336 0.02 1 401 151 38 SER HB2 H 3.865 0.02 2 402 151 38 SER HB3 H 3.865 0.02 2 403 151 38 SER C C 174.701 0.4 1 404 151 38 SER CA C 58.941 0.4 1 405 151 38 SER CB C 63.825 0.4 1 406 151 38 SER N N 116.242 0.4 1 407 152 39 LEU H H 8.401 0.02 1 408 152 39 LEU HA H 4.416 0.02 1 409 152 39 LEU HB2 H 1.577 0.02 2 410 152 39 LEU HB3 H 1.577 0.02 2 411 152 39 LEU HD1 H 0.862 0.02 2 412 152 39 LEU HD2 H 0.873 0.02 2 413 152 39 LEU HG H 1.656 0.02 1 414 152 39 LEU C C 177.971 0.4 1 415 152 39 LEU CA C 55.382 0.4 1 416 152 39 LEU CB C 42.432 0.4 1 417 152 39 LEU CD1 C 25.624 0.4 2 418 152 39 LEU CD2 C 23.935 0.4 2 419 152 39 LEU CG C 27.04 0.4 1 420 152 39 LEU N N 123.867 0.4 1 421 153 40 ARG H H 8.569 0.02 1 422 153 40 ARG HA H 4.077 0.02 1 423 153 40 ARG HB2 H 1.491 0.02 2 424 153 40 ARG HB3 H 1.559 0.02 2 425 153 40 ARG HD2 H 2.97 0.02 2 426 153 40 ARG HD3 H 2.97 0.02 2 427 153 40 ARG HG2 H 1.183 0.02 2 428 153 40 ARG HG3 H 1.36 0.02 2 429 153 40 ARG C C 176.351 0.4 1 430 153 40 ARG CA C 57.383 0.4 1 431 153 40 ARG CB C 31.199 0.4 1 432 153 40 ARG CD C 43.45 0.4 1 433 153 40 ARG CG C 27.313 0.4 1 434 153 40 ARG N N 121.564 0.4 1 435 154 41 PHE H H 8.019 0.02 1 436 154 41 PHE HA H 4.759 0.02 1 437 154 41 PHE HB2 H 3.202 0.02 2 438 154 41 PHE HB3 H 2.941 0.02 2 439 154 41 PHE HD1 H 7.13 0.02 3 440 154 41 PHE HD2 H 7.13 0.02 3 441 154 41 PHE HE1 H 7.19 0.02 3 442 154 41 PHE HE2 H 7.19 0.02 3 443 154 41 PHE C C 176.296 0.4 1 444 154 41 PHE CA C 57.05 0.4 1 445 154 41 PHE CB C 40.443 0.4 1 446 154 41 PHE N N 116.718 0.4 1 447 155 42 ASN H H 8.727 0.02 1 448 155 42 ASN HA H 4.619 0.02 1 449 155 42 ASN HB2 H 2.888 0.02 2 450 155 42 ASN HB3 H 2.888 0.02 2 451 155 42 ASN HD21 H 6.98 0.02 2 452 155 42 ASN HD22 H 7.685 0.02 2 453 155 42 ASN C C 175.853 0.4 1 454 155 42 ASN CA C 54.621 0.4 1 455 155 42 ASN CB C 38.263 0.4 1 456 155 42 ASN N N 118.985 0.4 1 457 155 42 ASN ND2 N 112.214 0.4 1 458 156 43 THR H H 7.763 0.02 1 459 156 43 THR HA H 4.431 0.02 1 460 156 43 THR HB H 4.473 0.02 1 461 156 43 THR HG2 H 1.252 0.02 1 462 156 43 THR C C 175.043 0.4 1 463 156 43 THR CA C 61.842 0.4 1 464 156 43 THR CB C 69.639 0.4 1 465 156 43 THR CG2 C 22.009 0.4 1 466 156 43 THR N N 109.745 0.4 1 467 157 44 SER H H 8.148 0.02 1 468 157 44 SER HA H 4.535 0.02 1 469 157 44 SER HB2 H 4.002 0.02 2 470 157 44 SER HB3 H 4.047 0.02 2 471 157 44 SER C C 174.038 0.4 1 472 157 44 SER CA C 59.741 0.4 1 473 157 44 SER CB C 64.388 0.4 1 474 157 44 SER N N 118.028 0.4 1 475 158 45 ARG H H 8.274 0.02 1 476 158 45 ARG HA H 4.411 0.02 1 477 158 45 ARG HB2 H 1.813 0.02 2 478 158 45 ARG HB3 H 1.813 0.02 2 479 158 45 ARG HD2 H 3.208 0.02 2 480 158 45 ARG HD3 H 3.208 0.02 2 481 158 45 ARG HG2 H 1.652 0.02 2 482 158 45 ARG HG3 H 1.652 0.02 2 483 158 45 ARG C C 175.641 0.4 1 484 158 45 ARG CA C 55.808 0.4 1 485 158 45 ARG CB C 31.177 0.4 1 486 158 45 ARG CD C 44.001 0.4 1 487 158 45 ARG CG C 27.105 0.4 1 488 158 45 ARG N N 122.361 0.4 1 489 159 46 ARG H H 8.247 0.02 1 490 159 46 ARG HA H 4.237 0.02 1 491 159 46 ARG HB2 H 1.427 0.02 2 492 159 46 ARG HB3 H 1.577 0.02 2 493 159 46 ARG HD2 H 3.193 0.02 2 494 159 46 ARG HD3 H 3.193 0.02 2 495 159 46 ARG C C 175.381 0.4 1 496 159 46 ARG CA C 56.588 0.4 1 497 159 46 ARG CB C 31.625 0.4 1 498 159 46 ARG CD C 43.966 0.4 1 499 159 46 ARG N N 121.619 0.4 1 500 160 47 PHE H H 7.738 0.02 1 501 160 47 PHE HA H 5.173 0.02 1 502 160 47 PHE HB2 H 2.561 0.02 2 503 160 47 PHE HB3 H 2.594 0.02 2 504 160 47 PHE HD1 H 6.925 0.02 3 505 160 47 PHE HD2 H 6.925 0.02 3 506 160 47 PHE HE1 H 6.605 0.02 3 507 160 47 PHE HE2 H 6.605 0.02 3 508 160 47 PHE C C 172.415 0.4 1 509 160 47 PHE CA C 55.875 0.4 1 510 160 47 PHE CB C 41.685 0.4 1 511 160 47 PHE N N 119.925 0.4 1 512 161 48 ALA H H 8.895 0.02 1 513 161 48 ALA HA H 5.309 0.02 1 514 161 48 ALA HB H 1.062 0.02 1 515 161 48 ALA C C 175.442 0.4 1 516 161 48 ALA CA C 50.394 0.4 1 517 161 48 ALA CB C 23.664 0.4 1 518 161 48 ALA N N 119.619 0.4 1 519 162 49 TYR H H 8.817 0.02 1 520 162 49 TYR HA H 5.754 0.02 1 521 162 49 TYR HB2 H 2.659 0.02 2 522 162 49 TYR HB3 H 2.962 0.02 2 523 162 49 TYR HD1 H 6.902 0.02 3 524 162 49 TYR HD2 H 6.902 0.02 3 525 162 49 TYR HE1 H 6.871 0.02 3 526 162 49 TYR HE2 H 6.871 0.02 3 527 162 49 TYR C C 176.214 0.4 1 528 162 49 TYR CA C 57.181 0.4 1 529 162 49 TYR CB C 41.741 0.4 1 530 162 49 TYR N N 117.031 0.4 1 531 163 50 ILE H H 9.166 0.02 1 532 163 50 ILE HA H 4.983 0.02 1 533 163 50 ILE HB H 1.754 0.02 1 534 163 50 ILE HD1 H 0.795 0.02 1 535 163 50 ILE HG12 H 0.839 0.02 1 536 163 50 ILE HG13 H 1.446 0.02 2 537 163 50 ILE C C 175.107 0.4 1 538 163 50 ILE CA C 60.053 0.4 1 539 163 50 ILE CB C 43.408 0.4 1 540 163 50 ILE CD1 C 16.464 0.4 1 541 163 50 ILE CG1 C 28.899 0.4 1 542 163 50 ILE CG2 C 19.678 0.4 1 543 163 50 ILE N N 121.568 0.4 1 544 164 51 ASP H H 8.821 0.02 1 545 164 51 ASP HA H 5.624 0.02 1 546 164 51 ASP HB2 H 2.672 0.02 2 547 164 51 ASP HB3 H 2.811 0.02 2 548 164 51 ASP C C 175.983 0.4 1 549 164 51 ASP CA C 53.913 0.4 1 550 164 51 ASP CB C 42.334 0.4 1 551 164 51 ASP N N 127.282 0.4 1 552 165 52 VAL H H 9.014 0.02 1 553 165 52 VAL HA H 4.966 0.02 1 554 165 52 VAL HB H 2.742 0.02 1 555 165 52 VAL HG1 H 0.901 0.02 2 556 165 52 VAL HG2 H 0.892 0.02 2 557 165 52 VAL C C 176.41 0.4 1 558 165 52 VAL CA C 59.783 0.4 1 559 165 52 VAL CB C 34.496 0.4 1 560 165 52 VAL CG1 C 22.863 0.4 2 561 165 52 VAL CG2 C 19.188 0.4 2 562 165 52 VAL N N 115.078 0.4 1 563 166 53 THR H H 9.351 0.02 1 564 166 53 THR HA H 4.101 0.02 1 565 166 53 THR HB H 4.383 0.02 1 566 166 53 THR HG2 H 1.318 0.02 1 567 166 53 THR C C 174.497 0.4 1 568 166 53 THR CA C 65.992 0.4 1 569 166 53 THR CB C 70.223 0.4 1 570 166 53 THR CG2 C 22.105 0.4 1 571 166 53 THR N N 111.211 0.4 1 572 167 54 SER H H 7.477 0.02 1 573 167 54 SER HA H 5.053 0.02 1 574 167 54 SER HB2 H 3.985 0.02 2 575 167 54 SER HB3 H 4.378 0.02 2 576 167 54 SER C C 174.932 0.4 1 577 167 54 SER CA C 57.099 0.4 1 578 167 54 SER CB C 67.9 0.4 1 579 167 54 SER N N 110.431 0.4 1 580 168 55 LYS H H 9.159 0.02 1 581 168 55 LYS HA H 4.256 0.02 1 582 168 55 LYS HB2 H 1.896 0.02 2 583 168 55 LYS HB3 H 1.896 0.02 2 584 168 55 LYS HD2 H 1.767 0.02 2 585 168 55 LYS HD3 H 1.767 0.02 2 586 168 55 LYS HE2 H 3.057 0.02 2 587 168 55 LYS HE3 H 3.057 0.02 2 588 168 55 LYS HG2 H 1.542 0.02 2 589 168 55 LYS HG3 H 1.542 0.02 2 590 168 55 LYS CA C 59.133 0.4 1 591 168 55 LYS CB C 32.509 0.4 1 592 168 55 LYS CD C 29.741 0.4 1 593 168 55 LYS CE C 42.387 0.4 1 594 168 55 LYS CG C 25.251 0.4 1 595 168 55 LYS N N 122.312 0.4 1 596 169 56 GLU H H 8.813 0.02 1 597 169 56 GLU HA H 4.091 0.02 1 598 169 56 GLU HB2 H 1.963 0.02 2 599 169 56 GLU HB3 H 2.162 0.02 2 600 169 56 GLU HG2 H 2.263 0.02 2 601 169 56 GLU HG3 H 2.55 0.02 2 602 169 56 GLU C C 179.574 0.4 1 603 169 56 GLU CA C 60.963 0.4 1 604 169 56 GLU CB C 28.661 0.4 1 605 169 56 GLU CG C 37.498 0.4 1 606 169 56 GLU N N 121.144 0.4 1 607 170 57 ASP H H 8.154 0.02 1 608 170 57 ASP HA H 4.612 0.02 1 609 170 57 ASP HB2 H 2.528 0.02 2 610 170 57 ASP HB3 H 2.898 0.02 2 611 170 57 ASP C C 179.147 0.4 1 612 170 57 ASP CA C 57.774 0.4 1 613 170 57 ASP CB C 40.8 0.4 1 614 170 57 ASP N N 121.159 0.4 1 615 171 58 ALA H H 7.965 0.02 1 616 171 58 ALA HA H 3.995 0.02 1 617 171 58 ALA HB H 1.532 0.02 1 618 171 58 ALA C C 178.592 0.4 1 619 171 58 ALA CA C 56.4 0.4 1 620 171 58 ALA CB C 18.521 0.4 1 621 171 58 ALA N N 122.705 0.4 1 622 172 59 ARG H H 8.174 0.02 1 623 172 59 ARG HA H 3.915 0.02 1 624 172 59 ARG HB2 H 2.014 0.02 2 625 172 59 ARG HB3 H 2.014 0.02 2 626 172 59 ARG HD2 H 3.269 0.02 2 627 172 59 ARG HD3 H 3.269 0.02 2 628 172 59 ARG HG2 H 1.71 0.02 2 629 172 59 ARG HG3 H 1.877 0.02 2 630 172 59 ARG C C 179.157 0.4 1 631 172 59 ARG CA C 59.887 0.4 1 632 172 59 ARG CB C 30.208 0.4 1 633 172 59 ARG CD C 43.582 0.4 1 634 172 59 ARG CG C 27.527 0.4 1 635 172 59 ARG N N 116.838 0.4 1 636 173 60 TYR H H 8.213 0.02 1 637 173 60 TYR HA H 4.414 0.02 1 638 173 60 TYR HB2 H 3.207 0.02 2 639 173 60 TYR HB3 H 3.296 0.02 2 640 173 60 TYR HD1 H 7.144 0.02 3 641 173 60 TYR HD2 H 7.144 0.02 3 642 173 60 TYR HE1 H 7.009 0.02 3 643 173 60 TYR HE2 H 7.009 0.02 3 644 173 60 TYR C C 177.436 0.4 1 645 173 60 TYR CA C 61.291 0.4 1 646 173 60 TYR CB C 39.008 0.4 1 647 173 60 TYR N N 121.199 0.4 1 648 174 61 CYS H H 8.346 0.02 1 649 174 61 CYS HA H 3.826 0.02 1 650 174 61 CYS HB2 H 2.289 0.02 2 651 174 61 CYS HB3 H 3.416 0.02 2 652 174 61 CYS C C 177.196 0.4 1 653 174 61 CYS CA C 64.521 0.4 1 654 174 61 CYS CB C 28.564 0.4 1 655 174 61 CYS N N 115.377 0.4 1 656 175 62 VAL H H 7.885 0.02 1 657 175 62 VAL HA H 3.355 0.02 1 658 175 62 VAL HB H 2.232 0.02 1 659 175 62 VAL HG1 H 1.054 0.02 2 660 175 62 VAL HG2 H 1.03 0.02 2 661 175 62 VAL C C 178.162 0.4 1 662 175 62 VAL CA C 67.623 0.4 1 663 175 62 VAL CB C 31.97 0.4 1 664 175 62 VAL CG1 C 23.807 0.4 2 665 175 62 VAL CG2 C 21.644 0.4 2 666 175 62 VAL N N 118.953 0.4 1 667 176 63 GLU H H 7.999 0.02 1 668 176 63 GLU HA H 3.971 0.02 1 669 176 63 GLU HB2 H 2.091 0.02 2 670 176 63 GLU HB3 H 2.206 0.02 2 671 176 63 GLU HG2 H 2.218 0.02 2 672 176 63 GLU HG3 H 2.428 0.02 2 673 176 63 GLU C C 179.419 0.4 1 674 176 63 GLU CA C 59.684 0.4 1 675 176 63 GLU CB C 29.855 0.4 1 676 176 63 GLU CG C 36.67 0.4 1 677 176 63 GLU N N 118.07 0.4 1 678 177 64 LYS H H 8.003 0.02 1 679 177 64 LYS HA H 4.201 0.02 1 680 177 64 LYS HB2 H 1.641 0.02 2 681 177 64 LYS HB3 H 1.641 0.02 2 682 177 64 LYS HD2 H 1.467 0.02 2 683 177 64 LYS HD3 H 1.52 0.02 2 684 177 64 LYS HE2 H 2.809 0.02 2 685 177 64 LYS HE3 H 2.809 0.02 2 686 177 64 LYS HG2 H 0.8 0.02 2 687 177 64 LYS HG3 H 1.023 0.02 2 688 177 64 LYS C C 178.845 0.4 1 689 177 64 LYS CA C 56.415 0.4 1 690 177 64 LYS CB C 33.278 0.4 1 691 177 64 LYS CD C 27.486 0.4 1 692 177 64 LYS CE C 42.324 0.4 1 693 177 64 LYS CG C 23.771 0.4 1 694 177 64 LYS N N 113.685 0.4 1 695 178 65 LEU H H 8.438 0.02 1 696 178 65 LEU HA H 4.565 0.02 1 697 178 65 LEU HB2 H 1.899 0.02 2 698 178 65 LEU HB3 H 1.899 0.02 2 699 178 65 LEU HD1 H 0.684 0.02 2 700 178 65 LEU HD2 H 0.734 0.02 2 701 178 65 LEU HG H 1.42 0.02 1 702 178 65 LEU C C 178.214 0.4 1 703 178 65 LEU CA C 55.622 0.4 1 704 178 65 LEU CB C 43.024 0.4 1 705 178 65 LEU CD1 C 23.256 0.4 2 706 178 65 LEU CD2 C 26.438 0.4 2 707 178 65 LEU N N 115.284 0.4 1 708 179 66 ASN H H 8.025 0.02 1 709 179 66 ASN HA H 4.44 0.02 1 710 179 66 ASN HB2 H 3.147 0.02 2 711 179 66 ASN HB3 H 3.147 0.02 2 712 179 66 ASN HD21 H 6.912 0.02 2 713 179 66 ASN HD22 H 7.78 0.02 2 714 179 66 ASN C C 176.989 0.4 1 715 179 66 ASN CA C 56.766 0.4 1 716 179 66 ASN CB C 39.402 0.4 1 717 179 66 ASN N N 116.06 0.4 1 718 179 66 ASN ND2 N 114.04 0.4 1 719 180 67 GLY H H 9.004 0.02 1 720 180 67 GLY HA2 H 3.522 0.02 2 721 180 67 GLY HA3 H 4.296 0.02 2 722 180 67 GLY C C 173.733 0.4 1 723 180 67 GLY CA C 45.619 0.4 1 724 180 67 GLY N N 116.738 0.4 1 725 181 68 LEU H H 7.492 0.02 1 726 181 68 LEU HA H 4.136 0.02 1 727 181 68 LEU HB2 H 1.626 0.02 2 728 181 68 LEU HB3 H 1.857 0.02 2 729 181 68 LEU HD1 H 0.961 0.02 2 730 181 68 LEU HD2 H 1.028 0.02 2 731 181 68 LEU HG H 1.581 0.02 1 732 181 68 LEU C C 175.679 0.4 1 733 181 68 LEU CA C 56.243 0.4 1 734 181 68 LEU CB C 43.975 0.4 1 735 181 68 LEU CD1 C 24.119 0.4 2 736 181 68 LEU CD2 C 26.634 0.4 2 737 181 68 LEU CG C 30 0.4 1 738 181 68 LEU N N 123.471 0.4 1 739 182 69 LYS H H 8.3 0.02 1 740 182 69 LYS HA H 5.156 0.02 1 741 182 69 LYS HB2 H 1.659 0.02 2 742 182 69 LYS HB3 H 1.757 0.02 2 743 182 69 LYS HD2 H 1.62 0.02 2 744 182 69 LYS HD3 H 1.62 0.02 2 745 182 69 LYS HE2 H 2.943 0.02 2 746 182 69 LYS HE3 H 2.943 0.02 2 747 182 69 LYS HG2 H 1.382 0.02 2 748 182 69 LYS HG3 H 1.382 0.02 2 749 182 69 LYS C C 176.994 0.4 1 750 182 69 LYS CA C 55.535 0.4 1 751 182 69 LYS CB C 32.806 0.4 1 752 182 69 LYS CD C 29.381 0.4 1 753 182 69 LYS CE C 42.223 0.4 1 754 182 69 LYS CG C 25.179 0.4 1 755 182 69 LYS N N 125.409 0.4 1 756 183 70 ILE H H 9.083 0.02 1 757 183 70 ILE HA H 4.332 0.02 1 758 183 70 ILE HB H 1.743 0.02 1 759 183 70 ILE HD1 H 0.947 0.02 1 760 183 70 ILE HG12 H 1.098 0.02 2 761 183 70 ILE HG13 H 1.537 0.02 2 762 183 70 ILE HG2 H 0.935 0.02 1 763 183 70 ILE C C 175.251 0.4 1 764 183 70 ILE CA C 60.351 0.4 1 765 183 70 ILE CB C 40.818 0.4 1 766 183 70 ILE CD1 C 14.534 0.4 1 767 183 70 ILE CG1 C 26.841 0.4 1 768 183 70 ILE CG2 C 18.457 0.4 1 769 183 70 ILE N N 126.04 0.4 1 770 184 71 GLU H H 9.258 0.02 1 771 184 71 GLU HA H 3.879 0.02 1 772 184 71 GLU HB2 H 2.188 0.02 2 773 184 71 GLU HB3 H 2.378 0.02 2 774 184 71 GLU HG2 H 2.358 0.02 2 775 184 71 GLU HG3 H 2.358 0.02 2 776 184 71 GLU C C 176.075 0.4 1 777 184 71 GLU CA C 57.665 0.4 1 778 184 71 GLU CB C 28.127 0.4 1 779 184 71 GLU CG C 36.918 0.4 1 780 184 71 GLU N N 123.643 0.4 1 781 185 72 GLY H H 8.324 0.02 1 782 185 72 GLY HA2 H 3.515 0.02 2 783 185 72 GLY HA3 H 4.055 0.02 2 784 185 72 GLY C C 174.599 0.4 1 785 185 72 GLY CA C 45.5 0.4 1 786 185 72 GLY N N 103.337 0.4 1 787 186 73 TYR H H 8.499 0.02 1 788 186 73 TYR HA H 4.278 0.02 1 789 186 73 TYR HB2 H 3.005 0.02 2 790 186 73 TYR HB3 H 3.107 0.02 2 791 186 73 TYR HD1 H 7.032 0.02 3 792 186 73 TYR HD2 H 7.032 0.02 3 793 186 73 TYR HE1 H 6.8 0.02 3 794 186 73 TYR HE2 H 6.8 0.02 3 795 186 73 TYR C C 175.557 0.4 1 796 186 73 TYR CA C 58.604 0.4 1 797 186 73 TYR CB C 38.975 0.4 1 798 186 73 TYR N N 122.901 0.4 1 799 187 74 THR H H 8.334 0.02 1 800 187 74 THR HA H 4.556 0.02 1 801 187 74 THR HB H 4.017 0.02 1 802 187 74 THR HG2 H 1.097 0.02 1 803 187 74 THR CA C 62.508 0.4 1 804 187 74 THR CB C 68.989 0.4 1 805 187 74 THR CG2 C 21.859 0.4 1 806 187 74 THR N N 118.748 0.4 1 807 188 75 LEU H H 9.141 0.02 1 808 188 75 LEU HA H 4.149 0.02 1 809 188 75 LEU HB2 H 1.844 0.02 2 810 188 75 LEU HB3 H 1.844 0.02 2 811 188 75 LEU C C 175.606 0.4 1 812 188 75 LEU CA C 56.837 0.4 1 813 188 75 LEU CB C 44.134 0.4 1 814 188 75 LEU N N 130.891 0.4 1 815 189 76 VAL H H 8.087 0.02 1 816 189 76 VAL HA H 4.673 0.02 1 817 189 76 VAL HB H 1.707 0.02 1 818 189 76 VAL HG1 H 0.943 0.02 2 819 189 76 VAL HG2 H 0.968 0.02 2 820 189 76 VAL CA C 61.431 0.4 1 821 189 76 VAL CB C 34.174 0.4 1 822 189 76 VAL CG1 C 21.274 0.4 2 823 189 76 VAL CG2 C 20.979 0.4 2 824 189 76 VAL N N 125.014 0.4 1 825 190 77 THR H H 8.811 0.02 1 826 190 77 THR HA H 5.188 0.02 1 827 190 77 THR HB H 3.699 0.02 1 828 190 77 THR HG2 H 1.005 0.02 1 829 190 77 THR C C 172.333 0.4 1 830 190 77 THR CA C 62.006 0.4 1 831 190 77 THR CB C 72.325 0.4 1 832 190 77 THR CG2 C 22.354 0.4 1 833 190 77 THR N N 121.167 0.4 1 834 191 78 LYS H H 9.094 0.02 1 835 191 78 LYS HA H 4.793 0.02 1 836 191 78 LYS HB2 H 1.637 0.02 2 837 191 78 LYS HB3 H 1.963 0.02 2 838 191 78 LYS HD2 H 1.626 0.02 2 839 191 78 LYS HD3 H 1.775 0.02 2 840 191 78 LYS HE2 H 2.992 0.02 2 841 191 78 LYS HE3 H 2.992 0.02 2 842 191 78 LYS HG2 H 1.379 0.02 2 843 191 78 LYS HG3 H 1.538 0.02 2 844 191 78 LYS C C 175.4 0.4 1 845 191 78 LYS CA C 54.856 0.4 1 846 191 78 LYS CB C 37.592 0.4 1 847 191 78 LYS CD C 29.764 0.4 1 848 191 78 LYS CE C 42.301 0.4 1 849 191 78 LYS CG C 25.037 0.4 1 850 191 78 LYS N N 123.094 0.4 1 851 192 79 VAL H H 8.669 0.02 1 852 192 79 VAL HA H 4.116 0.02 1 853 192 79 VAL HB H 2.06 0.02 1 854 192 79 VAL HG1 H 1.001 0.02 2 855 192 79 VAL HG2 H 1.069 0.02 2 856 192 79 VAL C C 176.73 0.4 1 857 192 79 VAL CA C 64.644 0.4 1 858 192 79 VAL CB C 32.167 0.4 1 859 192 79 VAL CG1 C 22.196 0.4 1 860 192 79 VAL N N 121.137 0.4 1 861 193 80 SER H H 8.991 0.02 1 862 193 80 SER CA C 58.845 0.4 1 863 193 80 SER CB C 64.43 0.4 1 864 193 80 SER N N 122.498 0.4 1 865 194 81 ASN H H 9.145 0.02 1 866 194 81 ASN HD21 H 7.086 0.02 2 867 194 81 ASN HD22 H 7.628 0.02 2 868 194 81 ASN N N 123.884 0.4 1 869 194 81 ASN ND2 N 111.961 0.4 1 870 195 82 PRO HA H 4.262 0.02 1 871 195 82 PRO HB2 H 2.264 0.02 2 872 195 82 PRO HB3 H 2.264 0.02 2 873 195 82 PRO HD2 H 3.785 0.02 2 874 195 82 PRO HD3 H 3.865 0.02 2 875 195 82 PRO HG2 H 1.923 0.02 2 876 195 82 PRO HG3 H 2.013 0.02 2 877 195 82 PRO C C 177.163 0.4 1 878 195 82 PRO CA C 63.91 0.4 1 879 195 82 PRO CB C 32.426 0.4 1 880 195 82 PRO CD C 50.909 0.4 1 881 195 82 PRO CG C 27.494 0.4 1 882 196 83 LEU H H 8.067 0.02 1 883 196 83 LEU HA H 4.183 0.02 1 884 196 83 LEU HB2 H 1.49 0.02 2 885 196 83 LEU HB3 H 1.49 0.02 2 886 196 83 LEU HD1 H 0.704 0.02 2 887 196 83 LEU HD2 H 0.762 0.02 2 888 196 83 LEU C C 177.863 0.4 1 889 196 83 LEU CA C 55.792 0.4 1 890 196 83 LEU CB C 42.215 0.4 1 891 196 83 LEU CD1 C 25.123 0.4 2 892 196 83 LEU CD2 C 23.443 0.4 2 893 196 83 LEU N N 119.735 0.4 1 894 197 84 GLU H H 8.1 0.02 1 895 197 84 GLU HA H 4.207 0.02 1 896 197 84 GLU HB2 H 1.912 0.02 2 897 197 84 GLU HB3 H 1.912 0.02 2 898 197 84 GLU HG2 H 2.184 0.02 2 899 197 84 GLU HG3 H 2.184 0.02 2 900 197 84 GLU C C 176.553 0.4 1 901 197 84 GLU CA C 56.798 0.4 1 902 197 84 GLU CB C 30.221 0.4 1 903 197 84 GLU CG C 36.43 0.4 1 904 197 84 GLU N N 120.386 0.4 1 905 198 85 LEU H H 7.942 0.02 1 906 198 85 LEU HA H 4.16 0.02 1 907 198 85 LEU HB2 H 1.469 0.02 2 908 198 85 LEU HB3 H 1.469 0.02 2 909 198 85 LEU HD2 H 23.453 0.4 2 910 198 85 LEU HG H 1.484 0.02 1 911 198 85 LEU C C 177.697 0.4 1 912 198 85 LEU CA C 55.728 0.4 1 913 198 85 LEU CB C 42.515 0.4 1 914 198 85 LEU CD1 C 25.053 0.4 2 915 198 85 LEU CG C 27.202 0.4 1 916 198 85 LEU N N 121.63 0.4 1 917 199 86 GLU H H 8.222 0.02 1 918 199 86 GLU HA H 4.101 0.02 1 919 199 86 GLU HB2 H 1.846 0.02 2 920 199 86 GLU HB3 H 1.846 0.02 2 921 199 86 GLU HG2 H 2.077 0.02 2 922 199 86 GLU HG3 H 2.147 0.02 2 923 199 86 GLU C C 176.588 0.4 1 924 199 86 GLU CA C 57.17 0.4 1 925 199 86 GLU CB C 30.269 0.4 1 926 199 86 GLU CG C 36.395 0.4 1 927 199 86 GLU N N 119.94 0.4 1 928 200 87 HIS H H 8.15 0.02 1 929 200 87 HIS HA H 4.718 0.02 1 930 200 87 HIS HB2 H 3.056 0.02 2 931 200 87 HIS HB3 H 3.056 0.02 2 932 200 87 HIS C C 174.249 0.4 1 933 200 87 HIS CA C 56.29 0.4 1 934 200 87 HIS CB C 30.458 0.4 1 935 200 87 HIS N N 118.579 0.4 1 936 201 88 HIS H H 8.066 0.02 1 937 201 88 HIS N N 125.056 0.4 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $Fully_Labeled $Fully_Labeled,_D2O $Unlabeled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name AGAGAU _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 A H1' H 5.909 0.02 1 2 1 1 A H2 H 8.028 0.02 1 3 1 1 A H2' H 4.765 0.02 1 4 1 1 A H3' H 4.723 0.02 1 5 1 1 A H4' H 4.721 0.02 1 6 1 1 A H5' H 3.839 0.02 2 7 1 1 A H5'' H 3.8 0.02 2 8 1 1 A H8 H 8.157 0.02 1 9 1 1 A C1' C 88.308 0.4 1 10 1 1 A C2' C 80.350 0.4 1 11 1 1 A C5' C 74.811 0.4 1 12 2 2 G H1' H 5.69 0.02 1 13 2 2 G H2' H 4.723 0.02 1 14 2 2 G H3' H 4.425 0.02 1 15 2 2 G H4' H 4.666 0.02 1 16 2 2 G H5' H 4.277 0.02 2 17 2 2 G H5'' H 4.193 0.02 2 18 2 2 G H8 H 7.889 0.02 1 19 2 2 G C1' C 87.546 0.4 1 20 2 2 G C2' C 81.078 0.4 1 21 2 2 G C4' C 85.039 0.4 1 22 2 2 G C5' C 76.336 0.4 1 23 3 3 A H1' H 5.86 0.02 1 24 3 3 A H2 H 7.965 0.02 1 25 3 3 A H2' H 4.701 0.02 1 26 3 3 A H5' H 3.839 0.02 2 27 3 3 A H5'' H 3.81 0.02 2 28 3 3 A H8 H 8.171 0.02 1 29 3 3 A C1' C 87.678 0.4 1 30 3 3 A C2' C 80.581 0.4 1 31 3 3 A C5' C 74.457 0.4 1 32 4 4 G H1' H 5.65 0.02 1 33 4 4 G H2' H 4.712 0.02 1 34 4 4 G H3' H 4.757 0.02 1 35 4 4 G H4' H 4.509 0.02 1 36 4 4 G H5' H 4.325 0.02 2 37 4 4 G H5'' H 4.224 0.02 2 38 4 4 G H8 H 7.827 0.02 1 39 4 4 G C1' C 87.814 0.4 1 40 4 4 G C2' C 80.222 0.4 1 41 4 4 G C3' C 80.746 0.4 1 42 4 4 G C4' C 84.848 0.4 1 43 4 4 G C5' C 76.291 0.4 1 44 5 5 A H1' H 6.017 0.02 1 45 5 5 A H2 H 8.094 0.02 1 46 5 5 A H2' H 4.678 0.02 1 47 5 5 A H3' H 4.748 0.02 1 48 5 5 A H4' H 4.56 0.02 1 49 5 5 A H5' H 4.408 0.02 2 50 5 5 A H5'' H 4.228 0.02 2 51 5 5 A H8 H 8.259 0.02 1 52 5 5 A C1' C 87.844 0.4 1 53 5 5 A C3' C 80.335 0.4 1 54 5 5 A C4' C 84.791 0.4 1 55 5 5 A C5' C 76.039 0.4 1 56 6 6 U H1' H 5.797 0.02 1 57 6 6 U H2' H 4.209 0.02 1 58 6 6 U H4' H 4.206 0.02 1 59 6 6 U H5 H 5.598 0.02 1 60 6 6 U H5' H 4.093 0.02 2 61 6 6 U H5'' H 4.093 0.02 2 62 6 6 U H6 H 7.719 0.02 1 63 6 6 U C1' C 88.288 0.4 1 64 6 6 U C4' C 85.151 0.4 1 65 6 6 U C5' C 75.965 0.4 1 stop_ save_