data_25469 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of hnRNP C RRM in complex with 5'-UUUUC-3' RNA ; _BMRB_accession_number 25469 _BMRB_flat_file_name bmr25469.str _Entry_type original _Submission_date 2015-02-05 _Accession_date 2015-02-05 _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 Cienikova Zuzana . . 2 Damberger Fred F. . 3 Hall Jonathan . . 4 Allain Frederic H-T . 5 Maris Christophe . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 651 "13C chemical shifts" 428 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-04-09 original BMRB . stop_ _Original_release_date 2015-04-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and mechanistic insights into poly(uridine) tract recognition by the hnRNP C RNA recognition motif. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25216038 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cienikova Zuzana . . 2 Damberger Fred F. . 3 Hall Jonathan . . 4 Allain Frederic H-T . 5 Maris Christophe . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 136 _Journal_issue 41 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14536 _Page_last 14544 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "hnRNP C RRM in complex with 5'-UUUUC-3' RNA" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hnRNP C RRM' $entity_1 "RNA (5'-R(*UP*UP*UP*UP*C)-3')" $RNA_(5'-R(*UP*UP*UP*UP*C)-3') stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 11292.014 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; ASNVTNKTDPRSMNSRVFIG NLNTLVVKKSDVEAIFSKYG KIVGCSVHKGFAFVQYVNER NARAAVAGEDGRMIAGQVLD INLAAEPKVNRGKAGVKRSA AEMYG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 ALA 2 3 SER 3 4 ASN 4 5 VAL 5 6 THR 6 7 ASN 7 8 LYS 8 9 THR 9 10 ASP 10 11 PRO 11 12 ARG 12 13 SER 13 14 MET 14 15 ASN 15 16 SER 16 17 ARG 17 18 VAL 18 19 PHE 19 20 ILE 20 21 GLY 21 22 ASN 22 23 LEU 23 24 ASN 24 25 THR 25 26 LEU 26 27 VAL 27 28 VAL 28 29 LYS 29 30 LYS 30 31 SER 31 32 ASP 32 33 VAL 33 34 GLU 34 35 ALA 35 36 ILE 36 37 PHE 37 38 SER 38 39 LYS 39 40 TYR 40 41 GLY 41 42 LYS 42 43 ILE 43 44 VAL 44 45 GLY 45 46 CYS 46 47 SER 47 48 VAL 48 49 HIS 49 50 LYS 50 51 GLY 51 52 PHE 52 53 ALA 53 54 PHE 54 55 VAL 55 56 GLN 56 57 TYR 57 58 VAL 58 59 ASN 59 60 GLU 60 61 ARG 61 62 ASN 62 63 ALA 63 64 ARG 64 65 ALA 65 66 ALA 66 67 VAL 67 68 ALA 68 69 GLY 69 70 GLU 70 71 ASP 71 72 GLY 72 73 ARG 73 74 MET 74 75 ILE 75 76 ALA 76 77 GLY 77 78 GLN 78 79 VAL 79 80 LEU 80 81 ASP 81 82 ILE 82 83 ASN 83 84 LEU 84 85 ALA 85 86 ALA 86 87 GLU 87 88 PRO 88 89 LYS 89 90 VAL 90 91 ASN 91 92 ARG 92 93 GLY 93 94 LYS 94 95 ALA 95 96 GLY 96 97 VAL 97 98 LYS 98 99 ARG 99 100 SER 100 101 ALA 101 102 ALA 102 103 GLU 103 104 MET 104 105 TYR 105 106 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 25436 hnRNP_C 100.00 105 100.00 100.00 2.11e-68 PDB 2MXY "Solution Structure Of Hnrnp C Rrm In Complex With 5'-auuuuuc-3' Rna" 100.00 105 100.00 100.00 2.11e-68 PDB 2MZ1 "Solution Structure Of Hnrnp C Rrm In Complex With 5'-uuuuc-3' Rna" 100.00 105 100.00 100.00 2.11e-68 DBJ BAB27553 "unnamed protein product [Mus musculus]" 100.00 300 100.00 100.00 8.12e-68 DBJ BAB28370 "unnamed protein product [Mus musculus]" 100.00 300 100.00 100.00 8.12e-68 DBJ BAB31934 "unnamed protein product [Mus musculus]" 100.00 293 100.00 100.00 7.24e-68 DBJ BAC40233 "unnamed protein product [Mus musculus]" 100.00 313 100.00 100.00 7.97e-68 DBJ BAC40499 "unnamed protein product [Mus musculus]" 100.00 306 100.00 100.00 9.24e-68 EMBL CAD61934 "unnamed protein product [Homo sapiens]" 100.00 293 100.00 100.00 7.90e-68 EMBL CAD62326 "unnamed protein product [Homo sapiens]" 100.00 293 100.00 100.00 7.90e-68 EMBL CAH91328 "hypothetical protein [Pongo abelii]" 100.00 306 100.00 100.00 9.85e-68 GB AAA36576 "hnRNP C2 protein [Homo sapiens]" 100.00 303 100.00 100.00 1.44e-67 GB AAA52680 "C protein [Homo sapiens]" 100.00 290 100.00 100.00 1.22e-67 GB AAC61695 "heterogeneous nuclear ribonucleoprotein C [Oryctolagus cuniculus]" 100.00 306 100.00 100.00 8.66e-68 GB AAD03717 "heterogeneous nuclear ribonucleoprotein C1/C2 [Mus musculus]" 100.00 313 100.00 100.00 7.97e-68 GB AAH03394 "Heterogeneous nuclear ribonucleoprotein C (C1/C2) [Homo sapiens]" 100.00 293 100.00 100.00 7.90e-68 REF NP_001029567 "heterogeneous nuclear ribonucleoproteins C1/C2 [Bos taurus]" 100.00 294 100.00 100.00 8.86e-68 REF NP_001070910 "heterogeneous nuclear ribonucleoproteins C1/C2 isoform a [Homo sapiens]" 100.00 306 100.00 100.00 9.85e-68 REF NP_001070911 "heterogeneous nuclear ribonucleoproteins C1/C2 isoform b [Homo sapiens]" 100.00 293 100.00 100.00 7.90e-68 REF NP_001075507 "heterogeneous nuclear ribonucleoprotein C [Oryctolagus cuniculus]" 100.00 306 100.00 100.00 8.66e-68 REF NP_001125784 "heterogeneous nuclear ribonucleoprotein C [Pongo abelii]" 100.00 306 100.00 100.00 9.85e-68 SP G3V9R8 "RecName: Full=Heterogeneous nuclear ribonucleoprotein C; Short=hnRNP C; AltName: Full=hnRNP core protein C" 100.00 298 100.00 100.00 7.11e-68 SP O77768 "RecName: Full=Heterogeneous nuclear ribonucleoprotein C; Short=hnRNP C" 100.00 306 100.00 100.00 8.66e-68 SP P07910 "RecName: Full=Heterogeneous nuclear ribonucleoproteins C1/C2; Short=hnRNP C1/C2" 100.00 306 100.00 100.00 9.85e-68 SP Q5RA82 "RecName: Full=Heterogeneous nuclear ribonucleoprotein C; Short=hnRNP C" 100.00 306 100.00 100.00 9.85e-68 SP Q9Z204 "RecName: Full=Heterogeneous nuclear ribonucleoproteins C1/C2; Short=hnRNP C1/C2" 100.00 313 100.00 100.00 7.97e-68 TPG DAA25480 "TPA: heterogeneous nuclear ribonucleoprotein C [Bos taurus]" 100.00 294 100.00 100.00 8.86e-68 stop_ save_ save_RNA_(5'-R(*UP*UP*UP*UP*C)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*UP*UP*UP*UP*C)-3') _Molecular_mass 1484.899 _Mol_thiol_state 'not present' _Details . _Residue_count 5 _Mol_residue_sequence ; UUUUC ; loop_ _Residue_seq_code _Residue_label 1 U 2 U 3 U 4 U 5 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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $RNA_(5'-R(*UP*UP*UP*UP*C)-3') Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . codon+ pTYB11 $RNA_(5'-R(*UP*UP*UP*UP*C)-3') 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-100% 15N]' $RNA_(5'-R(*UP*UP*UP*UP*C)-3') 1.0 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-100% 13C; U-100% 15N]' $RNA_(5'-R(*UP*UP*UP*UP*C)-3') 1.0 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-100% 13C; U-100% 15N]' $RNA_(5'-R(*UP*UP*UP*UP*C)-3') 1.0 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details 'ff99SB force-field' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVIII _Field_strength 600 _Details 'with cryoprobe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVIII _Field_strength 700 _Details 'with cryoprobe' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVIII _Field_strength 500 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HNCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_edited-filtered_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C edited-filtered NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_filtered-edited_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY filtered-edited' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_filtered-filtered_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY filtered-filtered' _Sample_label $sample_3 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' 0.040 . M pH 6.5 . pH pressure 1 . atm temperature 293 . 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external 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' '2D 1H-13C HSQC' '3D HNCACO' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'hnRNP C RRM' _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 2 1 ALA HA H 4.109 0.002 1 2 2 1 ALA HB H 1.309 0.003 1 3 2 1 ALA CA C 51.241 0.020 1 4 2 1 ALA CB C 19.916 0.011 1 5 3 2 SER HA H 4.553 0.005 1 6 3 2 SER HB2 H 4.233 0.002 2 7 3 2 SER HB3 H 4.080 0.002 2 8 3 2 SER C C 173.408 0.007 1 9 3 2 SER CA C 58.273 0.020 1 10 3 2 SER CB C 63.940 0.009 1 11 4 3 ASN H H 8.774 0.001 1 12 4 3 ASN HA H 5.217 0.006 1 13 4 3 ASN HB2 H 3.208 0.006 2 14 4 3 ASN HB3 H 3.017 0.005 2 15 4 3 ASN HD21 H 7.413 0.002 1 16 4 3 ASN HD22 H 6.905 0.001 1 17 4 3 ASN C C 176.243 0.024 1 18 4 3 ASN CA C 53.044 0.025 1 19 4 3 ASN CB C 38.732 0.018 1 20 4 3 ASN N N 120.235 0.024 1 21 4 3 ASN ND2 N 112.210 0.019 1 22 5 4 VAL H H 8.315 0.003 1 23 5 4 VAL HA H 3.769 0.003 1 24 5 4 VAL HB H 2.112 0.002 1 25 5 4 VAL HG1 H 0.995 0.001 2 26 5 4 VAL HG2 H 1.000 0.003 2 27 5 4 VAL C C 177.223 0.018 1 28 5 4 VAL CA C 65.811 0.016 1 29 5 4 VAL CB C 30.874 0.003 1 30 5 4 VAL CG1 C 21.132 0.015 2 31 5 4 VAL CG2 C 21.147 0.000 2 32 5 4 VAL N N 122.554 0.046 1 33 6 5 THR H H 9.394 0.005 1 34 6 5 THR HA H 4.678 0.005 1 35 6 5 THR HB H 4.506 0.007 1 36 6 5 THR HG2 H 0.876 0.004 1 37 6 5 THR C C 174.350 0.002 1 38 6 5 THR CA C 60.560 0.013 1 39 6 5 THR CB C 69.833 0.037 1 40 6 5 THR CG2 C 20.511 0.014 1 41 6 5 THR N N 118.503 0.034 1 42 7 6 ASN H H 7.976 0.002 1 43 7 6 ASN HA H 4.556 0.003 1 44 7 6 ASN HB2 H 2.892 0.006 2 45 7 6 ASN HB3 H 2.627 0.009 2 46 7 6 ASN HD21 H 7.218 0.003 1 47 7 6 ASN HD22 H 6.503 0.003 1 48 7 6 ASN C C 176.866 0.002 1 49 7 6 ASN CA C 51.897 0.009 1 50 7 6 ASN CB C 38.082 0.016 1 51 7 6 ASN N N 120.872 0.023 1 52 7 6 ASN ND2 N 108.883 0.021 1 53 8 7 LYS H H 8.572 0.005 1 54 8 7 LYS HA H 4.256 0.004 1 55 8 7 LYS HB2 H 1.851 0.005 2 56 8 7 LYS HB3 H 1.908 0.004 2 57 8 7 LYS HG2 H 1.345 0.003 2 58 8 7 LYS HG3 H 1.429 0.002 2 59 8 7 LYS HD2 H 1.626 0.001 1 60 8 7 LYS HD3 H 1.626 0.001 1 61 8 7 LYS HE2 H 2.941 0.004 1 62 8 7 LYS HE3 H 2.941 0.004 1 63 8 7 LYS C C 180.142 0.009 1 64 8 7 LYS CA C 58.200 0.001 1 65 8 7 LYS CB C 32.292 0.003 1 66 8 7 LYS CG C 26.009 0.014 1 67 8 7 LYS CD C 28.844 0.005 1 68 8 7 LYS CE C 42.000 0.021 1 69 8 7 LYS N N 121.728 0.031 1 70 9 8 THR H H 8.691 0.003 1 71 9 8 THR HA H 4.463 0.005 1 72 9 8 THR HB H 4.543 0.009 1 73 9 8 THR HG2 H 1.089 0.005 1 74 9 8 THR C C 174.485 0.000 1 75 9 8 THR CA C 61.246 0.013 1 76 9 8 THR CB C 69.039 0.024 1 77 9 8 THR CG2 C 21.339 0.004 1 78 9 8 THR N N 110.858 0.023 1 79 10 9 ASP H H 7.907 0.002 1 80 10 9 ASP HA H 4.825 0.003 1 81 10 9 ASP HB2 H 2.825 0.003 2 82 10 9 ASP HB3 H 2.648 0.004 2 83 10 9 ASP C C 173.946 0.036 1 84 10 9 ASP CA C 52.564 0.030 1 85 10 9 ASP CB C 39.601 0.006 1 86 10 9 ASP N N 121.014 0.017 1 87 11 10 PRO HA H 4.155 0.002 1 88 11 10 PRO HB2 H 2.388 0.006 2 89 11 10 PRO HB3 H 1.974 0.004 2 90 11 10 PRO HG2 H 2.103 0.006 2 91 11 10 PRO HG3 H 2.193 0.003 2 92 11 10 PRO HD2 H 3.928 0.005 2 93 11 10 PRO HD3 H 3.859 0.002 2 94 11 10 PRO C C 178.421 0.000 1 95 11 10 PRO CA C 66.241 0.015 1 96 11 10 PRO CB C 32.198 0.015 1 97 11 10 PRO CG C 27.897 0.017 1 98 11 10 PRO CD C 50.295 0.013 1 99 12 11 ARG H H 7.940 0.002 1 100 12 11 ARG HA H 4.092 0.002 1 101 12 11 ARG HB2 H 1.913 0.002 1 102 12 11 ARG HB3 H 1.913 0.002 1 103 12 11 ARG HG2 H 1.674 0.003 2 104 12 11 ARG HG3 H 1.812 0.001 2 105 12 11 ARG HD2 H 3.270 0.007 1 106 12 11 ARG HD3 H 3.270 0.007 1 107 12 11 ARG HE H 7.299 0.000 1 108 12 11 ARG C C 180.446 0.009 1 109 12 11 ARG CA C 59.535 0.008 1 110 12 11 ARG CB C 29.250 0.022 1 111 12 11 ARG CG C 27.659 0.024 1 112 12 11 ARG CD C 43.251 0.012 1 113 12 11 ARG N N 116.361 0.033 1 114 13 12 SER H H 8.143 0.001 1 115 13 12 SER HA H 4.052 0.003 1 116 13 12 SER HB2 H 3.609 0.003 2 117 13 12 SER HB3 H 3.350 0.005 2 118 13 12 SER C C 178.762 0.000 1 119 13 12 SER CA C 61.529 0.011 1 120 13 12 SER CB C 61.778 0.036 1 121 13 12 SER N N 119.379 0.032 1 122 14 13 MET H H 8.238 0.002 1 123 14 13 MET HA H 4.097 0.013 1 124 14 13 MET HB2 H 2.368 0.004 2 125 14 13 MET HB3 H 2.508 0.004 2 126 14 13 MET HG2 H 2.034 0.003 2 127 14 13 MET HG3 H 1.919 0.002 2 128 14 13 MET HE H 1.953 0.005 1 129 14 13 MET C C 178.576 0.014 1 130 14 13 MET CA C 58.293 0.018 1 131 14 13 MET CB C 31.813 0.025 1 132 14 13 MET CG C 31.410 0.027 1 133 14 13 MET CE C 16.244 0.017 1 134 14 13 MET N N 120.327 0.023 1 135 15 14 ASN H H 7.968 0.002 1 136 15 14 ASN HA H 4.625 0.006 1 137 15 14 ASN HB2 H 2.806 0.005 2 138 15 14 ASN HB3 H 2.897 0.002 2 139 15 14 ASN HD21 H 7.441 0.004 1 140 15 14 ASN HD22 H 6.789 0.004 1 141 15 14 ASN C C 172.556 0.007 1 142 15 14 ASN CA C 54.029 0.029 1 143 15 14 ASN CB C 38.650 0.004 1 144 15 14 ASN N N 115.378 0.026 1 145 15 14 ASN ND2 N 111.301 0.011 1 146 16 15 SER H H 7.253 0.005 1 147 16 15 SER HA H 4.495 0.007 1 148 16 15 SER HB2 H 3.328 0.003 2 149 16 15 SER HB3 H 3.795 0.002 2 150 16 15 SER C C 172.121 0.022 1 151 16 15 SER CA C 56.785 0.001 1 152 16 15 SER CB C 63.428 0.016 1 153 16 15 SER N N 106.215 0.012 1 154 17 16 ARG H H 7.405 0.007 1 155 17 16 ARG HA H 5.592 0.005 1 156 17 16 ARG HB2 H 1.924 0.008 2 157 17 16 ARG HB3 H 2.126 0.010 2 158 17 16 ARG HG2 H 1.471 0.006 2 159 17 16 ARG HG3 H 1.499 0.011 2 160 17 16 ARG HD2 H 3.137 0.008 2 161 17 16 ARG HD3 H 3.269 0.008 2 162 17 16 ARG HE H 6.820 0.004 1 163 17 16 ARG C C 174.491 0.012 1 164 17 16 ARG CA C 54.379 0.009 1 165 17 16 ARG CB C 32.909 0.019 1 166 17 16 ARG CG C 29.887 0.038 1 167 17 16 ARG CD C 46.537 0.029 1 168 17 16 ARG N N 123.348 0.020 1 169 17 16 ARG NE N 81.712 0.021 1 170 18 17 VAL H H 9.260 0.007 1 171 18 17 VAL HA H 4.709 0.008 1 172 18 17 VAL HB H 1.905 0.002 1 173 18 17 VAL HG1 H 1.014 0.003 2 174 18 17 VAL HG2 H 0.846 0.008 2 175 18 17 VAL C C 174.863 0.046 1 176 18 17 VAL CA C 60.657 0.018 1 177 18 17 VAL CB C 34.302 0.013 1 178 18 17 VAL CG1 C 22.063 0.029 2 179 18 17 VAL CG2 C 23.601 0.000 2 180 18 17 VAL N N 122.328 0.016 1 181 19 18 PHE H H 9.159 0.002 1 182 19 18 PHE HA H 4.466 0.005 1 183 19 18 PHE HB2 H 2.678 0.006 2 184 19 18 PHE HB3 H 2.759 0.006 2 185 19 18 PHE HD1 H 6.744 0.006 1 186 19 18 PHE HD2 H 6.744 0.006 1 187 19 18 PHE HE1 H 6.854 0.004 1 188 19 18 PHE HE2 H 6.854 0.004 1 189 19 18 PHE HZ H 6.978 0.006 1 190 19 18 PHE C C 171.967 0.005 1 191 19 18 PHE CA C 57.109 0.008 1 192 19 18 PHE CB C 41.023 0.027 1 193 19 18 PHE CD1 C 131.851 0.000 1 194 19 18 PHE N N 126.010 0.011 1 195 20 19 ILE H H 7.716 0.003 1 196 20 19 ILE HA H 3.861 0.002 1 197 20 19 ILE HB H 1.141 0.008 1 198 20 19 ILE HG12 H 0.389 0.008 2 199 20 19 ILE HG13 H 0.983 0.005 2 200 20 19 ILE HG2 H 0.597 0.005 1 201 20 19 ILE HD1 H -0.203 0.003 1 202 20 19 ILE C C 173.050 0.037 1 203 20 19 ILE CA C 59.348 0.002 1 204 20 19 ILE CB C 39.200 0.006 1 205 20 19 ILE CG1 C 27.230 0.019 1 206 20 19 ILE CG2 C 20.126 0.008 1 207 20 19 ILE CD1 C 15.837 0.006 1 208 20 19 ILE N N 126.422 0.030 1 209 21 20 GLY H H 8.550 0.005 1 210 21 20 GLY HA2 H 3.560 0.003 2 211 21 20 GLY HA3 H 4.113 0.005 2 212 21 20 GLY C C 173.769 0.021 1 213 21 20 GLY CA C 43.860 0.019 1 214 21 20 GLY N N 113.182 0.032 1 215 22 21 ASN H H 7.291 0.005 1 216 22 21 ASN HA H 4.347 0.005 1 217 22 21 ASN HB2 H 1.695 0.005 2 218 22 21 ASN HB3 H 3.981 0.010 2 219 22 21 ASN HD21 H 8.448 0.003 1 220 22 21 ASN HD22 H 6.637 0.017 1 221 22 21 ASN C C 174.205 0.054 1 222 22 21 ASN CA C 53.433 0.019 1 223 22 21 ASN CB C 38.826 0.043 1 224 22 21 ASN N N 116.072 0.019 1 225 22 21 ASN ND2 N 111.001 0.029 1 226 23 22 LEU H H 7.279 0.002 1 227 23 22 LEU HA H 3.928 0.004 1 228 23 22 LEU HB2 H 0.704 0.004 2 229 23 22 LEU HB3 H 1.188 0.008 2 230 23 22 LEU HG H 0.955 0.007 1 231 23 22 LEU HD1 H 0.709 0.004 2 232 23 22 LEU HD2 H 0.367 0.002 2 233 23 22 LEU C C 176.551 0.009 1 234 23 22 LEU CA C 52.665 0.014 1 235 23 22 LEU CB C 44.349 0.013 1 236 23 22 LEU CG C 26.542 0.010 1 237 23 22 LEU CD1 C 22.598 0.023 2 238 23 22 LEU CD2 C 27.571 0.014 2 239 23 22 LEU N N 118.873 0.008 1 240 24 23 ASN H H 9.075 0.002 1 241 24 23 ASN HA H 4.759 0.004 1 242 24 23 ASN HB2 H 2.422 0.004 2 243 24 23 ASN HB3 H 3.152 0.005 2 244 24 23 ASN HD21 H 8.076 0.003 1 245 24 23 ASN HD22 H 7.153 0.003 1 246 24 23 ASN C C 175.831 0.029 1 247 24 23 ASN CA C 51.640 0.008 1 248 24 23 ASN CB C 35.555 0.007 1 249 24 23 ASN N N 124.260 0.013 1 250 24 23 ASN ND2 N 110.101 0.023 1 251 25 24 THR H H 8.226 0.001 1 252 25 24 THR HA H 4.377 0.008 1 253 25 24 THR HB H 4.654 0.005 1 254 25 24 THR HG2 H 1.123 0.006 1 255 25 24 THR C C 175.286 0.007 1 256 25 24 THR CA C 63.324 0.022 1 257 25 24 THR CB C 67.439 0.016 1 258 25 24 THR CG2 C 22.611 0.005 1 259 25 24 THR N N 118.101 0.014 1 260 26 25 LEU H H 7.670 0.001 1 261 26 25 LEU HA H 4.311 0.002 1 262 26 25 LEU HB2 H 1.934 0.004 2 263 26 25 LEU HB3 H 1.624 0.002 2 264 26 25 LEU HG H 1.662 0.002 1 265 26 25 LEU HD1 H 0.950 0.002 2 266 26 25 LEU HD2 H 0.891 0.002 2 267 26 25 LEU C C 178.244 0.020 1 268 26 25 LEU CA C 57.314 0.010 1 269 26 25 LEU CB C 41.328 0.022 1 270 26 25 LEU CG C 27.463 0.010 1 271 26 25 LEU CD1 C 24.656 0.008 2 272 26 25 LEU CD2 C 23.447 0.008 2 273 26 25 LEU N N 121.285 0.008 1 274 27 26 VAL H H 6.790 0.001 1 275 27 26 VAL HA H 4.047 0.003 1 276 27 26 VAL HB H 1.719 0.002 1 277 27 26 VAL HG1 H 0.866 0.003 2 278 27 26 VAL HG2 H 0.865 0.003 2 279 27 26 VAL C C 175.200 0.018 1 280 27 26 VAL CA C 63.031 0.010 1 281 27 26 VAL CB C 35.182 0.005 1 282 27 26 VAL CG1 C 21.252 0.028 2 283 27 26 VAL CG2 C 21.248 0.030 2 284 27 26 VAL N N 114.562 0.002 1 285 28 27 VAL H H 8.276 0.001 1 286 28 27 VAL HA H 3.859 0.001 1 287 28 27 VAL HB H 1.659 0.004 1 288 28 27 VAL HG1 H 0.844 0.005 2 289 28 27 VAL HG2 H 0.828 0.003 2 290 28 27 VAL C C 174.352 0.010 1 291 28 27 VAL CA C 63.192 0.011 1 292 28 27 VAL CB C 31.941 0.007 1 293 28 27 VAL CG1 C 22.939 0.025 2 294 28 27 VAL CG2 C 21.386 0.013 2 295 28 27 VAL N N 121.996 0.017 1 296 29 28 LYS H H 8.925 0.001 1 297 29 28 LYS HA H 4.602 0.004 1 298 29 28 LYS HB2 H 1.782 0.005 2 299 29 28 LYS HB3 H 2.071 0.003 2 300 29 28 LYS HG2 H 1.482 0.010 1 301 29 28 LYS HG3 H 1.482 0.010 1 302 29 28 LYS HD2 H 1.606 0.001 2 303 29 28 LYS HD3 H 1.655 0.002 2 304 29 28 LYS HE2 H 2.934 0.008 1 305 29 28 LYS HE3 H 2.934 0.008 1 306 29 28 LYS C C 177.959 0.008 1 307 29 28 LYS CA C 53.646 0.007 1 308 29 28 LYS CB C 34.395 0.013 1 309 29 28 LYS CG C 24.644 0.013 1 310 29 28 LYS CD C 28.305 0.005 1 311 29 28 LYS CE C 41.950 0.037 1 312 29 28 LYS N N 124.228 0.007 1 313 30 29 LYS H H 8.993 0.001 1 314 30 29 LYS HA H 3.654 0.004 1 315 30 29 LYS HB2 H 1.774 0.005 2 316 30 29 LYS HB3 H 1.849 0.002 2 317 30 29 LYS HG2 H 1.174 0.003 2 318 30 29 LYS HG3 H 1.249 0.001 2 319 30 29 LYS HD2 H 1.721 0.001 2 320 30 29 LYS HD3 H 1.622 0.002 2 321 30 29 LYS HE2 H 3.002 0.006 2 322 30 29 LYS HE3 H 3.093 0.005 2 323 30 29 LYS C C 177.639 0.000 1 324 30 29 LYS CA C 61.400 0.013 1 325 30 29 LYS CB C 32.649 0.025 1 326 30 29 LYS CG C 24.519 0.018 1 327 30 29 LYS CD C 30.006 0.017 1 328 30 29 LYS CE C 42.431 0.012 1 329 30 29 LYS N N 123.350 0.016 1 330 31 30 SER H H 8.669 0.002 1 331 31 30 SER HA H 4.167 0.004 1 332 31 30 SER HB2 H 3.830 0.008 2 333 31 30 SER HB3 H 3.890 0.005 2 334 31 30 SER C C 177.617 0.018 1 335 31 30 SER CA C 61.389 0.023 1 336 31 30 SER CB C 61.533 0.032 1 337 31 30 SER N N 111.465 0.008 1 338 32 31 ASP H H 7.141 0.001 1 339 32 31 ASP HA H 4.520 0.002 1 340 32 31 ASP HB2 H 2.681 0.003 2 341 32 31 ASP HB3 H 3.169 0.010 2 342 32 31 ASP C C 178.194 0.050 1 343 32 31 ASP CA C 57.188 0.008 1 344 32 31 ASP CB C 41.847 0.005 1 345 32 31 ASP N N 122.187 0.002 1 346 33 32 VAL H H 7.956 0.001 1 347 33 32 VAL HA H 3.461 0.003 1 348 33 32 VAL HB H 2.150 0.003 1 349 33 32 VAL HG1 H 0.526 0.003 2 350 33 32 VAL HG2 H 0.683 0.007 2 351 33 32 VAL C C 178.624 0.000 1 352 33 32 VAL CA C 67.374 0.013 1 353 33 32 VAL CB C 31.285 0.001 1 354 33 32 VAL CG1 C 23.307 0.016 2 355 33 32 VAL CG2 C 24.006 0.000 2 356 33 32 VAL N N 120.138 0.014 1 357 34 33 GLU H H 8.637 0.001 1 358 34 33 GLU HA H 3.754 0.004 1 359 34 33 GLU HB2 H 2.025 0.005 1 360 34 33 GLU HB3 H 2.025 0.005 1 361 34 33 GLU HG2 H 2.573 0.008 2 362 34 33 GLU HG3 H 1.881 0.004 2 363 34 33 GLU C C 178.701 0.021 1 364 34 33 GLU CA C 60.505 0.027 1 365 34 33 GLU CB C 29.344 0.016 1 366 34 33 GLU CG C 38.370 0.030 1 367 34 33 GLU N N 118.717 0.029 1 368 35 34 ALA H H 7.823 0.001 1 369 35 34 ALA HA H 4.149 0.004 1 370 35 34 ALA HB H 1.593 0.002 1 371 35 34 ALA C C 180.483 0.028 1 372 35 34 ALA CA C 55.516 0.022 1 373 35 34 ALA CB C 18.048 0.001 1 374 35 34 ALA N N 121.541 0.012 1 375 36 35 ILE H H 7.773 0.002 1 376 36 35 ILE HA H 3.663 0.002 1 377 36 35 ILE HB H 1.713 0.005 1 378 36 35 ILE HG12 H 1.867 0.003 2 379 36 35 ILE HG13 H 0.951 0.002 2 380 36 35 ILE HG2 H 0.158 0.002 1 381 36 35 ILE HD1 H 0.756 0.004 1 382 36 35 ILE C C 178.665 0.026 1 383 36 35 ILE CA C 64.811 0.002 1 384 36 35 ILE CB C 39.790 0.003 1 385 36 35 ILE CG1 C 28.592 0.025 1 386 36 35 ILE CG2 C 16.836 0.013 1 387 36 35 ILE CD1 C 13.355 0.006 1 388 36 35 ILE N N 117.449 0.005 1 389 37 36 PHE H H 8.566 0.003 1 390 37 36 PHE HA H 4.358 0.003 1 391 37 36 PHE HB2 H 2.887 0.006 2 392 37 36 PHE HB3 H 3.775 0.004 2 393 37 36 PHE HD1 H 7.980 0.005 1 394 37 36 PHE HD2 H 7.980 0.005 1 395 37 36 PHE HE1 H 6.917 0.004 1 396 37 36 PHE HE2 H 6.917 0.004 1 397 37 36 PHE HZ H 7.043 0.006 1 398 37 36 PHE C C 179.593 0.013 1 399 37 36 PHE CA C 62.680 0.005 1 400 37 36 PHE CB C 37.210 0.020 1 401 37 36 PHE CD1 C 132.100 0.000 1 402 37 36 PHE CE1 C 130.215 0.000 1 403 37 36 PHE CZ C 128.886 0.000 1 404 37 36 PHE N N 113.524 0.015 1 405 38 37 SER H H 8.834 0.001 1 406 38 37 SER HA H 4.821 0.004 1 407 38 37 SER HB2 H 4.115 0.002 2 408 38 37 SER HB3 H 4.252 0.004 2 409 38 37 SER C C 175.439 0.128 1 410 38 37 SER CA C 61.519 0.011 1 411 38 37 SER CB C 62.765 0.014 1 412 38 37 SER N N 122.025 0.009 1 413 39 38 LYS H H 7.054 0.005 1 414 39 38 LYS HA H 3.961 0.001 1 415 39 38 LYS HB2 H 1.232 0.002 2 416 39 38 LYS HB3 H 1.435 0.002 2 417 39 38 LYS HG2 H 0.786 0.005 2 418 39 38 LYS HG3 H 0.937 0.003 2 419 39 38 LYS HD2 H 1.450 0.008 1 420 39 38 LYS HD3 H 1.450 0.008 1 421 39 38 LYS HE2 H 2.764 0.002 2 422 39 38 LYS HE3 H 2.822 0.004 2 423 39 38 LYS C C 177.064 0.024 1 424 39 38 LYS CA C 58.279 0.015 1 425 39 38 LYS CB C 31.586 0.015 1 426 39 38 LYS CG C 23.561 0.013 1 427 39 38 LYS CD C 28.898 0.001 1 428 39 38 LYS CE C 41.340 0.016 1 429 39 38 LYS N N 119.387 0.020 1 430 40 39 TYR H H 6.956 0.003 1 431 40 39 TYR HA H 4.277 0.004 1 432 40 39 TYR HB2 H 2.656 0.004 2 433 40 39 TYR HB3 H 3.395 0.007 2 434 40 39 TYR HD1 H 7.195 0.014 1 435 40 39 TYR HD2 H 7.195 0.014 1 436 40 39 TYR HE1 H 6.645 0.007 1 437 40 39 TYR HE2 H 6.645 0.007 1 438 40 39 TYR C C 174.842 0.023 1 439 40 39 TYR CA C 58.850 0.032 1 440 40 39 TYR CB C 38.427 0.011 1 441 40 39 TYR CD1 C 132.743 0.000 1 442 40 39 TYR CE1 C 119.713 0.000 1 443 40 39 TYR N N 114.433 0.010 1 444 41 40 GLY H H 7.428 0.001 1 445 41 40 GLY HA2 H 3.888 0.003 2 446 41 40 GLY HA3 H 4.393 0.006 2 447 41 40 GLY C C 170.573 0.015 1 448 41 40 GLY CA C 44.556 0.020 1 449 41 40 GLY N N 106.514 0.006 1 450 42 41 LYS H H 8.034 0.002 1 451 42 41 LYS HA H 4.197 0.003 1 452 42 41 LYS HB2 H 1.797 0.004 2 453 42 41 LYS HB3 H 1.854 0.004 2 454 42 41 LYS HG2 H 1.235 0.003 2 455 42 41 LYS HG3 H 1.425 0.004 2 456 42 41 LYS HD2 H 1.724 0.002 2 457 42 41 LYS HD3 H 1.669 0.001 2 458 42 41 LYS HE2 H 2.948 0.007 1 459 42 41 LYS HE3 H 2.948 0.007 1 460 42 41 LYS C C 176.536 0.018 1 461 42 41 LYS CA C 57.136 0.028 1 462 42 41 LYS CB C 32.967 0.029 1 463 42 41 LYS CG C 24.827 0.035 1 464 42 41 LYS CD C 29.210 0.012 1 465 42 41 LYS CE C 41.991 0.000 1 466 42 41 LYS N N 117.788 0.009 1 467 43 42 ILE H H 8.711 0.001 1 468 43 42 ILE HA H 4.024 0.009 1 469 43 42 ILE HB H 1.698 0.004 1 470 43 42 ILE HG12 H 0.427 0.003 2 471 43 42 ILE HG13 H 1.922 0.004 2 472 43 42 ILE HG2 H 0.603 0.003 1 473 43 42 ILE HD1 H 0.802 0.005 1 474 43 42 ILE C C 176.993 0.000 1 475 43 42 ILE CA C 61.380 0.002 1 476 43 42 ILE CB C 38.913 0.033 1 477 43 42 ILE CG1 C 27.422 0.014 1 478 43 42 ILE CG2 C 18.278 0.006 1 479 43 42 ILE CD1 C 14.798 0.009 1 480 43 42 ILE N N 127.104 0.006 1 481 44 43 VAL H H 8.711 0.003 1 482 44 43 VAL HA H 4.364 0.003 1 483 44 43 VAL HB H 2.101 0.004 1 484 44 43 VAL HG1 H 0.725 0.004 2 485 44 43 VAL HG2 H 0.869 0.002 2 486 44 43 VAL C C 176.853 0.021 1 487 44 43 VAL CA C 61.858 0.011 1 488 44 43 VAL CB C 32.552 0.003 1 489 44 43 VAL CG1 C 20.121 0.013 2 490 44 43 VAL CG2 C 21.814 0.019 2 491 44 43 VAL N N 121.993 0.013 1 492 45 44 GLY H H 7.530 0.002 1 493 45 44 GLY HA2 H 4.640 0.004 2 494 45 44 GLY HA3 H 3.730 0.006 2 495 45 44 GLY C C 171.266 0.040 1 496 45 44 GLY CA C 45.009 0.002 1 497 45 44 GLY N N 109.507 0.033 1 498 46 45 CYS H H 8.982 0.004 1 499 46 45 CYS HA H 5.031 0.004 1 500 46 45 CYS HB2 H 2.571 0.001 2 501 46 45 CYS HB3 H 2.924 0.005 2 502 46 45 CYS C C 172.073 0.061 1 503 46 45 CYS CA C 57.963 0.006 1 504 46 45 CYS CB C 28.342 0.007 1 505 46 45 CYS N N 124.546 0.019 1 506 47 46 SER H H 8.569 0.003 1 507 47 46 SER HA H 4.908 0.009 1 508 47 46 SER HB2 H 3.637 0.007 2 509 47 46 SER HB3 H 4.319 0.003 2 510 47 46 SER C C 171.849 0.025 1 511 47 46 SER CA C 56.585 0.010 1 512 47 46 SER CB C 65.733 0.017 1 513 47 46 SER N N 122.933 0.040 1 514 48 47 VAL H H 8.565 0.002 1 515 48 47 VAL HA H 4.138 0.005 1 516 48 47 VAL HB H 1.850 0.004 1 517 48 47 VAL HG1 H 0.973 0.008 2 518 48 47 VAL HG2 H 0.681 0.004 2 519 48 47 VAL HG2 H 0.681 0.004 1 520 48 47 VAL C C 173.991 0.042 1 521 48 47 VAL CA C 62.310 0.005 1 522 48 47 VAL CB C 33.924 0.013 1 523 48 47 VAL CG1 C 22.827 0.019 2 524 48 47 VAL CG2 C 21.656 0.009 2 525 48 47 VAL N N 121.588 0.020 1 526 49 48 HIS H H 8.441 0.002 1 527 49 48 HIS HA H 4.432 0.006 1 528 49 48 HIS HB2 H 0.374 0.005 1 529 49 48 HIS HB3 H 2.503 0.006 1 530 49 48 HIS HD2 H 6.305 0.007 1 531 49 48 HIS HE1 H 7.494 0.006 1 532 49 48 HIS C C 173.950 0.019 1 533 49 48 HIS CA C 54.651 0.010 1 534 49 48 HIS CB C 31.553 0.026 1 535 49 48 HIS CD2 C 116.974 0.000 1 536 49 48 HIS CE1 C 136.992 0.000 1 537 49 48 HIS N N 130.308 0.011 1 538 50 49 LYS H H 7.926 0.003 1 539 50 49 LYS HA H 4.460 0.004 1 540 50 49 LYS HB2 H 1.830 0.004 2 541 50 49 LYS HB3 H 1.934 0.004 2 542 50 49 LYS HG2 H 1.342 0.002 2 543 50 49 LYS HG3 H 1.460 0.003 2 544 50 49 LYS HD2 H 1.750 0.002 1 545 50 49 LYS HD3 H 1.750 0.002 1 546 50 49 LYS HE2 H 3.039 0.002 1 547 50 49 LYS HE3 H 3.039 0.002 1 548 50 49 LYS C C 175.528 0.017 1 549 50 49 LYS CA C 56.289 0.008 1 550 50 49 LYS CB C 30.478 0.014 1 551 50 49 LYS CG C 24.879 0.010 1 552 50 49 LYS CD C 29.318 0.017 1 553 50 49 LYS CE C 41.914 0.013 1 554 50 49 LYS N N 121.937 0.020 1 555 51 50 GLY H H 8.644 0.005 1 556 51 50 GLY HA2 H 4.398 0.004 2 557 51 50 GLY HA3 H 4.601 0.008 2 558 51 50 GLY C C 174.253 0.025 1 559 51 50 GLY CA C 45.520 0.026 1 560 51 50 GLY N N 114.868 0.033 1 561 52 51 PHE H H 7.005 0.004 1 562 52 51 PHE HA H 5.248 0.005 1 563 52 51 PHE HB2 H 3.204 0.006 2 564 52 51 PHE HB3 H 2.699 0.009 2 565 52 51 PHE HD1 H 6.755 0.004 1 566 52 51 PHE HD2 H 6.755 0.004 1 567 52 51 PHE HE1 H 6.282 0.003 1 568 52 51 PHE HE2 H 6.282 0.003 1 569 52 51 PHE HZ H 7.178 0.003 1 570 52 51 PHE C C 171.606 0.007 1 571 52 51 PHE CA C 55.230 0.014 1 572 52 51 PHE CB C 41.045 0.019 1 573 52 51 PHE N N 112.790 0.011 1 574 53 52 ALA H H 8.724 0.002 1 575 53 52 ALA HA H 4.835 0.006 1 576 53 52 ALA HB H 1.134 0.005 1 577 53 52 ALA C C 173.030 0.010 1 578 53 52 ALA CA C 50.346 0.013 1 579 53 52 ALA CB C 24.733 0.029 1 580 53 52 ALA N N 119.858 0.012 1 581 54 53 PHE H H 8.764 0.004 1 582 54 53 PHE HA H 5.580 0.002 1 583 54 53 PHE HB2 H 2.777 0.004 2 584 54 53 PHE HB3 H 2.846 0.003 2 585 54 53 PHE HD1 H 7.030 0.025 1 586 54 53 PHE HD2 H 7.030 0.025 1 587 54 53 PHE HE1 H 7.250 0.004 1 588 54 53 PHE HE2 H 7.250 0.004 1 589 54 53 PHE HZ H 7.015 0.003 1 590 54 53 PHE C C 175.765 0.009 1 591 54 53 PHE CA C 56.604 0.031 1 592 54 53 PHE CB C 44.294 0.010 1 593 54 53 PHE N N 112.158 0.016 1 594 55 54 VAL H H 8.310 0.004 1 595 55 54 VAL HA H 4.212 0.003 1 596 55 54 VAL HB H 1.394 0.003 1 597 55 54 VAL HG1 H 0.353 0.005 2 598 55 54 VAL HG2 H 0.267 0.004 2 599 55 54 VAL C C 172.807 0.029 1 600 55 54 VAL CA C 61.877 0.011 1 601 55 54 VAL CB C 34.953 0.002 1 602 55 54 VAL CG1 C 22.481 0.008 2 603 55 54 VAL CG2 C 22.459 0.007 2 604 55 54 VAL N N 118.628 0.037 1 605 56 55 GLN H H 9.253 0.003 1 606 56 55 GLN HA H 4.565 0.007 1 607 56 55 GLN HB2 H 1.634 0.002 2 608 56 55 GLN HB3 H 2.122 0.003 2 609 56 55 GLN HG2 H 2.341 0.005 2 610 56 55 GLN HG3 H 2.128 0.005 2 611 56 55 GLN HE21 H 7.642 0.002 1 612 56 55 GLN HE22 H 8.403 0.003 1 613 56 55 GLN C C 173.894 0.034 1 614 56 55 GLN CA C 54.213 0.020 1 615 56 55 GLN CB C 32.106 0.018 1 616 56 55 GLN CG C 34.303 0.009 1 617 56 55 GLN N N 128.402 0.025 1 618 56 55 GLN NE2 N 123.215 0.033 1 619 57 56 TYR H H 8.919 0.004 1 620 57 56 TYR HA H 5.281 0.005 1 621 57 56 TYR HB2 H 3.346 0.006 2 622 57 56 TYR HB3 H 3.749 0.005 2 623 57 56 TYR HD1 H 7.055 0.011 1 624 57 56 TYR HD2 H 7.055 0.011 1 625 57 56 TYR HE1 H 6.638 0.006 1 626 57 56 TYR HE2 H 6.638 0.006 1 627 57 56 TYR C C 175.610 0.072 1 628 57 56 TYR CA C 58.691 0.022 1 629 57 56 TYR CB C 40.069 0.007 1 630 57 56 TYR CD1 C 132.683 0.000 1 631 57 56 TYR CE1 C 117.545 0.000 1 632 57 56 TYR N N 127.617 0.035 1 633 58 57 VAL H H 9.458 0.003 1 634 58 57 VAL HA H 4.113 0.005 1 635 58 57 VAL HB H 2.218 0.002 1 636 58 57 VAL HG1 H 1.038 0.002 2 637 58 57 VAL HG2 H 1.095 0.002 2 638 58 57 VAL C C 175.860 0.003 1 639 58 57 VAL CA C 64.029 0.026 1 640 58 57 VAL CB C 33.049 0.005 1 641 58 57 VAL CG1 C 21.878 0.022 2 642 58 57 VAL CG2 C 22.387 0.016 2 643 58 57 VAL N N 116.705 0.027 1 644 59 58 ASN H H 7.230 0.001 1 645 59 58 ASN HA H 5.150 0.004 1 646 59 58 ASN HB2 H 2.934 0.002 2 647 59 58 ASN HB3 H 3.037 0.002 2 648 59 58 ASN HD21 H 7.776 0.002 1 649 59 58 ASN HD22 H 6.918 0.003 1 650 59 58 ASN C C 174.483 0.005 1 651 59 58 ASN CA C 51.952 0.011 1 652 59 58 ASN CB C 42.177 0.001 1 653 59 58 ASN N N 112.563 0.014 1 654 59 58 ASN ND2 N 114.798 0.010 1 655 60 59 GLU H H 8.807 0.002 1 656 60 59 GLU HA H 4.315 0.008 1 657 60 59 GLU HB2 H 1.890 0.003 2 658 60 59 GLU HB3 H 2.098 0.003 2 659 60 59 GLU HG2 H 2.150 0.002 2 660 60 59 GLU HG3 H 2.733 0.009 2 661 60 59 GLU C C 178.202 0.011 1 662 60 59 GLU CA C 58.781 0.002 1 663 60 59 GLU CB C 30.378 0.016 1 664 60 59 GLU CG C 35.603 0.017 1 665 60 59 GLU N N 124.320 0.015 1 666 61 60 ARG H H 8.620 0.001 1 667 61 60 ARG HA H 3.990 0.002 1 668 61 60 ARG HB2 H 1.761 0.003 2 669 61 60 ARG HB3 H 1.885 0.006 2 670 61 60 ARG HG2 H 1.614 0.003 2 671 61 60 ARG HG3 H 1.683 0.004 2 672 61 60 ARG HD2 H 3.204 0.004 1 673 61 60 ARG HD3 H 3.204 0.004 1 674 61 60 ARG HE H 7.233 0.000 1 675 61 60 ARG C C 179.341 0.017 1 676 61 60 ARG CA C 59.467 0.024 1 677 61 60 ARG CB C 29.401 0.021 1 678 61 60 ARG CG C 27.131 0.025 1 679 61 60 ARG CD C 43.252 0.001 1 680 61 60 ARG N N 118.347 0.013 1 681 62 61 ASN H H 7.781 0.002 1 682 62 61 ASN HA H 4.277 0.004 1 683 62 61 ASN HB2 H 2.446 0.004 2 684 62 61 ASN HB3 H 2.300 0.003 2 685 62 61 ASN HD21 H 8.002 0.001 1 686 62 61 ASN HD22 H 7.187 0.002 1 687 62 61 ASN C C 174.852 0.033 1 688 62 61 ASN CA C 56.465 0.009 1 689 62 61 ASN CB C 39.007 0.010 1 690 62 61 ASN N N 118.085 0.005 1 691 62 61 ASN ND2 N 110.148 0.007 1 692 63 62 ALA H H 6.775 0.001 1 693 63 62 ALA HA H 3.748 0.005 1 694 63 62 ALA HB H 1.446 0.007 1 695 63 62 ALA C C 178.862 0.036 1 696 63 62 ALA CA C 54.961 0.007 1 697 63 62 ALA CB C 18.541 0.000 1 698 63 62 ALA N N 119.580 0.008 1 699 64 63 ARG H H 8.737 0.001 1 700 64 63 ARG HA H 3.840 0.004 1 701 64 63 ARG HB2 H 1.840 0.005 2 702 64 63 ARG HB3 H 1.748 0.001 2 703 64 63 ARG HG2 H 1.975 0.004 2 704 64 63 ARG HG3 H 1.775 0.005 2 705 64 63 ARG HD2 H 3.112 0.004 2 706 64 63 ARG HD3 H 3.213 0.001 2 707 64 63 ARG HE H 8.397 0.003 1 708 64 63 ARG C C 179.776 0.011 1 709 64 63 ARG CA C 60.182 0.006 1 710 64 63 ARG CB C 29.247 0.010 1 711 64 63 ARG CG C 29.932 0.004 1 712 64 63 ARG CD C 42.823 0.020 1 713 64 63 ARG N N 114.991 0.010 1 714 64 63 ARG NE N 85.371 0.009 1 715 65 64 ALA H H 7.820 0.002 1 716 65 64 ALA HA H 4.127 0.002 1 717 65 64 ALA HB H 1.664 0.002 1 718 65 64 ALA C C 179.561 0.040 1 719 65 64 ALA CA C 54.948 0.014 1 720 65 64 ALA CB C 17.891 0.006 1 721 65 64 ALA N N 123.698 0.013 1 722 66 65 ALA H H 7.538 0.003 1 723 66 65 ALA HA H 2.067 0.004 1 724 66 65 ALA HB H 1.517 0.006 1 725 66 65 ALA C C 179.260 0.020 1 726 66 65 ALA CA C 54.309 0.037 1 727 66 65 ALA CB C 19.308 0.025 1 728 66 65 ALA N N 123.811 0.007 1 729 67 66 VAL H H 7.612 0.002 1 730 67 66 VAL HA H 3.355 0.007 1 731 67 66 VAL HB H 2.133 0.004 1 732 67 66 VAL HG1 H 1.015 0.007 2 733 67 66 VAL HG2 H 1.057 0.002 2 734 67 66 VAL C C 177.744 0.029 1 735 67 66 VAL CA C 66.530 0.005 1 736 67 66 VAL CB C 31.967 0.002 1 737 67 66 VAL CG1 C 22.074 0.011 2 738 67 66 VAL CG2 C 23.248 0.011 2 739 67 66 VAL N N 116.571 0.008 1 740 68 67 ALA H H 7.549 0.001 1 741 68 67 ALA HA H 4.121 0.002 1 742 68 67 ALA HB H 1.433 0.001 1 743 68 67 ALA C C 180.749 0.019 1 744 68 67 ALA CA C 54.352 0.007 1 745 68 67 ALA CB C 18.097 0.024 1 746 68 67 ALA N N 118.239 0.004 1 747 69 68 GLY H H 8.135 0.001 1 748 69 68 GLY HA2 H 3.995 0.005 1 749 69 68 GLY HA3 H 3.995 0.005 1 750 69 68 GLY C C 175.627 0.014 1 751 69 68 GLY CA C 46.086 0.003 1 752 69 68 GLY N N 103.748 0.007 1 753 70 69 GLU H H 7.653 0.001 1 754 70 69 GLU HA H 4.632 0.003 1 755 70 69 GLU HB2 H 2.216 0.003 2 756 70 69 GLU HB3 H 1.582 0.006 2 757 70 69 GLU HG2 H 2.040 0.002 2 758 70 69 GLU HG3 H 1.549 0.003 2 759 70 69 GLU C C 176.392 0.017 1 760 70 69 GLU CA C 55.198 0.009 1 761 70 69 GLU CB C 31.372 0.012 1 762 70 69 GLU CG C 34.764 0.012 1 763 70 69 GLU N N 114.571 0.005 1 764 71 70 ASP H H 8.026 0.002 1 765 71 70 ASP HA H 4.285 0.003 1 766 71 70 ASP HB2 H 2.628 0.003 2 767 71 70 ASP HB3 H 3.069 0.004 2 768 71 70 ASP C C 178.699 0.016 1 769 71 70 ASP CA C 57.542 0.002 1 770 71 70 ASP CB C 41.370 0.019 1 771 71 70 ASP N N 118.127 0.012 1 772 72 71 GLY H H 8.292 0.001 1 773 72 71 GLY HA2 H 3.678 0.010 2 774 72 71 GLY HA3 H 4.176 0.008 2 775 72 71 GLY C C 173.792 0.007 1 776 72 71 GLY CA C 45.759 0.007 1 777 72 71 GLY N N 114.353 0.016 1 778 73 72 ARG H H 7.981 0.001 1 779 73 72 ARG HA H 4.186 0.005 1 780 73 72 ARG HB2 H 2.043 0.003 2 781 73 72 ARG HB3 H 1.841 0.003 2 782 73 72 ARG HG2 H 1.684 0.001 2 783 73 72 ARG HG3 H 1.484 0.004 2 784 73 72 ARG HD2 H 3.141 0.004 2 785 73 72 ARG HD3 H 3.333 0.005 2 786 73 72 ARG HE H 7.321 0.002 1 787 73 72 ARG C C 175.188 0.021 1 788 73 72 ARG CA C 56.476 0.017 1 789 73 72 ARG CB C 31.319 0.016 1 790 73 72 ARG CG C 27.546 0.012 1 791 73 72 ARG CD C 43.878 0.020 1 792 73 72 ARG N N 121.996 0.006 1 793 73 72 ARG NE N 85.114 0.020 1 794 74 73 MET H H 8.710 0.001 1 795 74 73 MET HA H 4.795 0.007 1 796 74 73 MET HB2 H 1.907 0.002 2 797 74 73 MET HB3 H 2.053 0.000 2 798 74 73 MET HG2 H 2.306 0.004 2 799 74 73 MET HG3 H 2.093 0.007 2 800 74 73 MET HE H 1.969 0.002 1 801 74 73 MET C C 175.727 0.016 1 802 74 73 MET CA C 55.054 0.020 1 803 74 73 MET CB C 33.076 0.006 1 804 74 73 MET CG C 32.113 0.025 1 805 74 73 MET CE C 17.216 0.007 1 806 74 73 MET N N 125.120 0.013 1 807 75 74 ILE H H 8.583 0.002 1 808 75 74 ILE HA H 4.387 0.002 1 809 75 74 ILE HB H 1.808 0.004 1 810 75 74 ILE HG12 H 1.141 0.005 2 811 75 74 ILE HG13 H 1.461 0.003 2 812 75 74 ILE HG2 H 0.858 0.000 1 813 75 74 ILE HD1 H 0.822 0.008 1 814 75 74 ILE C C 175.277 0.005 1 815 75 74 ILE CA C 59.731 0.027 1 816 75 74 ILE CB C 40.407 0.008 1 817 75 74 ILE CG1 C 27.361 0.004 1 818 75 74 ILE CG2 C 16.851 0.008 1 819 75 74 ILE CD1 C 12.323 0.001 1 820 75 74 ILE N N 127.530 0.007 1 821 76 75 ALA H H 9.540 0.001 1 822 76 75 ALA HA H 4.032 0.003 1 823 76 75 ALA HB H 1.400 0.005 1 824 76 75 ALA C C 177.206 0.011 1 825 76 75 ALA CA C 52.872 0.026 1 826 76 75 ALA CB C 17.248 0.003 1 827 76 75 ALA N N 132.166 0.010 1 828 77 76 GLY H H 8.446 0.001 1 829 77 76 GLY HA2 H 4.174 0.005 2 830 77 76 GLY HA3 H 3.704 0.006 2 831 77 76 GLY C C 174.206 0.011 1 832 77 76 GLY CA C 45.767 0.023 1 833 77 76 GLY N N 101.685 0.004 1 834 78 77 GLN H H 7.708 0.002 1 835 78 77 GLN HA H 4.731 0.003 1 836 78 77 GLN HB2 H 2.000 0.008 2 837 78 77 GLN HB3 H 2.206 0.005 2 838 78 77 GLN HG2 H 2.221 0.007 2 839 78 77 GLN HG3 H 2.421 0.003 2 840 78 77 GLN HE21 H 7.025 0.001 1 841 78 77 GLN HE22 H 6.482 0.011 1 842 78 77 GLN C C 174.047 0.008 1 843 78 77 GLN CA C 54.261 0.027 1 844 78 77 GLN CB C 32.104 0.012 1 845 78 77 GLN CG C 34.970 0.031 1 846 78 77 GLN N N 118.947 0.027 1 847 78 77 GLN NE2 N 109.941 0.026 1 848 79 78 VAL H H 8.570 0.003 1 849 79 78 VAL HA H 4.014 0.007 1 850 79 78 VAL HB H 1.871 0.005 1 851 79 78 VAL HG1 H 0.947 0.003 2 852 79 78 VAL HG2 H 0.847 0.002 2 853 79 78 VAL C C 176.348 0.005 1 854 79 78 VAL CA C 62.668 0.013 1 855 79 78 VAL CB C 32.129 0.006 1 856 79 78 VAL CG1 C 22.284 0.020 2 857 79 78 VAL CG2 C 21.381 0.007 2 858 79 78 VAL N N 123.383 0.015 1 859 80 79 LEU H H 9.002 0.003 1 860 80 79 LEU HA H 4.308 0.005 1 861 80 79 LEU HB2 H 2.165 0.007 2 862 80 79 LEU HB3 H 1.254 0.005 2 863 80 79 LEU HG H 2.141 0.007 1 864 80 79 LEU HD1 H 0.989 0.003 2 865 80 79 LEU HD2 H 0.717 0.003 2 866 80 79 LEU C C 176.522 0.016 1 867 80 79 LEU CA C 55.901 0.018 1 868 80 79 LEU CB C 42.899 0.008 1 869 80 79 LEU CG C 26.625 0.021 1 870 80 79 LEU CD1 C 25.759 0.008 2 871 80 79 LEU CD2 C 23.513 0.020 2 872 80 79 LEU N N 128.544 0.005 1 873 81 80 ASP H H 7.718 0.002 1 874 81 80 ASP HA H 5.221 0.006 1 875 81 80 ASP HB2 H 2.537 0.006 2 876 81 80 ASP HB3 H 2.869 0.008 2 877 81 80 ASP C C 174.660 0.012 1 878 81 80 ASP CA C 52.987 0.027 1 879 81 80 ASP CB C 42.767 0.018 1 880 81 80 ASP N N 124.135 0.019 1 881 82 81 ILE H H 9.071 0.002 1 882 82 81 ILE HA H 5.397 0.005 1 883 82 81 ILE HB H 1.674 0.003 1 884 82 81 ILE HG12 H 1.666 0.001 2 885 82 81 ILE HG13 H 1.077 0.001 2 886 82 81 ILE HG2 H 0.941 0.004 1 887 82 81 ILE HD1 H 1.013 0.006 1 888 82 81 ILE C C 174.521 0.036 1 889 82 81 ILE CA C 59.134 0.017 1 890 82 81 ILE CB C 40.967 0.035 1 891 82 81 ILE CG1 C 27.764 0.058 1 892 82 81 ILE CG2 C 19.319 0.016 1 893 82 81 ILE CD1 C 15.733 0.013 1 894 82 81 ILE N N 123.344 0.014 1 895 83 82 ASN H H 8.494 0.014 1 896 83 82 ASN HA H 4.842 0.004 1 897 83 82 ASN HB2 H 3.172 0.006 2 898 83 82 ASN HB3 H 2.928 0.006 2 899 83 82 ASN HD21 H 7.123 0.001 1 900 83 82 ASN HD22 H 6.971 0.005 1 901 83 82 ASN C C 174.566 0.027 1 902 83 82 ASN CA C 53.128 0.016 1 903 83 82 ASN CB C 43.074 0.039 1 904 83 82 ASN N N 116.447 0.035 1 905 83 82 ASN ND2 N 114.623 0.037 1 906 84 83 LEU H H 9.414 0.003 1 907 84 83 LEU HA H 4.720 0.005 1 908 84 83 LEU HB2 H 1.527 0.002 2 909 84 83 LEU HB3 H 2.115 0.007 2 910 84 83 LEU HG H 1.854 0.005 1 911 84 83 LEU HD1 H 0.857 0.000 2 912 84 83 LEU HD2 H 0.895 0.001 2 913 84 83 LEU C C 180.969 0.046 1 914 84 83 LEU CA C 56.357 0.025 1 915 84 83 LEU CB C 41.319 0.012 1 916 84 83 LEU CG C 28.773 0.011 1 917 84 83 LEU CD1 C 24.668 0.009 2 918 84 83 LEU CD2 C 25.142 0.005 2 919 84 83 LEU N N 123.786 0.019 1 920 85 84 ALA H H 9.279 0.003 1 921 85 84 ALA HA H 4.048 0.004 1 922 85 84 ALA HB H 1.643 0.007 1 923 85 84 ALA C C 177.932 0.017 1 924 85 84 ALA CA C 56.349 0.017 1 925 85 84 ALA CB C 17.987 0.014 1 926 85 84 ALA N N 127.577 0.025 1 927 86 85 ALA H H 8.687 0.006 1 928 86 85 ALA HA H 4.411 0.004 1 929 86 85 ALA HB H 1.441 0.005 1 930 86 85 ALA C C 176.153 0.037 1 931 86 85 ALA CA C 51.729 0.016 1 932 86 85 ALA CB C 19.310 0.004 1 933 86 85 ALA N N 116.071 0.020 1 934 87 86 GLU H H 7.901 0.001 1 935 87 86 GLU HA H 4.736 0.007 1 936 87 86 GLU HB2 H 2.029 0.003 2 937 87 86 GLU HB3 H 1.985 0.001 2 938 87 86 GLU HG2 H 2.046 0.001 2 939 87 86 GLU HG3 H 2.224 0.002 2 940 87 86 GLU C C 171.677 0.012 1 941 87 86 GLU CA C 53.172 0.024 1 942 87 86 GLU CB C 29.973 0.016 1 943 87 86 GLU CG C 35.345 0.025 1 944 87 86 GLU N N 118.959 0.008 1 945 88 87 PRO HA H 4.343 0.015 1 946 88 87 PRO HB2 H 1.639 0.004 2 947 88 87 PRO HB3 H 1.947 0.006 2 948 88 87 PRO HG2 H 1.783 0.011 2 949 88 87 PRO HG3 H 1.725 0.001 2 950 88 87 PRO HD2 H 3.465 0.004 2 951 88 87 PRO HD3 H 3.212 0.005 2 952 88 87 PRO C C 177.303 0.009 1 953 88 87 PRO CA C 62.918 0.024 1 954 88 87 PRO CB C 31.898 0.018 1 955 88 87 PRO CG C 27.388 0.014 1 956 88 87 PRO CD C 50.220 0.009 1 957 89 88 LYS H H 7.973 0.003 1 958 89 88 LYS HA H 4.227 0.005 1 959 89 88 LYS HB2 H 1.629 0.003 2 960 89 88 LYS HB3 H 1.829 0.008 2 961 89 88 LYS HG2 H 1.622 0.004 2 962 89 88 LYS HG3 H 1.423 0.007 2 963 89 88 LYS HD2 H 1.717 0.005 2 964 89 88 LYS HD3 H 1.809 0.003 2 965 89 88 LYS HE2 H 3.105 0.001 2 966 89 88 LYS HE3 H 3.076 0.002 2 967 89 88 LYS C C 177.690 0.010 1 968 89 88 LYS CA C 56.802 0.027 1 969 89 88 LYS CB C 33.504 0.017 1 970 89 88 LYS CG C 25.840 0.034 1 971 89 88 LYS CD C 30.068 0.015 1 972 89 88 LYS CE C 42.282 0.013 1 973 89 88 LYS N N 121.298 0.039 1 974 90 89 VAL H H 8.216 0.001 1 975 90 89 VAL HA H 3.929 0.006 1 976 90 89 VAL HB H 2.042 0.003 1 977 90 89 VAL HG1 H 0.911 0.003 2 978 90 89 VAL HG2 H 0.922 0.004 2 979 90 89 VAL C C 176.170 0.023 1 980 90 89 VAL CA C 63.217 0.041 1 981 90 89 VAL CB C 32.346 0.012 1 982 90 89 VAL CG1 C 20.933 0.021 2 983 90 89 VAL CG2 C 20.584 0.010 2 984 90 89 VAL N N 120.788 0.017 1 985 91 90 ASN H H 8.451 0.001 1 986 91 90 ASN HA H 4.659 0.003 1 987 91 90 ASN HB2 H 2.826 0.004 2 988 91 90 ASN HB3 H 2.777 0.007 2 989 91 90 ASN HD21 H 7.635 0.002 1 990 91 90 ASN HD22 H 6.937 0.003 1 991 91 90 ASN C C 175.173 0.007 1 992 91 90 ASN CA C 53.037 0.005 1 993 91 90 ASN CB C 38.167 0.021 1 994 91 90 ASN N N 119.438 0.009 1 995 91 90 ASN ND2 N 113.000 0.024 1 996 92 91 ARG H H 7.978 0.002 1 997 92 91 ARG HA H 4.237 0.006 1 998 92 91 ARG HB2 H 1.806 0.003 2 999 92 91 ARG HB3 H 1.751 0.004 2 1000 92 91 ARG HG2 H 1.558 0.007 1 1001 92 91 ARG HG3 H 1.558 0.007 1 1002 92 91 ARG HD2 H 3.149 0.005 2 1003 92 91 ARG HD3 H 3.204 0.014 2 1004 92 91 ARG HE H 7.280 0.002 1 1005 92 91 ARG C C 177.002 0.028 1 1006 92 91 ARG CA C 56.644 0.005 1 1007 92 91 ARG CB C 30.526 0.016 1 1008 92 91 ARG CG C 27.252 0.027 1 1009 92 91 ARG CD C 43.345 0.015 1 1010 92 91 ARG N N 120.958 0.032 1 1011 92 91 ARG NE N 85.191 0.024 1 1012 93 92 GLY H H 8.604 0.002 1 1013 93 92 GLY HA2 H 3.897 0.009 1 1014 93 92 GLY HA3 H 3.897 0.009 1 1015 93 92 GLY C C 174.246 0.013 1 1016 93 92 GLY CA C 45.384 0.020 1 1017 93 92 GLY N N 110.275 0.017 1 1018 94 93 LYS H H 8.113 0.001 1 1019 94 93 LYS HA H 4.297 0.002 1 1020 94 93 LYS HB2 H 1.831 0.007 2 1021 94 93 LYS HB3 H 1.713 0.006 2 1022 94 93 LYS HG2 H 1.416 0.001 2 1023 94 93 LYS HG3 H 1.378 0.006 2 1024 94 93 LYS HD2 H 1.664 0.003 1 1025 94 93 LYS HD3 H 1.664 0.003 1 1026 94 93 LYS HE2 H 2.971 0.006 1 1027 94 93 LYS HE3 H 2.971 0.006 1 1028 94 93 LYS C C 176.525 0.013 1 1029 94 93 LYS CA C 56.044 0.024 1 1030 94 93 LYS CB C 33.025 0.013 1 1031 94 93 LYS CG C 24.789 0.019 1 1032 94 93 LYS CD C 29.042 0.014 1 1033 94 93 LYS CE C 41.971 0.019 1 1034 94 93 LYS N N 120.750 0.011 1 1035 95 94 ALA H H 8.367 0.005 1 1036 95 94 ALA HA H 4.299 0.003 1 1037 95 94 ALA HB H 1.393 0.002 1 1038 95 94 ALA C C 178.325 0.007 1 1039 95 94 ALA CA C 52.752 0.014 1 1040 95 94 ALA CB C 19.140 0.032 1 1041 95 94 ALA N N 124.912 0.029 1 1042 96 95 GLY H H 8.390 0.001 1 1043 96 95 GLY HA2 H 3.936 0.007 1 1044 96 95 GLY HA3 H 3.936 0.007 1 1045 96 95 GLY C C 174.096 0.011 1 1046 96 95 GLY CA C 45.241 0.023 1 1047 96 95 GLY N N 108.328 0.028 1 1048 97 96 VAL H H 7.925 0.003 1 1049 97 96 VAL HA H 4.077 0.003 1 1050 97 96 VAL HB H 2.047 0.003 1 1051 97 96 VAL HG1 H 0.914 0.003 2 1052 97 96 VAL HG2 H 0.920 0.004 2 1053 97 96 VAL C C 176.156 0.013 1 1054 97 96 VAL CA C 62.299 0.019 1 1055 97 96 VAL CB C 32.854 0.031 1 1056 97 96 VAL CG1 C 21.007 0.026 2 1057 97 96 VAL CG2 C 20.720 0.031 2 1058 97 96 VAL N N 119.774 0.024 1 1059 98 97 LYS H H 8.473 0.001 1 1060 98 97 LYS HA H 4.326 0.005 1 1061 98 97 LYS HB2 H 1.798 0.005 2 1062 98 97 LYS HB3 H 1.733 0.006 2 1063 98 97 LYS HG2 H 1.393 0.001 2 1064 98 97 LYS HG3 H 1.446 0.001 2 1065 98 97 LYS HD2 H 1.663 0.000 1 1066 98 97 LYS HD3 H 1.663 0.000 1 1067 98 97 LYS HE2 H 3.026 0.009 1 1068 98 97 LYS HE3 H 3.026 0.009 1 1069 98 97 LYS C C 176.427 0.000 1 1070 98 97 LYS CA C 56.101 0.016 1 1071 98 97 LYS CB C 33.061 0.007 1 1072 98 97 LYS CG C 24.866 0.000 1 1073 98 97 LYS N N 126.024 0.009 1 1074 99 98 ARG H H 8.464 0.001 1 1075 99 98 ARG HA H 4.379 0.002 1 1076 99 98 ARG HB2 H 1.742 0.004 2 1077 99 98 ARG HB3 H 1.830 0.004 2 1078 99 98 ARG HG2 H 1.657 0.002 2 1079 99 98 ARG HG3 H 1.614 0.006 2 1080 99 98 ARG HD2 H 3.164 0.004 2 1081 99 98 ARG HD3 H 3.164 0.004 2 1082 99 98 ARG HE H 7.239 0.006 1 1083 99 98 ARG C C 176.231 0.006 1 1084 99 98 ARG CA C 55.932 0.019 1 1085 99 98 ARG CB C 31.267 0.020 1 1086 99 98 ARG CG C 27.227 0.016 1 1087 99 98 ARG CD C 43.323 0.025 1 1088 99 98 ARG N N 123.644 0.014 1 1089 99 98 ARG NE N 84.676 0.015 1 1090 100 99 SER H H 8.516 0.001 1 1091 100 99 SER HA H 4.449 0.002 1 1092 100 99 SER HB2 H 3.968 0.005 2 1093 100 99 SER HB3 H 3.872 0.003 2 1094 100 99 SER C C 174.556 0.004 1 1095 100 99 SER CA C 57.985 0.015 1 1096 100 99 SER CB C 64.167 0.015 1 1097 100 99 SER N N 117.863 0.012 1 1098 101 100 ALA H H 8.538 0.001 1 1099 101 100 ALA HA H 4.257 0.001 1 1100 101 100 ALA HB H 1.434 0.004 1 1101 101 100 ALA C C 178.047 0.000 1 1102 101 100 ALA CA C 53.348 0.020 1 1103 101 100 ALA CB C 18.945 0.003 1 1104 101 100 ALA N N 126.048 0.008 1 1105 102 101 ALA H H 8.212 0.004 1 1106 102 101 ALA HA H 4.225 0.002 1 1107 102 101 ALA HB H 1.383 0.003 1 1108 102 101 ALA C C 178.254 0.009 1 1109 102 101 ALA CA C 53.045 0.000 1 1110 102 101 ALA CB C 19.043 0.021 1 1111 102 101 ALA N N 121.566 0.016 1 1112 103 102 GLU H H 8.071 0.004 1 1113 103 102 GLU HA H 4.201 0.002 1 1114 103 102 GLU HB2 H 2.010 0.003 2 1115 103 102 GLU HB3 H 1.955 0.005 2 1116 103 102 GLU HG2 H 2.236 0.005 1 1117 103 102 GLU HG3 H 2.236 0.005 1 1118 103 102 GLU C C 176.516 0.020 1 1119 103 102 GLU CA C 56.656 0.017 1 1120 103 102 GLU CB C 30.227 0.022 1 1121 103 102 GLU CG C 36.576 0.020 1 1122 103 102 GLU N N 118.735 0.011 1 1123 104 103 MET H H 8.073 0.001 1 1124 104 103 MET HA H 4.326 0.002 1 1125 104 103 MET HB2 H 1.855 0.005 1 1126 104 103 MET HB3 H 1.855 0.005 1 1127 104 103 MET HG2 H 2.415 0.004 2 1128 104 103 MET HG3 H 2.341 0.006 2 1129 104 103 MET HE H 2.020 0.004 1 1130 104 103 MET C C 175.862 0.016 1 1131 104 103 MET CA C 55.939 0.025 1 1132 104 103 MET CB C 32.999 0.020 1 1133 104 103 MET CG C 31.911 0.034 1 1134 104 103 MET CE C 16.834 0.003 1 1135 104 103 MET N N 120.106 0.009 1 1136 105 104 TYR H H 8.126 0.002 1 1137 105 104 TYR HA H 4.653 0.004 1 1138 105 104 TYR HB2 H 2.899 0.008 2 1139 105 104 TYR HB3 H 3.176 0.007 2 1140 105 104 TYR HD1 H 7.139 0.006 1 1141 105 104 TYR HD2 H 7.139 0.006 1 1142 105 104 TYR HE1 H 6.818 0.006 1 1143 105 104 TYR HE2 H 6.818 0.006 1 1144 105 104 TYR C C 175.319 0.003 1 1145 105 104 TYR CA C 57.595 0.012 1 1146 105 104 TYR CB C 38.939 0.027 1 1147 105 104 TYR CD1 C 133.232 0.000 1 1148 105 104 TYR CE1 C 118.060 0.000 1 1149 105 104 TYR N N 120.285 0.009 1 1150 106 105 GLY H H 7.886 0.002 1 1151 106 105 GLY HA2 H 3.747 0.005 1 1152 106 105 GLY HA3 H 3.747 0.005 1 1153 106 105 GLY C C 178.900 0.013 1 1154 106 105 GLY CA C 46.124 0.028 1 1155 106 105 GLY N N 116.277 0.005 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACO' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "RNA (5'-R(*UP*UP*UP*UP*C)-3')" _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 U H1' H 6.407 0.004 1 2 1 1 U H2' H 4.577 0.002 1 3 1 1 U H3' H 4.846 0.003 1 4 1 1 U H4' H 4.209 0.003 1 5 1 1 U H5 H 5.898 0.003 1 6 1 1 U H5' H 4.122 0.001 1 7 1 1 U H5'' H 4.122 0.001 1 8 1 1 U H6 H 8.080 0.001 1 9 2 2 U H1' H 6.080 0.002 1 10 2 2 U H2' H 4.158 0.003 1 11 2 2 U H3 H 10.914 0.002 1 12 2 2 U H3' H 4.608 0.004 1 13 2 2 U H4' H 3.817 0.004 1 14 2 2 U H5 H 4.767 0.002 1 15 2 2 U H5' H 3.408 0.004 2 16 2 2 U H5'' H 2.106 0.002 2 17 2 2 U H6 H 7.069 0.004 1 18 3 3 U H1' H 5.848 0.001 1 19 3 3 U H2' H 4.389 0.003 1 20 3 3 U H3' H 4.896 0.004 1 21 3 3 U H4' H 4.475 0.004 1 22 3 3 U H5 H 6.180 0.002 1 23 3 3 U H5' H 4.289 0.003 2 24 3 3 U H5'' H 3.925 0.002 2 25 3 3 U H6 H 7.735 0.003 1 26 4 4 U H1' H 6.081 0.003 1 27 4 4 U H2' H 4.494 0.003 1 28 4 4 U H3' H 4.762 0.003 1 29 4 4 U H4' H 4.589 0.002 1 30 4 4 U H5 H 6.194 0.004 1 31 4 4 U H5' H 4.524 0.010 2 32 4 4 U H5'' H 4.283 0.004 2 33 4 4 U H6 H 8.150 0.002 1 34 5 5 C H1' H 5.986 0.002 1 35 5 5 C H2' H 4.308 0.002 1 36 5 5 C H3' H 4.344 0.004 1 37 5 5 C H4' H 4.269 0.002 1 38 5 5 C H5 H 6.135 0.003 1 39 5 5 C H5' H 4.265 0.000 2 40 5 5 C H5'' H 4.163 0.002 2 41 5 5 C H6 H 7.940 0.003 1 stop_ save_