data_17693 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RRM domain of mRNA export adaptor REF2-I bound to HVS ORF57 peptide ; _BMRB_accession_number 17693 _BMRB_flat_file_name bmr17693.str _Entry_type original _Submission_date 2011-06-07 _Accession_date 2011-06-07 _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 Tunnicliffe Richard Bryan. . 2 Hautbergue G. M. . 3 Kalra P. . . 4 Wilson S. A. . 5 Golovanov A. P. . 6 Golova A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 788 "13C chemical shifts" 535 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-11 original author . stop_ _Original_release_date 2012-06-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Basis for the Recognition of Cellular mRNA Export Factor REF by Herpes Viral Proteins HSV-1 ICP27 and HVS ORF57' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21253573 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tunnicliffe Richard Bryan. . 2 Hautbergue G. M. . 3 Kalra P. . . 4 Jackson B. R. . 5 Whitehouse A. . . 6 Wilson S. A. . 7 Golovanov A. P. . stop_ _Journal_abbreviation 'PLoS Pathog.' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1001244 _Page_last e1001244 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RRM domain of mRNA export adaptor REF2-I bound to HVS ORF57 peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RNA AND EXPORT FACTOR-BINDING PROTEIN 2' $RNA_AND_EXPORT_FACTOR-BINDING_PROTEIN_2 '52 KDA IMMEDIATE-EARLY PHOSPHOPROTEIN' $52_KDA_IMMEDIATE-EARLY_PHOSPHOPROTEIN stop_ _System_molecular_weight 16071.8152 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RNA_AND_EXPORT_FACTOR-BINDING_PROTEIN_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RNA_AND_EXPORT_FACTOR-BINDING_PROTEIN_2 _Molecular_mass 13567.0128 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MASMTGGQQMGRDPDKWQHD LFDSGCGGGEGVETGAKLLV SNLDFGVSDADIQELFAEFG TLKKAAVDYDRSGRSLGTAD VHFERRADALKAMKQYKGVP LDGRPMDIQLVASQIDLEHH HHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 MET 5 THR 6 GLY 7 GLY 8 GLN 9 GLN 10 MET 11 GLY 12 ARG 13 ASP 14 PRO 15 ASP 16 LYS 17 TRP 18 GLN 19 HIS 20 ASP 21 LEU 22 PHE 23 ASP 24 SER 25 GLY 26 CYS 27 GLY 28 GLY 29 GLY 30 GLU 31 GLY 32 VAL 33 GLU 34 THR 35 GLY 36 ALA 37 LYS 38 LEU 39 LEU 40 VAL 41 SER 42 ASN 43 LEU 44 ASP 45 PHE 46 GLY 47 VAL 48 SER 49 ASP 50 ALA 51 ASP 52 ILE 53 GLN 54 GLU 55 LEU 56 PHE 57 ALA 58 GLU 59 PHE 60 GLY 61 THR 62 LEU 63 LYS 64 LYS 65 ALA 66 ALA 67 VAL 68 ASP 69 TYR 70 ASP 71 ARG 72 SER 73 GLY 74 ARG 75 SER 76 LEU 77 GLY 78 THR 79 ALA 80 ASP 81 VAL 82 HIS 83 PHE 84 GLU 85 ARG 86 ARG 87 ALA 88 ASP 89 ALA 90 LEU 91 LYS 92 ALA 93 MET 94 LYS 95 GLN 96 TYR 97 LYS 98 GLY 99 VAL 100 PRO 101 LEU 102 ASP 103 GLY 104 ARG 105 PRO 106 MET 107 ASP 108 ILE 109 GLN 110 LEU 111 VAL 112 ALA 113 SER 114 GLN 115 ILE 116 ASP 117 LEU 118 GLU 119 HIS 120 HIS 121 HIS 122 HIS 123 HIS 124 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 16683 REF_54-155 100.00 124 100.00 100.00 2.67e-84 BMRB 16697 REF_54-155 100.00 124 100.00 100.00 2.67e-84 PDB 2KT5 "Rrm Domain Of Mrna Export Adaptor Ref2-I Bound To Hsv-1 Icp27 Peptide" 100.00 124 100.00 100.00 2.67e-84 PDB 2YKA "Rrm Domain Of Mrna Export Adaptor Ref2-i Bound To Hvs Orf57 Peptide" 99.19 124 100.00 100.00 1.82e-83 stop_ save_ save_52_KDA_IMMEDIATE-EARLY_PHOSPHOPROTEIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 52_KDA_IMMEDIATE-EARLY_PHOSPHOPROTEIN _Molecular_mass 2504.8024 _Mol_thiol_state 'all free' _Details 'REF/ALY INTERACTION FRAGMENT OF ORF57 PROTEI' _Residue_count 23 _Mol_residue_sequence ; GPLGSSCKTSWADRVREAAA QRR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 SER 7 CYS 8 LYS 9 THR 10 SER 11 TRP 12 ALA 13 ASP 14 ARG 15 VAL 16 ARG 17 GLU 18 ALA 19 ALA 20 ALA 21 GLN 22 ARG 23 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16698 ORF57_8-120 78.26 135 100.00 100.00 1.65e-02 BMRB 17663 HVS_ORF57 78.26 107 100.00 100.00 1.22e-02 BMRB 17664 HVS_ORF57 100.00 23 100.00 100.00 2.79e-06 BMRB 7435 ORF57_8-120 78.26 135 100.00 100.00 1.17e-02 PDB 2YKA "Rrm Domain Of Mrna Export Adaptor Ref2-i Bound To Hvs Orf57 Peptide" 95.65 23 100.00 100.00 1.74e-05 EMBL CAA45680 "unnamed protein product [Saimiriine herpesvirus 2]" 78.26 417 100.00 100.00 1.94e-02 EMBL CAC84353 "hypothetical protein [Saimiriine herpesvirus 2]" 78.26 427 100.00 100.00 2.12e-02 EMBL CAC84354 "hypothetical protein [Saimiriine herpesvirus 2]" 78.26 385 100.00 100.00 2.64e-02 GB AAA46125 "transactivator, partial [Saimiriine herpesvirus 2]" 78.26 412 100.00 100.00 2.16e-02 GB AAA66558 "immediate-early phosphoprotein [Saimiriine herpesvirus 1]" 78.26 384 100.00 100.00 2.54e-02 PIR WMBEHA "52K immediate-early protein - saimiriine herpesvirus 1 (strain 11)" 78.26 417 100.00 100.00 1.94e-02 REF NP_040259 "unnamed protein product [Saimiriine herpesvirus 2]" 78.26 417 100.00 100.00 1.94e-02 SP P13199 "RecName: Full=mRNA export factor ICP27 homolog; AltName: Full=52 kDa immediate-early phosphoprotein; AltName: Full=EB2 protein " 78.26 417 100.00 100.00 1.94e-02 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $52_KDA_IMMEDIATE-EARLY_PHOSPHOPROTEIN 'herpesvirus saimiri HVS' 10381 Viruses . Rhadinovirus 'Saimiriine herpesvirus 2' $RNA_AND_EXPORT_FACTOR-BINDING_PROTEIN_2 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $RNA_AND_EXPORT_FACTOR-BINDING_PROTEIN_2 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21 (DE3) RP' pET24b $52_KDA_IMMEDIATE-EARLY_PHOSPHOPROTEIN 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21(DE3) RP' pGEX-6P-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'REF 1 mM, ORF57 3 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_AND_EXPORT_FACTOR-BINDING_PROTEIN_2 1 mM '[U-99% 13C; U-99% 15N]' $52_KDA_IMMEDIATE-EARLY_PHOSPHOPROTEIN 3 mM '[U-99% 13C; U-99% 15N]' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'ORF57 1 mM, REF 3 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RNA_AND_EXPORT_FACTOR-BINDING_PROTEIN_2 3 mM '[U-99% 13C; U-99% 15N]' $52_KDA_IMMEDIATE-EARLY_PHOSPHOPROTEIN 1 mM '[U-99% 13C; U-99% 15N]' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task collection stop_ _Details . save_ save_Cyana _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'P. Guntert et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_DRX-600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_Varian_Inova-800 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_1 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_TOCSY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _Sample_label $sample_1 save_ save_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label $sample_1 save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-TOCSY _Sample_label $sample_1 save_ save_NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _Sample_label $sample_1 save_ save_Filtered_13C-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'Filtered 13C-NOESY' _Sample_label $sample_1 save_ save_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_2 save_ save_HNCA_14 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_2 save_ save_CBCA(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_2 save_ save_HNCACB_16 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_2 save_ save_HNCO_17 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_2 save_ save_TOCSY-HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _Sample_label $sample_2 save_ save_HBHA(CO)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label $sample_2 save_ save_NOESY-HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _Sample_label $sample_2 save_ save_NOESY-HSQC_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name 'NOESY-HSQC HSQC' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [6.2], temp [303], pressure [1], ionStrength [50.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50.000 . mM pH 6.200 . pH pressure 1.000 . atm temperature 303.000 . 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 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal indirect . . . 1 DSS N 15 'methyl protons' ppm 0.0 internal 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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/2yka/ebi/ref_3.bmrb.csh' loop_ _Experiment_label HSQC HNCA CBCA(CO)NH HNCACB HNCO HN(CA)CO TOCSY-HSQC HBHA(CO)NH HCCH-TOCSY CCH-TOCSY NOESY-HSQC 'Filtered 13C-NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA AND EXPORT FACTOR-BINDING PROTEIN 2' _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 3 3 SER C C 174.403 0.10 1 2 4 4 MET H H 8.680 0.02 1 3 4 4 MET HE H 2.124 0.02 1 4 4 4 MET C C 176.441 0.10 1 5 4 4 MET CE C 16.999 0.10 1 6 4 4 MET N N 122.790 0.10 1 7 5 5 THR H H 8.244 0.02 1 8 5 5 THR HA H 4.417 0.02 1 9 5 5 THR HB H 4.299 0.02 1 10 5 5 THR HG2 H 1.234 0.02 1 11 5 5 THR C C 175.096 0.10 1 12 5 5 THR CA C 61.825 0.10 1 13 5 5 THR CB C 69.816 0.10 1 14 5 5 THR CG2 C 21.630 0.10 1 15 5 5 THR N N 114.602 0.10 1 16 6 6 GLY H H 8.464 0.02 1 17 6 6 GLY HA2 H 4.033 0.02 1 18 6 6 GLY N N 111.228 0.10 1 19 7 7 GLY HA2 H 4.002 0.02 1 20 7 7 GLY C C 174.291 0.10 1 21 8 8 GLN H H 8.330 0.02 1 22 8 8 GLN HA H 4.354 0.02 1 23 8 8 GLN HB2 H 2.019 0.02 2 24 8 8 GLN HB3 H 2.125 0.02 2 25 8 8 GLN HG2 H 2.378 0.02 1 26 8 8 GLN HE21 H 6.879 0.02 1 27 8 8 GLN HE22 H 7.546 0.02 1 28 8 8 GLN C C 176.052 0.10 1 29 8 8 GLN CA C 56.109 0.10 1 30 8 8 GLN CB C 29.396 0.10 1 31 8 8 GLN CG C 33.622 0.10 1 32 8 8 GLN N N 119.737 0.10 1 33 8 8 GLN NE2 N 112.231 0.10 1 34 9 9 GLN H H 8.510 0.02 1 35 9 9 GLN HA H 4.342 0.02 1 36 9 9 GLN HG2 H 2.395 0.02 1 37 9 9 GLN HE21 H 6.877 0.02 1 38 9 9 GLN HE22 H 7.518 0.02 1 39 9 9 GLN C C 175.968 0.10 1 40 9 9 GLN N N 121.344 0.10 1 41 9 9 GLN NE2 N 112.319 0.10 1 42 10 10 MET H H 8.434 0.02 1 43 10 10 MET HA H 4.490 0.02 1 44 10 10 MET HB2 H 2.041 0.02 2 45 10 10 MET HB3 H 2.117 0.02 2 46 10 10 MET C C 176.653 0.10 1 47 10 10 MET CA C 55.724 0.10 1 48 10 10 MET N N 121.487 0.10 1 49 11 11 GLY H H 8.440 0.02 1 50 11 11 GLY HA2 H 3.984 0.02 2 51 11 11 GLY HA3 H 3.985 0.02 2 52 11 11 GLY C C 173.770 0.10 1 53 11 11 GLY N N 109.906 0.10 1 54 12 12 ARG H H 8.134 0.02 1 55 12 12 ARG HA H 4.388 0.02 1 56 12 12 ARG HB2 H 1.838 0.02 2 57 12 12 ARG HB3 H 1.746 0.02 2 58 12 12 ARG HG2 H 1.605 0.02 2 59 12 12 ARG HG3 H 1.599 0.02 2 60 12 12 ARG HD2 H 3.145 0.02 2 61 12 12 ARG HD3 H 3.125 0.02 2 62 12 12 ARG C C 175.670 0.10 1 63 12 12 ARG CA C 55.714 0.10 1 64 12 12 ARG CB C 31.244 0.10 1 65 12 12 ARG CG C 27.247 0.10 1 66 12 12 ARG N N 120.024 0.10 1 67 13 13 ASP H H 8.458 0.02 1 68 13 13 ASP HA H 4.888 0.02 1 69 13 13 ASP HB2 H 2.795 0.02 2 70 13 13 ASP HB3 H 2.594 0.02 2 71 13 13 ASP CA C 52.392 0.10 1 72 13 13 ASP CB C 41.155 0.10 1 73 13 13 ASP N N 123.010 0.10 1 74 14 14 PRO HA H 4.279 0.02 1 75 14 14 PRO HB2 H 2.254 0.02 2 76 14 14 PRO HB3 H 1.953 0.02 2 77 14 14 PRO HG2 H 2.002 0.02 2 78 14 14 PRO HG3 H 1.982 0.02 2 79 14 14 PRO HD2 H 3.827 0.02 2 80 14 14 PRO HD3 H 3.885 0.02 2 81 14 14 PRO C C 177.094 0.10 1 82 14 14 PRO CA C 63.810 0.10 1 83 14 14 PRO CB C 32.189 0.10 1 84 14 14 PRO CG C 27.333 0.10 1 85 14 14 PRO CD C 50.845 0.10 1 86 15 15 ASP H H 8.361 0.02 1 87 15 15 ASP HA H 4.596 0.02 1 88 15 15 ASP HB2 H 2.652 0.02 2 89 15 15 ASP HB3 H 2.649 0.02 2 90 15 15 ASP C C 176.744 0.10 1 91 15 15 ASP CA C 55.065 0.10 1 92 15 15 ASP CB C 41.130 0.10 1 93 15 15 ASP N N 118.764 0.10 1 94 16 16 LYS H H 7.906 0.02 1 95 16 16 LYS HA H 4.228 0.02 1 96 16 16 LYS HB2 H 1.746 0.02 2 97 16 16 LYS HB3 H 1.713 0.02 2 98 16 16 LYS HG2 H 1.277 0.02 2 99 16 16 LYS HG3 H 1.254 0.02 2 100 16 16 LYS HD2 H 1.618 0.02 2 101 16 16 LYS HD3 H 1.679 0.02 2 102 16 16 LYS HE2 H 2.964 0.02 2 103 16 16 LYS HE3 H 2.954 0.02 2 104 16 16 LYS C C 176.502 0.10 1 105 16 16 LYS CA C 56.645 0.10 1 106 16 16 LYS CB C 32.863 0.10 1 107 16 16 LYS CG C 24.558 0.10 1 108 16 16 LYS CD C 28.981 0.10 1 109 16 16 LYS CE C 42.277 0.10 1 110 16 16 LYS N N 120.220 0.10 1 111 17 17 TRP H H 7.949 0.02 1 112 17 17 TRP HA H 4.672 0.02 1 113 17 17 TRP HB2 H 3.280 0.02 2 114 17 17 TRP HB3 H 3.298 0.02 2 115 17 17 TRP HD1 H 7.283 0.02 1 116 17 17 TRP HE1 H 10.171 0.02 1 117 17 17 TRP HE3 H 7.614 0.02 1 118 17 17 TRP HZ2 H 7.488 0.02 1 119 17 17 TRP HZ3 H 7.137 0.02 1 120 17 17 TRP HH2 H 7.225 0.02 1 121 17 17 TRP C C 176.279 0.10 1 122 17 17 TRP CA C 57.323 0.10 1 123 17 17 TRP CB C 29.204 0.10 1 124 17 17 TRP CD1 C 126.938 0.10 1 125 17 17 TRP CE3 C 121.535 0.10 1 126 17 17 TRP CZ2 C 114.980 0.10 1 127 17 17 TRP CZ3 C 120.735 0.10 1 128 17 17 TRP CH2 C 124.659 0.10 1 129 17 17 TRP N N 120.338 0.10 1 130 17 17 TRP NE1 N 129.329 0.10 1 131 18 18 GLN H H 8.020 0.02 1 132 18 18 GLN HA H 4.165 0.02 1 133 18 18 GLN HB2 H 1.842 0.02 2 134 18 18 GLN HB3 H 1.968 0.02 2 135 18 18 GLN HG2 H 2.111 0.02 2 136 18 18 GLN HG3 H 2.108 0.02 2 137 18 18 GLN HE21 H 6.818 0.02 1 138 18 18 GLN HE22 H 7.437 0.02 1 139 18 18 GLN C C 175.783 0.10 1 140 18 18 GLN CA C 56.343 0.10 1 141 18 18 GLN CB C 28.931 0.10 1 142 18 18 GLN N N 120.811 0.10 1 143 18 18 GLN NE2 N 112.051 0.10 1 144 19 19 HIS H H 8.209 0.02 1 145 19 19 HIS HA H 4.559 0.02 1 146 19 19 HIS HB2 H 3.153 0.02 2 147 19 19 HIS HB3 H 3.204 0.02 2 148 19 19 HIS C C 174.485 0.10 1 149 19 19 HIS CA C 56.254 0.10 1 150 19 19 HIS N N 119.007 0.10 1 151 20 20 ASP H H 8.414 0.02 1 152 20 20 ASP HA H 4.574 0.02 1 153 20 20 ASP HB2 H 2.667 0.02 2 154 20 20 ASP HB3 H 2.661 0.02 2 155 20 20 ASP C C 176.167 0.10 1 156 20 20 ASP CA C 54.868 0.10 1 157 20 20 ASP CB C 41.224 0.10 1 158 20 20 ASP N N 120.625 0.10 1 159 21 21 LEU H H 8.069 0.02 1 160 21 21 LEU HA H 4.236 0.02 1 161 21 21 LEU HB2 H 1.500 0.02 2 162 21 21 LEU HB3 H 1.404 0.02 2 163 21 21 LEU HG H 1.507 0.02 1 164 21 21 LEU HD1 H 0.846 0.02 2 165 21 21 LEU HD2 H 0.824 0.02 2 166 21 21 LEU C C 177.236 0.10 1 167 21 21 LEU CA C 55.705 0.10 1 168 21 21 LEU CB C 42.266 0.10 1 169 21 21 LEU CG C 26.681 0.10 1 170 21 21 LEU CD1 C 24.832 0.10 1 171 21 21 LEU N N 121.498 0.10 1 172 22 22 PHE H H 8.123 0.02 1 173 22 22 PHE HA H 4.617 0.02 1 174 22 22 PHE HB2 H 3.194 0.02 2 175 22 22 PHE HB3 H 3.026 0.02 2 176 22 22 PHE HD1 H 7.263 0.02 3 177 22 22 PHE HD2 H 7.275 0.02 3 178 22 22 PHE HE1 H 7.346 0.02 3 179 22 22 PHE HE2 H 7.350 0.02 3 180 22 22 PHE C C 175.525 0.10 1 181 22 22 PHE CA C 57.817 0.10 1 182 22 22 PHE CB C 39.285 0.10 1 183 22 22 PHE CD1 C 132.060 0.10 3 184 22 22 PHE CE1 C 131.521 0.10 3 185 22 22 PHE N N 119.494 0.10 1 186 23 23 ASP H H 8.204 0.02 1 187 23 23 ASP HA H 4.662 0.02 1 188 23 23 ASP HB2 H 2.678 0.02 2 189 23 23 ASP HB3 H 2.743 0.02 2 190 23 23 ASP C C 176.276 0.10 1 191 23 23 ASP CA C 54.243 0.10 1 192 23 23 ASP CB C 41.562 0.10 1 193 23 23 ASP N N 121.761 0.10 1 194 24 24 SER H H 8.338 0.02 1 195 24 24 SER HA H 4.409 0.02 1 196 24 24 SER HB2 H 4.014 0.02 2 197 24 24 SER HB3 H 3.927 0.02 2 198 24 24 SER C C 175.365 0.10 1 199 24 24 SER CA C 58.977 0.10 1 200 24 24 SER CB C 63.820 0.10 1 201 24 24 SER N N 116.880 0.10 1 202 25 25 GLY H H 8.546 0.02 1 203 25 25 GLY HA2 H 4.019 0.02 2 204 25 25 GLY HA3 H 4.037 0.02 2 205 25 25 GLY C C 174.442 0.10 1 206 25 25 GLY CA C 45.576 0.10 1 207 25 25 GLY N N 110.607 0.10 1 208 26 26 CYS H H 8.215 0.02 1 209 26 26 CYS HA H 4.585 0.02 1 210 26 26 CYS HB2 H 2.977 0.02 2 211 26 26 CYS HB3 H 2.978 0.02 2 212 26 26 CYS C C 175.151 0.10 1 213 26 26 CYS CA C 58.607 0.10 1 214 26 26 CYS CB C 28.131 0.10 1 215 26 26 CYS N N 118.164 0.10 1 216 27 27 GLY H H 8.581 0.02 1 217 27 27 GLY HA2 H 4.017 0.02 1 218 27 27 GLY HA3 H 4.017 0.02 1 219 27 27 GLY C C 174.648 0.10 1 220 27 27 GLY N N 111.111 0.10 1 221 28 28 GLY H H 8.359 0.02 1 222 28 28 GLY HA2 H 4.018 0.02 1 223 28 28 GLY HA3 H 4.018 0.02 1 224 28 28 GLY C C 174.695 0.10 1 225 28 28 GLY CA C 45.308 0.10 1 226 28 28 GLY N N 108.858 0.10 1 227 29 29 GLY H H 8.347 0.02 1 228 29 29 GLY HA2 H 4.011 0.02 2 229 29 29 GLY HA3 H 4.003 0.02 2 230 29 29 GLY C C 174.248 0.10 1 231 29 29 GLY N N 108.684 0.10 1 232 30 30 GLU H H 8.488 0.02 1 233 30 30 GLU HA H 4.336 0.02 1 234 30 30 GLU HB2 H 1.997 0.02 2 235 30 30 GLU HB3 H 2.122 0.02 2 236 30 30 GLU HG2 H 2.311 0.02 2 237 30 30 GLU HG3 H 2.312 0.02 2 238 30 30 GLU C C 177.102 0.10 1 239 30 30 GLU CA C 56.828 0.10 1 240 30 30 GLU CB C 30.128 0.10 1 241 30 30 GLU CG C 36.174 0.10 1 242 30 30 GLU N N 120.451 0.10 1 243 31 31 GLY H H 8.523 0.02 1 244 31 31 GLY HA2 H 4.003 0.02 1 245 31 31 GLY HA3 H 4.003 0.02 1 246 31 31 GLY C C 173.979 0.10 1 247 31 31 GLY N N 109.875 0.10 1 248 32 32 VAL H H 7.895 0.02 1 249 32 32 VAL HA H 4.201 0.02 1 250 32 32 VAL HB H 2.110 0.02 1 251 32 32 VAL HG1 H 0.931 0.02 2 252 32 32 VAL HG2 H 0.947 0.02 2 253 32 32 VAL C C 175.965 0.10 1 254 32 32 VAL CA C 61.921 0.10 1 255 32 32 VAL CB C 32.987 0.10 1 256 32 32 VAL CG1 C 20.530 0.10 1 257 32 32 VAL CG2 C 21.239 0.10 1 258 32 32 VAL N N 118.622 0.10 1 259 33 33 GLU H H 8.578 0.02 1 260 33 33 GLU HA H 4.490 0.02 1 261 33 33 GLU HB2 H 2.116 0.02 2 262 33 33 GLU HB3 H 2.171 0.02 2 263 33 33 GLU HG2 H 2.384 0.02 2 264 33 33 GLU HG3 H 2.381 0.02 2 265 33 33 GLU C C 176.505 0.10 1 266 33 33 GLU CA C 56.416 0.10 1 267 33 33 GLU CB C 30.194 0.10 1 268 33 33 GLU CG C 36.687 0.10 1 269 33 33 GLU N N 124.954 0.10 1 270 34 34 THR H H 8.298 0.02 1 271 34 34 THR HA H 4.521 0.02 1 272 34 34 THR HB H 4.440 0.02 1 273 34 34 THR HG2 H 1.287 0.02 1 274 34 34 THR C C 175.571 0.10 1 275 34 34 THR CA C 61.711 0.10 1 276 34 34 THR CB C 70.229 0.10 1 277 34 34 THR CG2 C 21.453 0.10 1 278 34 34 THR N N 115.551 0.10 1 279 35 35 GLY H H 8.888 0.02 1 280 35 35 GLY HA2 H 3.864 0.02 2 281 35 35 GLY HA3 H 4.231 0.02 2 282 35 35 GLY C C 173.189 0.10 1 283 35 35 GLY CA C 45.648 0.10 1 284 35 35 GLY N N 112.166 0.10 1 285 36 36 ALA H H 8.092 0.02 1 286 36 36 ALA HA H 4.607 0.02 1 287 36 36 ALA HB H 1.263 0.02 1 288 36 36 ALA C C 174.301 0.10 1 289 36 36 ALA CA C 51.826 0.10 1 290 36 36 ALA CB C 22.839 0.10 1 291 36 36 ALA N N 118.510 0.10 1 292 37 37 LYS H H 8.617 0.02 1 293 37 37 LYS HA H 4.980 0.02 1 294 37 37 LYS HB2 H 1.368 0.02 2 295 37 37 LYS HB3 H 1.542 0.02 2 296 37 37 LYS HG2 H 0.962 0.02 2 297 37 37 LYS HG3 H 0.616 0.02 2 298 37 37 LYS HD2 H 1.378 0.02 2 299 37 37 LYS HD3 H 1.374 0.02 2 300 37 37 LYS HE2 H 2.667 0.02 2 301 37 37 LYS HE3 H 2.666 0.02 2 302 37 37 LYS C C 174.201 0.10 1 303 37 37 LYS CA C 55.435 0.10 1 304 37 37 LYS CB C 34.800 0.10 1 305 37 37 LYS CG C 24.540 0.10 1 306 37 37 LYS CD C 29.616 0.10 1 307 37 37 LYS CE C 41.726 0.10 1 308 37 37 LYS N N 121.580 0.10 1 309 38 38 LEU H H 9.381 0.02 1 310 38 38 LEU HA H 5.325 0.02 1 311 38 38 LEU HB2 H 1.728 0.02 2 312 38 38 LEU HB3 H 1.103 0.02 2 313 38 38 LEU HG H 0.885 0.02 1 314 38 38 LEU HD1 H 0.788 0.02 2 315 38 38 LEU HD2 H 0.818 0.02 2 316 38 38 LEU C C 176.013 0.10 1 317 38 38 LEU CA C 52.561 0.10 1 318 38 38 LEU CB C 43.883 0.10 1 319 38 38 LEU CD1 C 22.971 0.10 1 320 38 38 LEU CD2 C 26.085 0.10 1 321 38 38 LEU N N 120.966 0.10 1 322 39 39 LEU H H 9.102 0.02 1 323 39 39 LEU HA H 5.072 0.02 1 324 39 39 LEU HB2 H 1.460 0.02 2 325 39 39 LEU HB3 H 1.668 0.02 2 326 39 39 LEU HG H 1.468 0.02 1 327 39 39 LEU HD1 H 0.851 0.02 2 328 39 39 LEU HD2 H 0.891 0.02 2 329 39 39 LEU C C 176.523 0.10 1 330 39 39 LEU CA C 53.917 0.10 1 331 39 39 LEU CB C 43.329 0.10 1 332 39 39 LEU CG C 27.682 0.10 1 333 39 39 LEU CD1 C 24.148 0.10 1 334 39 39 LEU CD2 C 24.369 0.10 1 335 39 39 LEU N N 124.094 0.10 1 336 40 40 VAL H H 9.123 0.02 1 337 40 40 VAL HA H 5.050 0.02 1 338 40 40 VAL HB H 1.973 0.02 1 339 40 40 VAL HG1 H 1.216 0.02 2 340 40 40 VAL HG2 H 0.867 0.02 2 341 40 40 VAL C C 174.830 0.10 1 342 40 40 VAL CA C 60.772 0.10 1 343 40 40 VAL CB C 33.581 0.10 1 344 40 40 VAL CG1 C 22.486 0.10 1 345 40 40 VAL CG2 C 21.463 0.10 1 346 40 40 VAL N N 130.557 0.10 1 347 41 41 SER H H 9.367 0.02 1 348 41 41 SER HA H 5.346 0.02 1 349 41 41 SER HB2 H 3.787 0.02 2 350 41 41 SER HB3 H 3.963 0.02 2 351 41 41 SER C C 172.832 0.10 1 352 41 41 SER CA C 57.407 0.10 1 353 41 41 SER CB C 66.129 0.10 1 354 41 41 SER N N 120.328 0.10 1 355 42 42 ASN H H 8.554 0.02 1 356 42 42 ASN HA H 4.493 0.02 1 357 42 42 ASN HB2 H 2.828 0.02 2 358 42 42 ASN HB3 H 3.658 0.02 2 359 42 42 ASN HD21 H 7.129 0.02 1 360 42 42 ASN HD22 H 7.902 0.02 1 361 42 42 ASN C C 175.543 0.10 1 362 42 42 ASN CA C 53.499 0.10 1 363 42 42 ASN CB C 38.053 0.10 1 364 42 42 ASN N N 116.325 0.10 1 365 42 42 ASN ND2 N 110.857 0.10 1 366 43 43 LEU H H 8.251 0.02 1 367 43 43 LEU HA H 4.226 0.02 1 368 43 43 LEU HB2 H 1.095 0.02 2 369 43 43 LEU HB3 H 1.204 0.02 2 370 43 43 LEU HG H 1.325 0.02 1 371 43 43 LEU HD1 H 0.909 0.02 2 372 43 43 LEU HD2 H 0.441 0.02 2 373 43 43 LEU CA C 53.984 0.10 1 374 43 43 LEU CB C 43.659 0.10 1 375 43 43 LEU CG C 26.655 0.10 1 376 43 43 LEU CD1 C 23.364 0.10 1 377 43 43 LEU CD2 C 25.778 0.10 1 378 43 43 LEU N N 116.837 0.10 1 379 44 44 ASP H H 8.214 0.02 1 380 44 44 ASP HA H 4.246 0.02 1 381 44 44 ASP HB2 H 2.567 0.02 2 382 44 44 ASP HB3 H 2.772 0.02 2 383 44 44 ASP C C 177.477 0.10 1 384 44 44 ASP CA C 54.905 0.10 1 385 44 44 ASP CB C 43.017 0.10 1 386 44 44 ASP N N 120.050 0.10 1 387 45 45 PHE H H 8.185 0.02 1 388 45 45 PHE HA H 4.315 0.02 1 389 45 45 PHE HB2 H 3.044 0.02 2 390 45 45 PHE HB3 H 3.399 0.02 2 391 45 45 PHE HD1 H 7.257 0.02 3 392 45 45 PHE HD2 H 7.258 0.02 3 393 45 45 PHE HE1 H 7.326 0.02 3 394 45 45 PHE HE2 H 7.292 0.02 3 395 45 45 PHE HZ H 7.361 0.02 1 396 45 45 PHE C C 175.569 0.10 1 397 45 45 PHE CA C 59.605 0.10 1 398 45 45 PHE CB C 38.196 0.10 1 399 45 45 PHE CD1 C 131.252 0.10 3 400 45 45 PHE CZ C 129.913 0.10 1 401 45 45 PHE N N 123.195 0.10 1 402 46 46 GLY H H 8.857 0.02 1 403 46 46 GLY HA2 H 3.671 0.02 2 404 46 46 GLY HA3 H 4.186 0.02 2 405 46 46 GLY C C 174.475 0.10 1 406 46 46 GLY CA C 44.846 0.10 1 407 46 46 GLY N N 107.369 0.10 1 408 47 47 VAL H H 6.994 0.02 1 409 47 47 VAL HA H 3.512 0.02 1 410 47 47 VAL HB H 1.575 0.02 1 411 47 47 VAL HG1 H 0.046 0.02 2 412 47 47 VAL HG2 H -0.044 0.02 2 413 47 47 VAL C C 175.779 0.10 1 414 47 47 VAL CA C 63.586 0.10 1 415 47 47 VAL CB C 30.783 0.10 1 416 47 47 VAL CG1 C 21.939 0.10 1 417 47 47 VAL CG2 C 20.708 0.10 1 418 47 47 VAL N N 122.376 0.10 1 419 48 48 SER H H 9.490 0.02 1 420 48 48 SER HA H 4.931 0.02 1 421 48 48 SER HB2 H 3.979 0.02 2 422 48 48 SER HB3 H 4.384 0.02 2 423 48 48 SER C C 175.184 0.10 1 424 48 48 SER CA C 56.585 0.10 1 425 48 48 SER CB C 67.818 0.10 1 426 48 48 SER N N 126.189 0.10 1 427 49 49 ASP H H 8.714 0.02 1 428 49 49 ASP HA H 4.127 0.02 1 429 49 49 ASP HB2 H 2.806 0.02 2 430 49 49 ASP HB3 H 2.985 0.02 2 431 49 49 ASP C C 177.747 0.10 1 432 49 49 ASP CA C 58.243 0.10 1 433 49 49 ASP CB C 40.068 0.10 1 434 49 49 ASP N N 120.694 0.10 1 435 50 50 ALA H H 8.158 0.02 1 436 50 50 ALA HA H 4.115 0.02 1 437 50 50 ALA HB H 1.467 0.02 1 438 50 50 ALA C C 180.447 0.10 1 439 50 50 ALA CA C 55.087 0.10 1 440 50 50 ALA CB C 18.298 0.10 1 441 50 50 ALA N N 119.502 0.10 1 442 51 51 ASP H H 7.473 0.02 1 443 51 51 ASP HA H 4.719 0.02 1 444 51 51 ASP HB2 H 2.963 0.02 2 445 51 51 ASP HB3 H 2.969 0.02 2 446 51 51 ASP C C 177.080 0.10 1 447 51 51 ASP CA C 57.684 0.10 1 448 51 51 ASP CB C 41.985 0.10 1 449 51 51 ASP N N 118.999 0.10 1 450 52 52 ILE H H 7.384 0.02 1 451 52 52 ILE HA H 4.047 0.02 1 452 52 52 ILE HB H 2.135 0.02 1 453 52 52 ILE HG12 H 1.499 0.02 2 454 52 52 ILE HG13 H 1.050 0.02 2 455 52 52 ILE HG2 H 0.843 0.02 1 456 52 52 ILE HD1 H 0.590 0.02 1 457 52 52 ILE C C 178.431 0.10 1 458 52 52 ILE CA C 61.888 0.10 1 459 52 52 ILE CB C 36.199 0.10 1 460 52 52 ILE CG1 C 26.660 0.10 1 461 52 52 ILE CG2 C 18.920 0.10 1 462 52 52 ILE CD1 C 10.451 0.10 1 463 52 52 ILE N N 116.778 0.10 1 464 53 53 GLN H H 8.508 0.02 1 465 53 53 GLN HA H 3.747 0.02 1 466 53 53 GLN HB2 H 2.198 0.02 2 467 53 53 GLN HB3 H 2.247 0.02 2 468 53 53 GLN HG2 H 2.473 0.02 2 469 53 53 GLN HG3 H 2.470 0.02 2 470 53 53 GLN HE21 H 7.501 0.02 1 471 53 53 GLN HE22 H 6.869 0.02 1 472 53 53 GLN C C 177.073 0.10 1 473 53 53 GLN CA C 59.738 0.10 1 474 53 53 GLN CB C 27.884 0.10 1 475 53 53 GLN CG C 34.143 0.10 1 476 53 53 GLN N N 120.321 0.10 1 477 53 53 GLN NE2 N 109.995 0.10 1 478 54 54 GLU H H 8.114 0.02 1 479 54 54 GLU HA H 4.020 0.02 1 480 54 54 GLU HB2 H 2.224 0.02 2 481 54 54 GLU HB3 H 2.379 0.02 2 482 54 54 GLU HG2 H 2.462 0.02 2 483 54 54 GLU HG3 H 2.287 0.02 2 484 54 54 GLU C C 178.992 0.10 1 485 54 54 GLU CA C 58.988 0.10 1 486 54 54 GLU CB C 29.190 0.10 1 487 54 54 GLU CG C 36.482 0.10 1 488 54 54 GLU N N 117.266 0.10 1 489 55 55 LEU H H 7.887 0.02 1 490 55 55 LEU HA H 4.094 0.02 1 491 55 55 LEU HB2 H 1.507 0.02 2 492 55 55 LEU HB3 H 1.731 0.02 2 493 55 55 LEU HG H 0.615 0.02 1 494 55 55 LEU HD1 H 0.364 0.02 2 495 55 55 LEU HD2 H -0.051 0.02 2 496 55 55 LEU C C 178.857 0.10 1 497 55 55 LEU CA C 57.563 0.10 1 498 55 55 LEU CB C 43.233 0.10 1 499 55 55 LEU CG C 26.649 0.10 1 500 55 55 LEU CD1 C 23.502 0.10 1 501 55 55 LEU CD2 C 25.912 0.10 1 502 55 55 LEU N N 117.388 0.10 1 503 56 56 PHE H H 8.219 0.02 1 504 56 56 PHE HA H 4.876 0.02 1 505 56 56 PHE HB2 H 3.488 0.02 2 506 56 56 PHE HB3 H 2.921 0.02 2 507 56 56 PHE HD1 H 7.807 0.02 3 508 56 56 PHE HD2 H 7.807 0.02 3 509 56 56 PHE HE1 H 7.232 0.02 3 510 56 56 PHE HE2 H 7.237 0.02 3 511 56 56 PHE HZ H 7.225 0.02 1 512 56 56 PHE C C 177.044 0.10 1 513 56 56 PHE CA C 62.096 0.10 1 514 56 56 PHE CB C 39.689 0.10 1 515 56 56 PHE CD1 C 132.728 0.10 3 516 56 56 PHE CD2 C 132.688 0.10 3 517 56 56 PHE CE1 C 130.672 0.10 3 518 56 56 PHE CE2 C 130.664 0.10 3 519 56 56 PHE CZ C 129.692 0.10 1 520 56 56 PHE N N 112.254 0.10 1 521 57 57 ALA H H 8.677 0.02 1 522 57 57 ALA HA H 4.541 0.02 1 523 57 57 ALA HB H 1.619 0.02 1 524 57 57 ALA C C 179.037 0.10 1 525 57 57 ALA CA C 54.940 0.10 1 526 57 57 ALA CB C 18.050 0.10 1 527 57 57 ALA N N 121.699 0.10 1 528 58 58 GLU H H 7.311 0.02 1 529 58 58 GLU HA H 4.058 0.02 1 530 58 58 GLU HB2 H 1.738 0.02 2 531 58 58 GLU HB3 H 1.936 0.02 2 532 58 58 GLU HG2 H 1.573 0.02 2 533 58 58 GLU HG3 H 1.837 0.02 2 534 58 58 GLU C C 177.053 0.10 1 535 58 58 GLU CA C 57.867 0.10 1 536 58 58 GLU CB C 29.695 0.10 1 537 58 58 GLU CG C 35.236 0.10 1 538 58 58 GLU N N 113.840 0.10 1 539 59 59 PHE H H 7.863 0.02 1 540 59 59 PHE HA H 4.337 0.02 1 541 59 59 PHE HB2 H 3.254 0.02 2 542 59 59 PHE HB3 H 3.441 0.02 2 543 59 59 PHE HD1 H 7.631 0.02 3 544 59 59 PHE HD2 H 7.631 0.02 3 545 59 59 PHE HE1 H 7.449 0.02 3 546 59 59 PHE HE2 H 7.441 0.02 3 547 59 59 PHE HZ H 7.061 0.02 1 548 59 59 PHE C C 174.798 0.10 1 549 59 59 PHE CA C 59.981 0.10 1 550 59 59 PHE CB C 40.102 0.10 1 551 59 59 PHE CD1 C 131.879 0.10 3 552 59 59 PHE CD2 C 131.879 0.10 3 553 59 59 PHE CE1 C 131.832 0.10 3 554 59 59 PHE CE2 C 131.879 0.10 3 555 59 59 PHE CZ C 129.666 0.10 1 556 59 59 PHE N N 115.655 0.10 1 557 60 60 GLY H H 7.535 0.02 1 558 60 60 GLY HA2 H 3.944 0.02 2 559 60 60 GLY HA3 H 4.894 0.02 2 560 60 60 GLY C C 184.935 0.10 1 561 60 60 GLY CA C 44.834 0.10 1 562 60 60 GLY N N 105.065 0.10 1 563 61 61 THR H H 8.227 0.02 1 564 61 61 THR HA H 4.119 0.02 1 565 61 61 THR HB H 4.074 0.02 1 566 61 61 THR HG2 H 1.243 0.02 1 567 61 61 THR C C 175.067 0.10 1 568 61 61 THR CA C 64.366 0.10 1 569 61 61 THR CB C 69.397 0.10 1 570 61 61 THR CG2 C 22.616 0.10 1 571 61 61 THR N N 112.834 0.10 1 572 62 62 LEU H H 8.960 0.02 1 573 62 62 LEU HA H 4.573 0.02 1 574 62 62 LEU HB2 H 1.024 0.02 2 575 62 62 LEU HB3 H 1.742 0.02 2 576 62 62 LEU HG H 1.691 0.02 1 577 62 62 LEU HD1 H 0.788 0.02 2 578 62 62 LEU HD2 H -0.074 0.02 2 579 62 62 LEU C C 177.275 0.10 1 580 62 62 LEU CA C 53.649 0.10 1 581 62 62 LEU CB C 43.115 0.10 1 582 62 62 LEU CG C 26.395 0.10 1 583 62 62 LEU CD1 C 26.100 0.10 1 584 62 62 LEU CD2 C 23.196 0.10 1 585 62 62 LEU N N 127.972 0.10 1 586 63 63 LYS H H 8.907 0.02 1 587 63 63 LYS HA H 4.316 0.02 1 588 63 63 LYS HB2 H 1.712 0.02 2 589 63 63 LYS HB3 H 1.287 0.02 2 590 63 63 LYS HG2 H 1.263 0.02 1 591 63 63 LYS HG3 H 1.263 0.02 1 592 63 63 LYS HD2 H 1.463 0.02 2 593 63 63 LYS HD3 H 1.456 0.02 2 594 63 63 LYS HE2 H 2.883 0.02 2 595 63 63 LYS HE3 H 2.947 0.02 2 596 63 63 LYS C C 176.342 0.10 1 597 63 63 LYS CA C 56.521 0.10 1 598 63 63 LYS CB C 33.148 0.10 1 599 63 63 LYS CG C 24.541 0.10 1 600 63 63 LYS CD C 28.177 0.10 1 601 63 63 LYS CE C 41.479 0.10 1 602 63 63 LYS N N 121.827 0.10 1 603 64 64 LYS H H 7.454 0.02 1 604 64 64 LYS HA H 4.264 0.02 1 605 64 64 LYS HB2 H 1.758 0.02 2 606 64 64 LYS HB3 H 1.297 0.02 2 607 64 64 LYS HG2 H 1.154 0.02 2 608 64 64 LYS HG3 H 1.318 0.02 2 609 64 64 LYS HD2 H 1.447 0.02 2 610 64 64 LYS HD3 H 1.304 0.02 2 611 64 64 LYS HE2 H 2.832 0.02 2 612 64 64 LYS HE3 H 2.884 0.02 2 613 64 64 LYS C C 173.940 0.10 1 614 64 64 LYS CA C 56.568 0.10 1 615 64 64 LYS CB C 35.491 0.10 1 616 64 64 LYS CG C 24.895 0.10 1 617 64 64 LYS CD C 28.967 0.10 1 618 64 64 LYS CE C 42.261 0.10 1 619 64 64 LYS N N 117.334 0.10 1 620 65 65 ALA H H 8.744 0.02 1 621 65 65 ALA HA H 4.952 0.02 1 622 65 65 ALA HB H 1.311 0.02 1 623 65 65 ALA C C 173.714 0.10 1 624 65 65 ALA CA C 52.128 0.10 1 625 65 65 ALA CB C 20.154 0.10 1 626 65 65 ALA N N 128.613 0.10 1 627 66 66 ALA H H 8.253 0.02 1 628 66 66 ALA HA H 4.833 0.02 1 629 66 66 ALA HB H 1.390 0.02 1 630 66 66 ALA C C 176.257 0.10 1 631 66 66 ALA CA C 51.245 0.10 1 632 66 66 ALA CB C 22.558 0.10 1 633 66 66 ALA N N 123.917 0.10 1 634 67 67 VAL H H 9.161 0.02 1 635 67 67 VAL HA H 3.983 0.02 1 636 67 67 VAL HB H 1.921 0.02 1 637 67 67 VAL HG1 H 0.465 0.02 2 638 67 67 VAL HG2 H 0.682 0.02 2 639 67 67 VAL C C 175.000 0.10 1 640 67 67 VAL CA C 62.462 0.10 1 641 67 67 VAL CB C 33.140 0.10 1 642 67 67 VAL CG1 C 20.465 0.10 1 643 67 67 VAL CG2 C 22.872 0.10 1 644 67 67 VAL N N 127.396 0.10 1 645 68 68 ASP H H 8.423 0.02 1 646 68 68 ASP HA H 4.734 0.02 1 647 68 68 ASP HB2 H 2.480 0.02 2 648 68 68 ASP HB3 H 2.442 0.02 2 649 68 68 ASP C C 173.206 0.10 1 650 68 68 ASP CA C 54.196 0.10 1 651 68 68 ASP CB C 41.733 0.10 1 652 68 68 ASP N N 125.184 0.10 1 653 69 69 TYR H H 8.432 0.02 1 654 69 69 TYR HA H 5.075 0.02 1 655 69 69 TYR HB2 H 2.799 0.02 2 656 69 69 TYR HB3 H 2.840 0.02 2 657 69 69 TYR HD1 H 6.930 0.02 3 658 69 69 TYR HD2 H 6.940 0.02 3 659 69 69 TYR HE1 H 6.930 0.02 3 660 69 69 TYR HE2 H 6.923 0.02 3 661 69 69 TYR C C 176.749 0.10 1 662 69 69 TYR CA C 57.114 0.10 1 663 69 69 TYR CB C 42.261 0.10 1 664 69 69 TYR CD1 C 132.767 0.10 3 665 69 69 TYR CD2 C 132.864 0.10 3 666 69 69 TYR CE1 C 117.928 0.10 3 667 69 69 TYR CE2 C 117.875 0.10 3 668 69 69 TYR N N 120.347 0.10 1 669 70 70 ASP H H 9.048 0.02 1 670 70 70 ASP HA H 4.762 0.02 1 671 70 70 ASP HB2 H 2.758 0.02 2 672 70 70 ASP HB3 H 3.457 0.02 2 673 70 70 ASP C C 178.363 0.10 1 674 70 70 ASP CA C 52.370 0.10 1 675 70 70 ASP CB C 41.144 0.10 1 676 70 70 ASP N N 121.175 0.10 1 677 71 71 ARG H H 8.510 0.02 1 678 71 71 ARG HA H 4.194 0.02 1 679 71 71 ARG HB2 H 1.964 0.02 2 680 71 71 ARG HB3 H 1.978 0.02 2 681 71 71 ARG HG2 H 1.784 0.02 1 682 71 71 ARG HG3 H 1.784 0.02 1 683 71 71 ARG HD2 H 3.271 0.02 2 684 71 71 ARG HD3 H 3.285 0.02 2 685 71 71 ARG C C 177.329 0.10 1 686 71 71 ARG CA C 58.519 0.10 1 687 71 71 ARG CB C 29.540 0.10 1 688 71 71 ARG CG C 27.376 0.10 1 689 71 71 ARG CD C 43.361 0.10 1 690 71 71 ARG N N 117.739 0.10 1 691 72 72 SER H H 8.445 0.02 1 692 72 72 SER HA H 4.622 0.02 1 693 72 72 SER HB2 H 4.009 0.02 1 694 72 72 SER HB3 H 4.009 0.02 1 695 72 72 SER C C 174.500 0.10 1 696 72 72 SER CA C 58.475 0.10 1 697 72 72 SER CB C 64.097 0.10 1 698 72 72 SER N N 115.526 0.10 1 699 73 73 GLY H H 8.254 0.02 1 700 73 73 GLY HA2 H 4.223 0.02 2 701 73 73 GLY HA3 H 3.618 0.02 2 702 73 73 GLY C C 173.643 0.10 1 703 73 73 GLY CA C 45.434 0.10 1 704 73 73 GLY N N 109.787 0.10 1 705 74 74 ARG H H 8.291 0.02 1 706 74 74 ARG HA H 4.515 0.02 1 707 74 74 ARG HB2 H 1.848 0.02 2 708 74 74 ARG HB3 H 1.873 0.02 2 709 74 74 ARG HG2 H 1.629 0.02 1 710 74 74 ARG HG3 H 1.629 0.02 1 711 74 74 ARG HD2 H 3.155 0.02 2 712 74 74 ARG HD3 H 3.159 0.02 2 713 74 74 ARG HE H 7.347 0.02 1 714 74 74 ARG C C 176.262 0.10 1 715 74 74 ARG CA C 55.308 0.10 1 716 74 74 ARG CB C 30.550 0.10 1 717 74 74 ARG CG C 27.497 0.10 1 718 74 74 ARG CD C 43.345 0.10 1 719 74 74 ARG N N 122.140 0.10 1 720 74 74 ARG NE N 85.400 0.10 1 721 75 75 SER H H 8.809 0.02 1 722 75 75 SER HA H 4.097 0.02 1 723 75 75 SER HB2 H 3.884 0.02 2 724 75 75 SER HB3 H 4.062 0.02 2 725 75 75 SER C C 175.943 0.10 1 726 75 75 SER CA C 58.221 0.10 1 727 75 75 SER CB C 64.001 0.10 1 728 75 75 SER N N 118.398 0.10 1 729 76 76 LEU H H 8.722 0.02 1 730 76 76 LEU HA H 4.454 0.02 1 731 76 76 LEU HB2 H 1.653 0.02 2 732 76 76 LEU HB3 H 1.559 0.02 2 733 76 76 LEU HG H 1.527 0.02 1 734 76 76 LEU HD1 H 0.741 0.02 2 735 76 76 LEU HD2 H 0.964 0.02 2 736 76 76 LEU C C 178.888 0.10 1 737 76 76 LEU CA C 54.988 0.10 1 738 76 76 LEU CB C 42.279 0.10 1 739 76 76 LEU CG C 27.519 0.10 1 740 76 76 LEU CD1 C 25.555 0.10 1 741 76 76 LEU CD2 C 23.386 0.10 1 742 76 76 LEU N N 125.225 0.10 1 743 77 77 GLY H H 9.657 0.02 1 744 77 77 GLY HA2 H 3.416 0.02 2 745 77 77 GLY HA3 H 4.051 0.02 2 746 77 77 GLY C C 172.086 0.10 1 747 77 77 GLY CA C 46.016 0.10 1 748 77 77 GLY N N 109.777 0.10 1 749 78 78 THR H H 7.054 0.02 1 750 78 78 THR HA H 5.376 0.02 1 751 78 78 THR HB H 4.361 0.02 1 752 78 78 THR HG2 H 1.112 0.02 1 753 78 78 THR C C 172.503 0.10 1 754 78 78 THR CA C 58.361 0.10 1 755 78 78 THR CB C 72.478 0.10 1 756 78 78 THR CG2 C 21.266 0.10 1 757 78 78 THR N N 106.376 0.10 1 758 79 79 ALA H H 9.174 0.02 1 759 79 79 ALA HA H 4.852 0.02 1 760 79 79 ALA HB H 0.950 0.02 1 761 79 79 ALA C C 174.444 0.10 1 762 79 79 ALA CA C 50.884 0.10 1 763 79 79 ALA CB C 23.441 0.10 1 764 79 79 ALA N N 119.536 0.10 1 765 80 80 ASP H H 8.366 0.02 1 766 80 80 ASP HA H 5.173 0.02 1 767 80 80 ASP HB2 H 2.619 0.02 2 768 80 80 ASP HB3 H 2.655 0.02 2 769 80 80 ASP C C 175.109 0.10 1 770 80 80 ASP CA C 52.820 0.10 1 771 80 80 ASP CB C 43.288 0.10 1 772 80 80 ASP N N 121.260 0.10 1 773 81 81 VAL H H 8.387 0.02 1 774 81 81 VAL HA H 4.425 0.02 1 775 81 81 VAL HB H 1.682 0.02 1 776 81 81 VAL HG1 H 0.378 0.02 2 777 81 81 VAL HG2 H 0.341 0.02 2 778 81 81 VAL C C 173.939 0.10 1 779 81 81 VAL CA C 61.081 0.10 1 780 81 81 VAL CB C 33.858 0.10 1 781 81 81 VAL CG1 C 21.062 0.10 1 782 81 81 VAL CG2 C 22.676 0.10 1 783 81 81 VAL N N 122.980 0.10 1 784 82 82 HIS H H 9.271 0.02 1 785 82 82 HIS HA H 5.501 0.02 1 786 82 82 HIS HB2 H 3.197 0.02 2 787 82 82 HIS HB3 H 2.957 0.02 2 788 82 82 HIS HD2 H 6.933 0.02 1 789 82 82 HIS C C 174.910 0.10 1 790 82 82 HIS CA C 53.326 0.10 1 791 82 82 HIS CB C 33.608 0.10 1 792 82 82 HIS CD2 C 116.893 0.10 1 793 82 82 HIS N N 127.248 0.10 1 794 83 83 PHE H H 9.310 0.02 1 795 83 83 PHE HA H 4.853 0.02 1 796 83 83 PHE HB2 H 3.736 0.02 2 797 83 83 PHE HB3 H 2.733 0.02 2 798 83 83 PHE HD1 H 7.285 0.02 3 799 83 83 PHE HD2 H 7.268 0.02 3 800 83 83 PHE HE1 H 7.151 0.02 3 801 83 83 PHE HE2 H 7.179 0.02 3 802 83 83 PHE HZ H 7.463 0.02 1 803 83 83 PHE C C 175.563 0.10 1 804 83 83 PHE CA C 58.238 0.10 1 805 83 83 PHE CB C 41.253 0.10 1 806 83 83 PHE CD1 C 129.903 0.10 3 807 83 83 PHE CZ C 129.365 0.10 1 808 83 83 PHE N N 125.565 0.10 1 809 84 84 GLU H H 8.211 0.02 1 810 84 84 GLU HA H 4.091 0.02 1 811 84 84 GLU HB2 H 1.981 0.02 2 812 84 84 GLU HB3 H 2.241 0.02 2 813 84 84 GLU HG2 H 2.183 0.02 2 814 84 84 GLU HG3 H 2.278 0.02 2 815 84 84 GLU C C 176.391 0.10 1 816 84 84 GLU CA C 59.385 0.10 1 817 84 84 GLU CB C 30.390 0.10 1 818 84 84 GLU CG C 36.904 0.10 1 819 84 84 GLU N N 120.966 0.10 1 820 85 85 ARG H H 9.397 0.02 1 821 85 85 ARG HA H 4.881 0.02 1 822 85 85 ARG HB2 H 1.971 0.02 1 823 85 85 ARG HB3 H 1.971 0.02 1 824 85 85 ARG HG2 H 1.673 0.02 2 825 85 85 ARG HG3 H 1.845 0.02 2 826 85 85 ARG HD2 H 3.349 0.02 2 827 85 85 ARG HD3 H 3.406 0.02 2 828 85 85 ARG HE H 7.646 0.02 1 829 85 85 ARG HH11 H 6.931 0.02 1 830 85 85 ARG C C 176.856 0.10 1 831 85 85 ARG CA C 54.191 0.10 1 832 85 85 ARG CB C 31.723 0.10 1 833 85 85 ARG CG C 27.098 0.10 1 834 85 85 ARG CD C 43.610 0.10 1 835 85 85 ARG N N 115.287 0.10 1 836 85 85 ARG NE N 84.704 0.10 1 837 86 86 ARG H H 9.358 0.02 1 838 86 86 ARG HA H 3.719 0.02 1 839 86 86 ARG HB2 H 1.828 0.02 2 840 86 86 ARG HB3 H 1.833 0.02 2 841 86 86 ARG HG2 H 1.488 0.02 2 842 86 86 ARG HG3 H 1.788 0.02 2 843 86 86 ARG HD2 H 3.228 0.02 2 844 86 86 ARG HD3 H 3.147 0.02 2 845 86 86 ARG HE H 7.409 0.02 1 846 86 86 ARG C C 177.253 0.10 1 847 86 86 ARG CA C 59.798 0.10 1 848 86 86 ARG CB C 29.684 0.10 1 849 86 86 ARG CG C 27.954 0.10 1 850 86 86 ARG CD C 42.317 0.10 1 851 86 86 ARG N N 127.396 0.10 1 852 86 86 ARG NE N 84.448 0.10 1 853 87 87 ALA H H 9.168 0.02 1 854 87 87 ALA HA H 3.959 0.02 1 855 87 87 ALA HB H 1.433 0.02 1 856 87 87 ALA C C 179.946 0.10 1 857 87 87 ALA CA C 55.260 0.10 1 858 87 87 ALA CB C 18.508 0.10 1 859 87 87 ALA N N 118.374 0.10 1 860 88 88 ASP H H 6.767 0.02 1 861 88 88 ASP HA H 4.355 0.02 1 862 88 88 ASP HB2 H 2.656 0.02 2 863 88 88 ASP HB3 H 2.896 0.02 2 864 88 88 ASP C C 176.273 0.10 1 865 88 88 ASP CA C 56.772 0.10 1 866 88 88 ASP CB C 41.684 0.10 1 867 88 88 ASP N N 117.864 0.10 1 868 89 89 ALA H H 6.692 0.02 1 869 89 89 ALA HA H 2.833 0.02 1 870 89 89 ALA HB H 1.167 0.02 1 871 89 89 ALA C C 179.084 0.10 1 872 89 89 ALA CA C 54.054 0.10 1 873 89 89 ALA CB C 18.774 0.10 1 874 89 89 ALA N N 121.331 0.10 1 875 90 90 LEU H H 7.900 0.02 1 876 90 90 LEU HA H 3.830 0.02 1 877 90 90 LEU HB2 H 1.479 0.02 2 878 90 90 LEU HB3 H 1.715 0.02 2 879 90 90 LEU HG H 1.497 0.02 1 880 90 90 LEU HD1 H 0.862 0.02 2 881 90 90 LEU HD2 H 0.812 0.02 2 882 90 90 LEU C C 179.605 0.10 1 883 90 90 LEU CA C 58.024 0.10 1 884 90 90 LEU CB C 41.181 0.10 1 885 90 90 LEU CD1 C 24.967 0.10 1 886 90 90 LEU CD2 C 23.368 0.10 1 887 90 90 LEU N N 115.741 0.10 1 888 91 91 LYS H H 7.329 0.02 1 889 91 91 LYS HA H 3.881 0.02 1 890 91 91 LYS HB2 H 2.023 0.02 2 891 91 91 LYS HB3 H 2.015 0.02 2 892 91 91 LYS HG2 H 1.718 0.02 2 893 91 91 LYS HG3 H 1.538 0.02 2 894 91 91 LYS HD2 H 1.910 0.02 2 895 91 91 LYS HD3 H 1.894 0.02 2 896 91 91 LYS HE2 H 3.112 0.02 2 897 91 91 LYS HE3 H 3.123 0.02 2 898 91 91 LYS C C 178.385 0.10 1 899 91 91 LYS CA C 59.668 0.10 1 900 91 91 LYS CB C 32.687 0.10 1 901 91 91 LYS CG C 25.486 0.10 1 902 91 91 LYS CE C 42.307 0.10 1 903 91 91 LYS N N 119.702 0.10 1 904 92 92 ALA H H 7.454 0.02 1 905 92 92 ALA HA H 2.562 0.02 1 906 92 92 ALA HB H 1.200 0.02 1 907 92 92 ALA C C 178.686 0.10 1 908 92 92 ALA CA C 54.716 0.10 1 909 92 92 ALA CB C 19.420 0.10 1 910 92 92 ALA N N 122.302 0.10 1 911 93 93 MET H H 8.111 0.02 1 912 93 93 MET HA H 3.865 0.02 1 913 93 93 MET HB2 H 2.250 0.02 2 914 93 93 MET HB3 H 1.943 0.02 2 915 93 93 MET HG2 H 2.435 0.02 2 916 93 93 MET HG3 H 2.239 0.02 2 917 93 93 MET HE H 2.097 0.02 1 918 93 93 MET C C 176.973 0.10 1 919 93 93 MET CA C 59.571 0.10 1 920 93 93 MET CB C 33.335 0.10 1 921 93 93 MET CG C 31.568 0.10 1 922 93 93 MET CE C 17.117 0.10 1 923 93 93 MET N N 115.729 0.10 1 924 94 94 LYS H H 7.884 0.02 1 925 94 94 LYS HA H 3.950 0.02 1 926 94 94 LYS HB2 H 1.867 0.02 2 927 94 94 LYS HB3 H 1.866 0.02 2 928 94 94 LYS HG2 H 1.512 0.02 2 929 94 94 LYS HG3 H 1.452 0.02 2 930 94 94 LYS HD2 H 1.689 0.02 2 931 94 94 LYS HD3 H 1.675 0.02 2 932 94 94 LYS HE2 H 2.964 0.02 2 933 94 94 LYS HE3 H 2.966 0.02 2 934 94 94 LYS C C 178.584 0.10 1 935 94 94 LYS CA C 58.820 0.10 1 936 94 94 LYS CB C 32.221 0.10 1 937 94 94 LYS CG C 24.938 0.10 1 938 94 94 LYS CD C 29.025 0.10 1 939 94 94 LYS N N 117.056 0.10 1 940 95 95 GLN H H 7.441 0.02 1 941 95 95 GLN HA H 3.979 0.02 1 942 95 95 GLN HB2 H 1.233 0.02 2 943 95 95 GLN HB3 H 1.781 0.02 2 944 95 95 GLN HG2 H 1.486 0.02 2 945 95 95 GLN HG3 H 1.846 0.02 2 946 95 95 GLN HE21 H 6.941 0.02 1 947 95 95 GLN HE22 H 6.850 0.02 1 948 95 95 GLN C C 177.555 0.10 1 949 95 95 GLN CA C 58.057 0.10 1 950 95 95 GLN CB C 28.216 0.10 1 951 95 95 GLN CG C 32.305 0.10 1 952 95 95 GLN N N 116.470 0.10 1 953 95 95 GLN NE2 N 110.933 0.10 1 954 96 96 TYR H H 7.206 0.02 1 955 96 96 TYR HA H 5.059 0.02 1 956 96 96 TYR HB2 H 3.483 0.02 2 957 96 96 TYR HB3 H 2.453 0.02 2 958 96 96 TYR HD1 H 6.812 0.02 3 959 96 96 TYR HD2 H 6.811 0.02 3 960 96 96 TYR HE1 H 6.664 0.02 3 961 96 96 TYR HE2 H 6.660 0.02 3 962 96 96 TYR C C 175.744 0.10 1 963 96 96 TYR CA C 57.785 0.10 1 964 96 96 TYR CB C 40.395 0.10 1 965 96 96 TYR CD1 C 132.131 0.10 3 966 96 96 TYR CD2 C 132.131 0.10 3 967 96 96 TYR CE1 C 118.242 0.10 3 968 96 96 TYR CE2 C 118.186 0.10 3 969 96 96 TYR N N 111.017 0.10 1 970 97 97 LYS H H 8.505 0.02 1 971 97 97 LYS HA H 3.875 0.02 1 972 97 97 LYS HB2 H 2.015 0.02 2 973 97 97 LYS HB3 H 2.032 0.02 2 974 97 97 LYS HG2 H 1.513 0.02 2 975 97 97 LYS HG3 H 1.724 0.02 2 976 97 97 LYS HD2 H 1.796 0.02 1 977 97 97 LYS HD3 H 1.796 0.02 1 978 97 97 LYS HE2 H 3.161 0.02 2 979 97 97 LYS HE3 H 3.185 0.02 2 980 97 97 LYS C C 178.066 0.10 1 981 97 97 LYS CA C 60.350 0.10 1 982 97 97 LYS CB C 32.606 0.10 1 983 97 97 LYS CG C 25.489 0.10 1 984 97 97 LYS N N 121.609 0.10 1 985 98 98 GLY H H 9.244 0.02 1 986 98 98 GLY HA2 H 3.663 0.02 2 987 98 98 GLY HA3 H 4.311 0.02 2 988 98 98 GLY C C 174.022 0.10 1 989 98 98 GLY CA C 45.592 0.10 1 990 98 98 GLY N N 116.853 0.10 1 991 99 99 VAL H H 7.932 0.02 1 992 99 99 VAL HA H 4.074 0.02 1 993 99 99 VAL HB H 2.260 0.02 1 994 99 99 VAL HG1 H 0.993 0.02 2 995 99 99 VAL HG2 H 1.141 0.02 2 996 99 99 VAL CA C 61.199 0.10 1 997 99 99 VAL CB C 32.447 0.10 1 998 99 99 VAL CG1 C 21.319 0.10 1 999 99 99 VAL CG2 C 23.578 0.10 1 1000 99 99 VAL N N 122.924 0.10 1 1001 100 100 PRO HA H 4.801 0.02 1 1002 100 100 PRO HB2 H 1.827 0.02 2 1003 100 100 PRO HB3 H 2.017 0.02 2 1004 100 100 PRO HG2 H 2.256 0.02 2 1005 100 100 PRO HG3 H 2.033 0.02 2 1006 100 100 PRO HD2 H 3.658 0.02 2 1007 100 100 PRO HD3 H 4.209 0.02 2 1008 100 100 PRO C C 175.556 0.10 1 1009 100 100 PRO CB C 31.918 0.10 1 1010 100 100 PRO CG C 27.398 0.10 1 1011 100 100 PRO CD C 50.916 0.10 1 1012 101 101 LEU H H 7.590 0.02 1 1013 101 101 LEU HA H 4.504 0.02 1 1014 101 101 LEU HB2 H 1.750 0.02 2 1015 101 101 LEU HB3 H 1.415 0.02 2 1016 101 101 LEU HG H 1.472 0.02 1 1017 101 101 LEU HD1 H 0.810 0.02 2 1018 101 101 LEU HD2 H 0.763 0.02 2 1019 101 101 LEU C C 177.116 0.10 1 1020 101 101 LEU CA C 53.704 0.10 1 1021 101 101 LEU CB C 43.690 0.10 1 1022 101 101 LEU CD1 C 24.951 0.10 1 1023 101 101 LEU CD2 C 25.452 0.10 1 1024 101 101 LEU N N 122.598 0.10 1 1025 102 102 ASP H H 9.496 0.02 1 1026 102 102 ASP HA H 4.332 0.02 1 1027 102 102 ASP HB2 H 2.736 0.02 2 1028 102 102 ASP HB3 H 2.976 0.02 2 1029 102 102 ASP C C 175.979 0.10 1 1030 102 102 ASP CA C 55.545 0.10 1 1031 102 102 ASP CB C 39.538 0.10 1 1032 102 102 ASP N N 127.937 0.10 1 1033 103 103 GLY H H 8.522 0.02 1 1034 103 103 GLY HA2 H 4.218 0.02 2 1035 103 103 GLY HA3 H 3.653 0.02 2 1036 103 103 GLY C C 173.955 0.10 1 1037 103 103 GLY CA C 45.220 0.10 1 1038 103 103 GLY N N 102.533 0.10 1 1039 104 104 ARG H H 7.700 0.02 1 1040 104 104 ARG HA H 4.955 0.02 1 1041 104 104 ARG HB2 H 1.925 0.02 2 1042 104 104 ARG HB3 H 1.865 0.02 2 1043 104 104 ARG HG2 H 1.512 0.02 2 1044 104 104 ARG HG3 H 1.667 0.02 2 1045 104 104 ARG HD2 H 3.117 0.02 2 1046 104 104 ARG HD3 H 3.116 0.02 2 1047 104 104 ARG HE H 6.916 0.02 1 1048 104 104 ARG HH11 H 6.535 0.02 1 1049 104 104 ARG HH12 H 6.652 0.02 1 1050 104 104 ARG CA C 53.163 0.10 1 1051 104 104 ARG CB C 31.679 0.10 1 1052 104 104 ARG CG C 26.687 0.10 1 1053 104 104 ARG CD C 42.899 0.10 1 1054 104 104 ARG N N 120.918 0.10 1 1055 104 104 ARG NE N 84.600 0.10 1 1056 105 105 PRO HA H 4.345 0.02 1 1057 105 105 PRO HB2 H 1.865 0.02 2 1058 105 105 PRO HB3 H 2.028 0.02 2 1059 105 105 PRO HG2 H 2.203 0.02 2 1060 105 105 PRO HG3 H 2.210 0.02 2 1061 105 105 PRO HD2 H 3.706 0.02 2 1062 105 105 PRO HD3 H 3.965 0.02 2 1063 105 105 PRO C C 176.507 0.10 1 1064 105 105 PRO CA C 61.901 0.10 1 1065 105 105 PRO CB C 31.561 0.10 1 1066 105 105 PRO CG C 27.670 0.10 1 1067 105 105 PRO CD C 51.178 0.10 1 1068 106 106 MET H H 8.390 0.02 1 1069 106 106 MET HA H 4.424 0.02 1 1070 106 106 MET HB2 H 2.339 0.02 2 1071 106 106 MET HB3 H 2.341 0.02 2 1072 106 106 MET HG2 H 2.617 0.02 2 1073 106 106 MET HG3 H 2.509 0.02 2 1074 106 106 MET HE H 1.998 0.02 1 1075 106 106 MET C C 175.592 0.10 1 1076 106 106 MET CA C 57.193 0.10 1 1077 106 106 MET CB C 33.856 0.10 1 1078 106 106 MET CG C 31.810 0.10 1 1079 106 106 MET CE C 16.689 0.10 1 1080 106 106 MET N N 127.846 0.10 1 1081 107 107 ASP H H 8.221 0.02 1 1082 107 107 ASP HA H 5.235 0.02 1 1083 107 107 ASP HB2 H 2.544 0.02 2 1084 107 107 ASP HB3 H 2.792 0.02 2 1085 107 107 ASP C C 175.450 0.10 1 1086 107 107 ASP CA C 53.075 0.10 1 1087 107 107 ASP CB C 42.551 0.10 1 1088 107 107 ASP N N 127.228 0.10 1 1089 108 108 ILE H H 7.725 0.02 1 1090 108 108 ILE HA H 4.995 0.02 1 1091 108 108 ILE HB H 1.528 0.02 1 1092 108 108 ILE HG12 H 1.318 0.02 2 1093 108 108 ILE HG13 H 1.308 0.02 2 1094 108 108 ILE HG2 H 0.901 0.02 1 1095 108 108 ILE HD1 H 1.129 0.02 1 1096 108 108 ILE C C 173.626 0.10 1 1097 108 108 ILE CA C 61.033 0.10 1 1098 108 108 ILE CB C 43.209 0.10 1 1099 108 108 ILE CG1 C 28.607 0.10 1 1100 108 108 ILE CG2 C 20.324 0.10 1 1101 108 108 ILE CD1 C 14.792 0.10 1 1102 108 108 ILE N N 120.908 0.10 1 1103 109 109 GLN H H 8.639 0.02 1 1104 109 109 GLN HA H 4.762 0.02 1 1105 109 109 GLN HB2 H 1.842 0.02 2 1106 109 109 GLN HB3 H 2.116 0.02 2 1107 109 109 GLN HG2 H 2.324 0.02 2 1108 109 109 GLN HG3 H 2.322 0.02 2 1109 109 109 GLN HE21 H 7.816 0.02 1 1110 109 109 GLN HE22 H 6.790 0.02 1 1111 109 109 GLN C C 173.848 0.10 1 1112 109 109 GLN CA C 53.767 0.10 1 1113 109 109 GLN CB C 32.980 0.10 1 1114 109 109 GLN CG C 33.539 0.10 1 1115 109 109 GLN N N 124.222 0.10 1 1116 109 109 GLN NE2 N 112.761 0.10 1 1117 110 110 LEU H H 8.657 0.02 1 1118 110 110 LEU HA H 4.809 0.02 1 1119 110 110 LEU HB2 H 1.697 0.02 2 1120 110 110 LEU HB3 H 1.416 0.02 2 1121 110 110 LEU HG H 1.444 0.02 1 1122 110 110 LEU HD1 H 0.819 0.02 2 1123 110 110 LEU HD2 H 0.811 0.02 2 1124 110 110 LEU C C 176.656 0.10 1 1125 110 110 LEU CA C 55.013 0.10 1 1126 110 110 LEU CB C 43.242 0.10 1 1127 110 110 LEU CG C 29.044 0.10 1 1128 110 110 LEU CD1 C 24.653 0.10 1 1129 110 110 LEU N N 125.824 0.10 1 1130 111 111 VAL H H 8.699 0.02 1 1131 111 111 VAL HA H 4.145 0.02 1 1132 111 111 VAL HB H 1.966 0.02 1 1133 111 111 VAL HG1 H 0.916 0.02 2 1134 111 111 VAL HG2 H 0.847 0.02 2 1135 111 111 VAL C C 175.136 0.10 1 1136 111 111 VAL CA C 62.138 0.10 1 1137 111 111 VAL CB C 33.145 0.10 1 1138 111 111 VAL CG1 C 21.411 0.10 1 1139 111 111 VAL CG2 C 21.315 0.10 1 1140 111 111 VAL N N 126.799 0.10 1 1141 112 112 ALA H H 8.532 0.02 1 1142 112 112 ALA HA H 4.448 0.02 1 1143 112 112 ALA HB H 1.428 0.02 1 1144 112 112 ALA C C 177.205 0.10 1 1145 112 112 ALA CA C 52.201 0.10 1 1146 112 112 ALA CB C 19.614 0.10 1 1147 112 112 ALA N N 128.854 0.10 1 1148 113 113 SER H H 8.388 0.02 1 1149 113 113 SER HA H 4.445 0.02 1 1150 113 113 SER HB2 H 3.872 0.02 1 1151 113 113 SER HB3 H 3.872 0.02 1 1152 113 113 SER C C 174.348 0.10 1 1153 113 113 SER CA C 58.355 0.10 1 1154 113 113 SER CB C 64.076 0.10 1 1155 113 113 SER N N 115.662 0.10 1 1156 114 114 GLN H H 8.542 0.02 1 1157 114 114 GLN HA H 4.380 0.02 1 1158 114 114 GLN HB2 H 2.025 0.02 2 1159 114 114 GLN HB3 H 2.125 0.02 2 1160 114 114 GLN HG2 H 2.377 0.02 1 1161 114 114 GLN HG3 H 2.377 0.02 1 1162 114 114 GLN HE21 H 6.875 0.02 1 1163 114 114 GLN HE22 H 7.617 0.02 1 1164 114 114 GLN C C 175.970 0.10 1 1165 114 114 GLN CA C 56.292 0.10 1 1166 114 114 GLN CB C 29.410 0.10 1 1167 114 114 GLN CG C 34.088 0.10 1 1168 114 114 GLN N N 122.187 0.10 1 1169 114 114 GLN NE2 N 112.336 0.10 1 1170 115 115 ILE H H 8.124 0.02 1 1171 115 115 ILE HA H 4.139 0.02 1 1172 115 115 ILE HB H 1.838 0.02 1 1173 115 115 ILE HG12 H 1.455 0.02 2 1174 115 115 ILE HG13 H 1.173 0.02 2 1175 115 115 ILE HG2 H 0.882 0.02 1 1176 115 115 ILE HD1 H 0.851 0.02 1 1177 115 115 ILE C C 175.707 0.10 1 1178 115 115 ILE CA C 61.425 0.10 1 1179 115 115 ILE CB C 38.991 0.10 1 1180 115 115 ILE CG1 C 27.553 0.10 1 1181 115 115 ILE CG2 C 17.407 0.10 1 1182 115 115 ILE CD1 C 13.039 0.10 1 1183 115 115 ILE N N 121.071 0.10 1 1184 116 116 ASP H H 8.322 0.02 1 1185 116 116 ASP HA H 4.655 0.02 1 1186 116 116 ASP HB2 H 2.774 0.02 2 1187 116 116 ASP HB3 H 2.676 0.02 2 1188 116 116 ASP C C 176.411 0.10 1 1189 116 116 ASP CA C 54.308 0.10 1 1190 116 116 ASP CB C 41.403 0.10 1 1191 116 116 ASP N N 123.702 0.10 1 1192 117 117 LEU H H 8.215 0.02 1 1193 117 117 LEU HA H 4.231 0.02 1 1194 117 117 LEU HB2 H 1.648 0.02 2 1195 117 117 LEU HB3 H 1.603 0.02 2 1196 117 117 LEU HG H 1.632 0.02 1 1197 117 117 LEU HD1 H 0.847 0.02 2 1198 117 117 LEU HD2 H 0.914 0.02 2 1199 117 117 LEU C C 177.789 0.10 1 1200 117 117 LEU CA C 55.643 0.10 1 1201 117 117 LEU CB C 42.266 0.10 1 1202 117 117 LEU CG C 27.153 0.10 1 1203 117 117 LEU CD1 C 23.179 0.10 1 1204 117 117 LEU CD2 C 25.061 0.10 1 1205 117 117 LEU N N 122.794 0.10 1 1206 118 118 GLU H H 8.223 0.02 1 1207 118 118 GLU HA H 4.152 0.02 1 1208 118 118 GLU HB2 H 1.913 0.02 2 1209 118 118 GLU HB3 H 1.906 0.02 2 1210 118 118 GLU HG2 H 2.239 0.02 2 1211 118 118 GLU HG3 H 2.153 0.02 2 1212 118 118 GLU C C 176.513 0.10 1 1213 118 118 GLU CB C 30.265 0.10 1 1214 118 118 GLU CG C 36.191 0.10 1 1215 118 118 GLU N N 119.436 0.10 1 1216 119 119 HIS H H 8.188 0.02 1 1217 119 119 HIS HA H 4.630 0.02 1 1218 119 119 HIS HB2 H 3.153 0.02 2 1219 119 119 HIS HB3 H 3.064 0.02 2 1220 119 119 HIS N N 117.952 0.10 1 1221 120 120 HIS C C 173.715 0.10 1 1222 121 121 HIS H H 8.303 0.02 1 1223 121 121 HIS HA H 4.494 0.02 1 1224 121 121 HIS HB2 H 3.225 0.02 2 1225 121 121 HIS HB3 H 3.144 0.02 2 1226 121 121 HIS N N 125.227 0.10 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/2yka/ebi/ref_3.bmrb.csh' loop_ _Experiment_label HSQC HNCA CBCA(CO)NH HNCACB HNCO HN(CA)CO TOCSY-HSQC HBHA(CO)NH HCCH-TOCSY CCH-TOCSY NOESY-HSQC 'Filtered 13C-NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name '52 KDA IMMEDIATE-EARLY PHOSPHOPROTEIN' _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 GLY HA2 H 4.021 0.02 2 2 1 1 GLY HA3 H 4.023 0.02 2 3 1 1 GLY CA C 43.407 0.10 1 4 2 2 PRO HA H 4.510 0.02 1 5 2 2 PRO HB2 H 2.350 0.02 2 6 2 2 PRO HB3 H 1.987 0.02 2 7 2 2 PRO HG2 H 2.048 0.02 2 8 2 2 PRO HG3 H 2.046 0.02 2 9 2 2 PRO HD2 H 3.607 0.02 1 10 2 2 PRO HD3 H 3.607 0.02 1 11 2 2 PRO C C 177.014 0.10 1 12 2 2 PRO CA C 63.126 0.10 1 13 2 2 PRO CB C 32.341 0.10 1 14 2 2 PRO CG C 27.124 0.10 1 15 2 2 PRO CD C 49.651 0.10 1 16 3 3 LEU H H 8.554 0.02 1 17 3 3 LEU HA H 4.387 0.02 1 18 3 3 LEU HB2 H 1.716 0.02 2 19 3 3 LEU HB3 H 1.674 0.02 2 20 3 3 LEU HG H 1.509 0.02 1 21 3 3 LEU HD1 H 0.973 0.02 2 22 3 3 LEU HD2 H 0.931 0.02 2 23 3 3 LEU CA C 55.521 0.10 1 24 3 3 LEU CB C 42.308 0.10 1 25 3 3 LEU CD1 C 24.332 0.10 1 26 3 3 LEU CD2 C 23.574 0.10 1 27 3 3 LEU N N 122.375 0.10 1 28 4 4 GLY HA2 H 4.043 0.02 2 29 4 4 GLY HA3 H 4.029 0.02 2 30 4 4 GLY CA C 45.392 0.10 1 31 5 5 SER HB2 H 3.908 0.02 2 32 5 5 SER HB3 H 3.933 0.02 2 33 6 6 SER HA H 4.548 0.02 1 34 6 6 SER HB2 H 3.958 0.02 2 35 6 6 SER HB3 H 3.926 0.02 2 36 6 6 SER C C 174.389 0.10 1 37 6 6 SER CA C 58.539 0.10 1 38 6 6 SER CB C 63.917 0.10 1 39 7 7 CYS H H 8.376 0.02 1 40 7 7 CYS HA H 4.561 0.02 1 41 7 7 CYS HB2 H 2.976 0.02 2 42 7 7 CYS HB3 H 2.983 0.02 2 43 7 7 CYS CA C 58.539 0.10 1 44 7 7 CYS CB C 28.071 0.10 1 45 7 7 CYS N N 120.862 0.10 1 46 8 8 LYS HG3 H 1.467 0.02 1 47 8 8 LYS HD2 H 1.703 0.02 1 48 8 8 LYS HD3 H 1.703 0.02 1 49 8 8 LYS HE2 H 3.031 0.02 2 50 8 8 LYS HE3 H 2.986 0.02 2 51 8 8 LYS CD C 28.851 0.10 1 52 8 8 LYS CE C 42.195 0.10 1 53 9 9 THR HB H 4.141 0.02 1 54 9 9 THR CA C 61.678 0.10 1 55 9 9 THR CB C 70.105 0.10 1 56 9 9 THR CG2 C 22.235 0.10 1 57 10 10 SER CB C 65.167 0.10 1 58 11 11 TRP HA H 4.551 0.02 1 59 11 11 TRP HB2 H 3.008 0.02 2 60 11 11 TRP HB3 H 3.348 0.02 2 61 11 11 TRP HD1 H 7.167 0.02 1 62 11 11 TRP HE1 H 9.974 0.02 1 63 11 11 TRP HE3 H 7.490 0.02 1 64 11 11 TRP HZ2 H 7.221 0.02 1 65 11 11 TRP HZ3 H 7.272 0.02 1 66 11 11 TRP HH2 H 6.720 0.02 1 67 11 11 TRP CA C 57.620 0.10 1 68 11 11 TRP CB C 28.221 0.10 1 69 11 11 TRP CD1 C 127.535 0.10 1 70 11 11 TRP CZ2 C 115.581 0.10 1 71 11 11 TRP CZ3 C 120.450 0.10 1 72 11 11 TRP CH2 C 123.041 0.10 1 73 11 11 TRP NE1 N 130.799 0.10 1 74 12 12 ALA HB H 1.361 0.02 1 75 13 13 ASP C C 179.357 0.10 1 76 14 14 ARG H H 8.110 0.02 1 77 14 14 ARG HE H 7.045 0.02 1 78 14 14 ARG HH11 H 6.880 0.02 1 79 14 14 ARG HH21 H 6.805 0.02 1 80 14 14 ARG N N 121.907 0.10 1 81 14 14 ARG NE N 84.330 0.10 1 82 15 15 VAL HB H 1.375 0.02 1 83 15 15 VAL HG1 H -0.411 0.02 2 84 15 15 VAL HG2 H 0.275 0.02 2 85 15 15 VAL CG1 C 21.452 0.10 1 86 15 15 VAL CG2 C 22.566 0.10 1 87 16 16 ARG HE H 7.383 0.02 1 88 16 16 ARG HH11 H 6.492 0.02 1 89 16 16 ARG HH12 H 6.575 0.02 1 90 16 16 ARG HH21 H 6.806 0.02 1 91 16 16 ARG HH22 H 6.883 0.02 1 92 16 16 ARG NE N 86.223 0.10 1 93 17 17 GLU HG2 H 2.364 0.02 2 94 17 17 GLU HG3 H 2.214 0.02 2 95 17 17 GLU CG C 36.095 0.10 1 96 18 18 ALA HB H 1.481 0.02 1 97 19 19 ALA HB H 1.661 0.02 1 98 19 19 ALA CB C 18.899 0.10 1 99 20 20 ALA HB H 1.553 0.02 1 100 21 21 GLN HG2 H 2.525 0.02 2 101 21 21 GLN HG3 H 2.560 0.02 2 102 21 21 GLN HE21 H 7.540 0.02 1 103 21 21 GLN HE22 H 6.864 0.02 1 104 21 21 GLN NE2 N 112.181 0.10 1 105 22 22 ARG HG2 H 1.789 0.02 2 106 22 22 ARG HG3 H 1.815 0.02 2 107 22 22 ARG HD3 H 3.222 0.02 1 108 22 22 ARG HE H 7.452 0.02 1 109 22 22 ARG CG C 26.939 0.10 1 110 22 22 ARG CD C 44.153 0.10 1 111 22 22 ARG NE N 84.454 0.10 1 112 23 23 ARG HG2 H 1.671 0.02 2 113 23 23 ARG HG3 H 1.676 0.02 2 114 23 23 ARG HD2 H 3.243 0.02 2 115 23 23 ARG HD3 H 3.257 0.02 2 116 23 23 ARG HE H 7.242 0.02 1 117 23 23 ARG CG C 27.591 0.10 1 118 23 23 ARG CD C 43.332 0.10 1 119 23 23 ARG NE N 85.281 0.10 1 1 3 3 SER C C 178.015 0.10 1 2 4 4 MET H H 8.446 0.02 1 3 4 4 MET C C 174.326 0.10 1 4 4 4 MET N N 109.953 0.10 1 5 5 5 THR H H 8.267 0.02 1 6 5 5 THR HA H 4.546 0.02 1 7 5 5 THR C C 174.792 0.10 1 8 5 5 THR CA C 58.479 0.10 1 9 5 5 THR CB C 63.905 0.10 1 10 5 5 THR N N 115.540 0.10 1 11 6 6 GLY H H 8.471 0.02 1 12 6 6 GLY N N 117.634 0.10 1 13 7 7 GLY C C 174.408 0.10 1 14 8 8 GLN H H 8.495 0.02 1 15 8 8 GLN HA H 4.451 0.02 1 16 8 8 GLN HB2 H 1.798 0.02 2 17 8 8 GLN HB3 H 1.881 0.02 2 18 8 8 GLN HG2 H 1.463 0.02 1 19 8 8 GLN C C 176.334 0.10 1 20 8 8 GLN CA C 56.269 0.10 1 21 8 8 GLN CB C 33.027 0.10 1 22 8 8 GLN CG C 24.645 0.10 1 23 8 8 GLN N N 123.996 0.10 1 24 9 9 GLN H H 8.197 0.02 1 25 9 9 GLN HA H 4.459 0.02 1 26 9 9 GLN HG2 H 1.304 0.02 1 27 9 9 GLN N N 116.666 0.10 1 28 10 10 MET H H 9.637 0.02 1 29 10 10 MET HA H 4.543 0.02 1 30 10 10 MET HB2 H 4.580 0.02 2 31 10 10 MET HB3 H 4.105 0.02 2 32 10 10 MET C C 174.228 0.10 1 33 10 10 MET CA C 57.783 0.10 1 34 10 10 MET N N 117.098 0.10 1 35 11 11 GLY H H 9.194 0.02 1 36 11 11 GLY C C 174.469 0.10 1 37 11 11 GLY N N 124.633 0.10 1 38 12 12 ARG H H 9.139 0.02 1 39 12 12 ARG HA H 3.983 0.02 1 40 12 12 ARG C C 179.301 0.10 1 41 12 12 ARG CB C 17.736 0.10 1 42 12 12 ARG N N 122.622 0.10 1 43 13 13 ASP H H 7.743 0.02 1 44 13 13 ASP HA H 4.386 0.02 1 45 13 13 ASP HB2 H 2.888 0.02 2 46 13 13 ASP HB3 H 2.555 0.02 2 47 13 13 ASP CA C 57.323 0.10 1 48 13 13 ASP CB C 40.160 0.10 1 49 13 13 ASP N N 116.437 0.10 1 50 14 14 PRO HA H 3.992 0.02 1 51 14 14 PRO HB2 H 1.811 0.02 2 52 14 14 PRO HB3 H 1.925 0.02 2 53 14 14 PRO HG2 H 1.478 0.02 2 54 14 14 PRO HG3 H 1.884 0.02 2 55 14 14 PRO HD2 H 3.238 0.02 2 56 14 14 PRO HD3 H 3.176 0.02 2 57 14 14 PRO C C 179.791 0.10 1 58 14 14 PRO CA C 59.824 0.10 1 59 14 14 PRO CB C 29.026 0.10 1 60 14 14 PRO CG C 28.294 0.10 1 61 14 14 PRO CD C 43.822 0.10 1 62 15 15 ASP H H 8.233 0.02 1 63 15 15 ASP HA H 3.209 0.02 1 64 15 15 ASP C C 177.905 0.10 1 65 15 15 ASP CA C 66.711 0.10 1 66 15 15 ASP CB C 30.350 0.10 1 67 15 15 ASP N N 123.264 0.10 1 68 16 16 LYS H H 8.234 0.02 1 69 16 16 LYS HA H 4.017 0.02 1 70 16 16 LYS HB2 H 1.829 0.02 2 71 16 16 LYS HB3 H 1.918 0.02 2 72 16 16 LYS HG2 H 1.769 0.02 2 73 16 16 LYS HG3 H 1.727 0.02 2 74 16 16 LYS HD2 H 3.255 0.02 2 75 16 16 LYS HD3 H 3.166 0.02 2 76 16 16 LYS C C 179.871 0.10 1 77 16 16 LYS CA C 60.635 0.10 1 78 16 16 LYS CB C 30.339 0.10 1 79 16 16 LYS CG C 27.895 0.10 1 80 16 16 LYS CD C 43.635 0.10 1 81 16 16 LYS N N 119.465 0.10 1 82 17 17 TRP H H 7.964 0.02 1 83 17 17 TRP HA H 4.099 0.02 1 84 17 17 TRP HB2 H 2.075 0.02 2 85 17 17 TRP HB3 H 2.079 0.02 2 86 17 17 TRP C C 178.405 0.10 1 87 17 17 TRP CA C 59.064 0.10 1 88 17 17 TRP CB C 29.608 0.10 1 89 17 17 TRP N N 119.747 0.10 1 90 18 18 GLN H H 7.958 0.02 1 91 18 18 GLN HA H 4.166 0.02 1 92 18 18 GLN C C 180.738 0.10 1 93 18 18 GLN CA C 54.764 0.10 1 94 18 18 GLN CB C 18.415 0.10 1 95 18 18 GLN N N 122.811 0.10 1 96 19 19 HIS H H 8.623 0.02 1 97 19 19 HIS HA H 4.162 0.02 1 98 19 19 HIS C C 179.019 0.10 1 99 19 19 HIS CA C 54.323 0.10 1 100 19 19 HIS N N 120.271 0.10 1 101 20 20 ASP H H 7.736 0.02 1 102 20 20 ASP HA H 4.278 0.02 1 103 20 20 ASP C C 178.651 0.10 1 104 20 20 ASP CA C 53.674 0.10 1 105 20 20 ASP CB C 18.450 0.10 1 106 20 20 ASP N N 120.162 0.10 1 107 21 21 LEU H H 7.652 0.02 1 108 21 21 LEU HA H 4.321 0.02 1 109 21 21 LEU HB2 H 2.271 0.02 2 110 21 21 LEU HB3 H 2.100 0.02 2 111 21 21 LEU C C 176.106 0.10 1 112 21 21 LEU CA C 56.010 0.10 1 113 21 21 LEU CB C 28.856 0.10 1 114 21 21 LEU CG C 33.727 0.10 1 115 21 21 LEU N N 115.793 0.10 1 116 22 22 PHE H H 7.707 0.02 1 117 22 22 PHE HA H 4.377 0.02 1 118 22 22 PHE HB2 H 1.899 0.02 2 119 22 22 PHE HB3 H 1.995 0.02 2 120 22 22 PHE HD2 H 3.258 0.02 3 121 22 22 PHE C C 175.253 0.10 1 122 22 22 PHE CA C 56.409 0.10 1 123 22 22 PHE CB C 30.567 0.10 1 124 22 22 PHE N N 120.399 0.10 1 125 23 23 ASP H H 7.899 0.02 1 126 23 23 ASP HA H 4.236 0.02 1 127 23 23 ASP HB2 H 1.767 0.02 2 128 23 23 ASP HB3 H 1.910 0.02 2 129 23 23 ASP CA C 57.173 0.10 1 130 23 23 ASP CB C 31.568 0.10 1 131 23 23 ASP N N 127.684 0.10 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/2yka/ebi/orf57_3.bmrb.csh' _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'RNA AND EXPORT FACTOR-BINDING PROTEIN 2' _Text_data_format . _Text_data . save_