data_7194 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Transcription Factor IIIA zinc fingers 4-6 bound to 5S rRNA 55mer ; _BMRB_accession_number 7194 _BMRB_flat_file_name bmr7194.str _Entry_type original _Submission_date 2006-06-27 _Accession_date 2006-06-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Brian M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 525 "13C chemical shifts" 297 "15N chemical shifts" 97 "residual dipolar couplings" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-08-12 original author . stop_ _Original_release_date 2006-08-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title "Induced Fit and 'Lock and Key' Recognition of 5 S RNA by Zinc Fingers of Transcription Factor IIIA" _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16405997 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Brian M. . 2 Xu Jing . . 3 Clarkson Bryan K. . 4 Martinez-Yamout Maria A. . 5 Dyson H. Jane . 6 Case Dave A. . 7 Gottesfeld Joel M. . 8 Wright Peter E. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 357 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 275 _Page_last 291 _Year 2006 _Details . loop_ _Keyword 'zinc finger' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TFIIIA zf46 & 5S rRNA complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '5S rRNA' $5S_rRNA_55mer 'TFIIIA zf46' $TFIIIA_zf46 'ZINC (II) ION, 1' $ZN 'ZINC (II) ION, 2' $ZN 'ZINC (II) ION, 3' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein-RNA complex' _System_paramagnetic no _System_thiol_state 'free and other bound' loop_ _Biological_function 'storage particle' 'transcription factor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_5S_rRNA_55mer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common '5S rRNA 55mer' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; GGGCCACACCUCUUGGGCCU GGUUAGUACCUGUUCGCUGG GAAUACCAGGUGCCC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 G 2 2 G 3 3 G 4 4 C 5 5 C 6 6 A 7 7 C 8 8 A 9 9 C 10 10 C 11 11 U 12 12 C 13 13 U 14 14 U 15 15 G 16 16 G 17 17 G 18 18 C 19 19 C 20 20 U 21 21 G 22 22 G 23 23 U 24 24 U 25 25 A 26 26 G 27 27 U 28 28 A 29 29 C 30 30 C 31 31 U 32 32 G 33 33 U 34 34 U 35 35 C 36 36 G 37 37 C 38 38 U 39 39 G 40 40 G 41 41 G 42 42 A 43 43 A 44 44 U 45 45 A 46 46 C 47 47 C 48 48 A 49 49 G 50 50 G 51 51 U 52 52 G 53 53 C 54 54 C 55 55 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_TFIIIA_zf46 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'TFIIIA zf46' _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details ; MYVCHFENCG KAFKKHNQLK VHQFSHTQQL PYECPHEGCD KRFSLPSRLK RHEKVHAGYP CKKDDSCSFV GKTWTLYLKH VAECHQD ; _Residue_count 87 _Mol_residue_sequence ; MYVCHFENCGKAFKKHNQLK VHQFSHTQQLPYECPHEGCD KRFSLPSRLKRHEKVHAGYP CKKDDSCSFVGKTWTLYLKH VAECHQD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 TYR 3 3 VAL 4 4 CYS 5 5 HIS 6 6 PHE 7 7 GLU 8 8 ASN 9 9 CYS 10 10 GLY 11 11 LYS 12 12 ALA 13 13 PHE 14 14 LYS 15 15 LYS 16 16 HIS 17 17 ASN 18 18 GLN 19 19 LEU 20 20 LYS 21 21 VAL 22 22 HIS 23 23 GLN 24 24 PHE 25 25 SER 26 26 HIS 27 27 THR 28 28 GLN 29 29 GLN 30 30 LEU 31 31 PRO 32 32 TYR 33 33 GLU 34 34 CYS 35 35 PRO 36 36 HIS 37 37 GLU 38 38 GLY 39 39 CYS 40 40 ASP 41 41 LYS 42 42 ARG 43 43 PHE 44 44 SER 45 45 LEU 46 46 PRO 47 47 SER 48 48 ARG 49 49 LEU 50 50 LYS 51 51 ARG 52 52 HIS 53 53 GLU 54 54 LYS 55 55 VAL 56 56 HIS 57 57 ALA 58 58 GLY 59 59 TYR 60 60 PRO 61 61 CYS 62 62 LYS 63 63 LYS 64 64 ASP 65 65 ASP 66 66 SER 67 67 CYS 68 68 SER 69 69 PHE 70 70 VAL 71 71 GLY 72 72 LYS 73 73 THR 74 74 TRP 75 75 THR 76 76 LEU 77 77 TYR 78 78 LEU 79 79 LYS 80 80 HIS 81 81 VAL 82 82 ALA 83 83 GLU 84 84 CYS 85 85 HIS 86 86 GLN 87 87 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 17:11:16 2012 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Cell_type $5S_rRNA_55mer 'African clawed frog' 8355 Eukaryota Metazoa Xenopus laevis oocytes $TFIIIA_zf46 'African clawed frog' 8355 Eukaryota Metazoa Xenopus laevis . 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 $5S_rRNA_55mer 'enzymatic semisynthesis' . . . . . $TFIIIA_zf46 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $5S_rRNA_55mer . mM 0.6 2.0 . $TFIIIA_zf46 . mM 0.6 2.0 [U-15N] $ZN . mM 1.8 6.0 . KH2PO4 10 mM . . . DTT 20 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $5S_rRNA_55mer . mM 0.6 2.0 . $TFIIIA_zf46 . mM 0.6 2.0 '[U-13; U-15N]' $ZN . mM 1.8 6.0 . KH2PO4 10 mM . . . DTT 20 mM . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $5S_rRNA_55mer . mM 0.6 2.0 . $TFIIIA_zf46 . mM 0.6 2.0 '[U-2H; U-13; U-15N]' $ZN . mM 1.8 6.0 . KH2PO4 10 mM . . . DTT 20 mM . . . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $5S_rRNA_55mer . mM 0.6 2.0 [U-15N] $TFIIIA_zf46 . mM 0.6 2.0 [U-15N] $ZN . mM 1.8 6.0 . KH2PO4 10 mM . . . DTT 20 mM . . . stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $5S_rRNA_55mer . mM 0.6 2.0 [U-15N] $TFIIIA_zf46 . mM 0.6 2.0 . $ZN . mM 1.8 6.0 . KH2PO4 10 mM . . . DTT 20 mM . . . stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $5S_rRNA_55mer . mM 0.6 2.0 '[U-13C; U-15N]' $TFIIIA_zf46 . mM 0.6 2.0 . $ZN . mM 1.8 6.0 . KH2PO4 10 mM . . . DTT 20 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_900MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_750MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details '(3) different magnets were used' save_ save_500MHz_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX-II _Field_strength 500 _Details . save_ save_500MHz_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_(HCA)CO(CA)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label . save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCACO _Sample_label . save_ save_13C-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label . save_ save_(H)C(CO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _Sample_label . save_ save_(H)CCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCH-COSY _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_(HB)CB(CGCD)HD_10 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCD)HD _Sample_label . save_ save_TROSY_based_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY based HNCO' _Sample_label . save_ save_TROSY_based_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY based HNCA' _Sample_label . save_ save_TROSY_based_HN(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY based HN(CA)CO' _Sample_label . save_ save_3D_15N_NOESY_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY HSQC' _Sample_label . save_ save_3D_shared-time_15N/13C_NOESY_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D shared-time 15N/13C NOESY HSQC' _Sample_label . save_ save_3D_13C_HMQC-NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C HMQC-NOESY' _Sample_label . save_ save_15N_HMQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HMQC' _Sample_label . save_ save_water_flip-back_2D_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name 'water flip-back 2D NOESY' _Sample_label . save_ save_TROSY_based_HNN-COSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name 'TROSY based HNN-COSY' _Sample_label . save_ save_13C_HMQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HMQC' _Sample_label . save_ save_2JHN_15N_HMQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2JHN 15N HMQC' _Sample_label . save_ save_3D_13C_HMQC_NOESY_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C HMQC NOESY' _Sample_label . save_ save_2D_double_half_filtered_NOESY_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D double half filtered NOESY' _Sample_label . save_ save_3D_13C_edit/filter_NOESY_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C edit/filter NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 1 mM pH 6.5 0.1 pH temperature 291 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N NOESY HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'TFIIIA zf46' _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 MET HA H 4.252 . 1 2 1 1 MET HB2 H 1.971 . 1 3 1 1 MET HB3 H 1.971 . 1 4 1 1 MET HG2 H 2.623 . 2 5 1 1 MET HG3 H 2.528 . 2 6 1 1 MET HE H 1.887 . 1 7 1 1 MET CA C 53.980 . 1 8 1 1 MET CB C 33.481 . 1 9 1 1 MET CG C 31.440 . 1 10 1 1 MET CE C 16.643 . 1 11 2 2 TYR H H 9.289 . 1 12 2 2 TYR HA H 4.719 . 1 13 2 2 TYR HB2 H 3.161 . 2 14 2 2 TYR HB3 H 2.831 . 2 15 2 2 TYR HD1 H 7.212 . 3 16 2 2 TYR HE1 H 7.231 . 3 17 2 2 TYR CA C 57.714 . 1 18 2 2 TYR CB C 39.260 . 1 19 2 2 TYR CD1 C 134.217 . 3 20 2 2 TYR CE1 C 118.746 . 3 21 2 2 TYR N N 121.533 . 1 22 3 3 VAL H H 8.725 . 1 23 3 3 VAL HA H 4.534 . 1 24 3 3 VAL HB H 1.763 . 1 25 3 3 VAL HG1 H 0.826 . 2 26 3 3 VAL HG2 H 0.597 . 2 27 3 3 VAL CA C 61.469 . 1 28 3 3 VAL CB C 34.346 . 1 29 3 3 VAL CG1 C 21.404 . 2 30 3 3 VAL CG2 C 20.542 . 2 31 3 3 VAL N N 125.566 . 1 32 4 4 CYS H H 9.056 . 1 33 4 4 CYS HA H 4.402 . 1 34 4 4 CYS HB2 H 3.443 . 2 35 4 4 CYS HB3 H 2.925 . 2 36 4 4 CYS CA C 60.419 . 1 37 4 4 CYS CB C 30.493 . 1 38 4 4 CYS N N 128.189 . 1 39 5 5 HIS H H 9.164 . 1 40 5 5 HIS HA H 4.994 . 1 41 5 5 HIS HB2 H 3.534 . 2 42 5 5 HIS HB3 H 3.148 . 2 43 5 5 HIS HD2 H 7.351 . 1 44 5 5 HIS HE1 H 8.551 . 1 45 5 5 HIS CA C 55.236 . 1 46 5 5 HIS CB C 29.013 . 1 47 5 5 HIS CD2 C 120.074 . 1 48 5 5 HIS CE1 C 136.289 . 1 49 5 5 HIS N N 126.963 . 1 50 6 6 PHE H H 8.750 . 1 51 6 6 PHE HA H 4.093 . 1 52 6 6 PHE HB2 H 2.650 . 2 53 6 6 PHE HB3 H 2.356 . 2 54 6 6 PHE HD1 H 7.030 . 3 55 6 6 PHE HE1 H 7.295 . 3 56 6 6 PHE HZ H 7.287 . 1 57 6 6 PHE CA C 59.983 . 1 58 6 6 PHE CB C 38.936 . 1 59 6 6 PHE CD1 C 132.091 . 3 60 6 6 PHE CE1 C 131.033 . 3 61 6 6 PHE CZ C 130.207 . 1 62 6 6 PHE N N 125.445 . 1 63 7 7 GLU H H 8.455 . 1 64 7 7 GLU HA H 3.787 . 1 65 7 7 GLU HB2 H 1.823 . 1 66 7 7 GLU HB3 H 1.823 . 1 67 7 7 GLU HG2 H 2.044 . 1 68 7 7 GLU HG3 H 2.044 . 1 69 7 7 GLU CA C 57.751 . 1 70 7 7 GLU CB C 28.865 . 1 71 7 7 GLU CG C 35.841 . 1 72 7 7 GLU N N 127.295 . 1 73 8 8 ASN H H 8.788 . 1 74 8 8 ASN HA H 4.383 . 1 75 8 8 ASN HB2 H 3.117 . 2 76 8 8 ASN HB3 H 2.937 . 2 77 8 8 ASN HD21 H 7.706 . 2 78 8 8 ASN HD22 H 6.991 . 2 79 8 8 ASN CA C 54.270 . 1 80 8 8 ASN CB C 37.564 . 1 81 8 8 ASN N N 116.400 . 1 82 8 8 ASN ND2 N 114.063 . 1 83 9 9 CYS H H 7.984 . 1 84 9 9 CYS HA H 4.588 . 1 85 9 9 CYS HB2 H 3.131 . 2 86 9 9 CYS HB3 H 3.044 . 2 87 9 9 CYS CA C 61.236 . 1 88 9 9 CYS CB C 29.257 . 1 89 9 9 CYS N N 121.236 . 1 90 10 10 GLY H H 8.144 . 1 91 10 10 GLY HA2 H 4.032 . 2 92 10 10 GLY HA3 H 3.868 . 2 93 10 10 GLY CA C 45.887 . 1 94 10 10 GLY N N 105.400 . 1 95 11 11 LYS H H 8.132 . 1 96 11 11 LYS HA H 3.907 . 1 97 11 11 LYS HB2 H 1.408 . 2 98 11 11 LYS HB3 H 1.274 . 2 99 11 11 LYS HG2 H 1.472 . 2 100 11 11 LYS HG3 H 1.281 . 2 101 11 11 LYS HD2 H 1.479 . 1 102 11 11 LYS HD3 H 1.479 . 1 103 11 11 LYS HE2 H 3.010 . 1 104 11 11 LYS HE3 H 3.010 . 1 105 11 11 LYS CA C 57.884 . 1 106 11 11 LYS CB C 33.305 . 1 107 11 11 LYS CG C 26.309 . 1 108 11 11 LYS CD C 28.856 . 1 109 11 11 LYS CE C 42.304 . 1 110 11 11 LYS N N 122.606 . 1 111 12 12 ALA H H 7.747 . 1 112 12 12 ALA HA H 5.128 . 1 113 12 12 ALA HB H 1.175 . 1 114 12 12 ALA CA C 49.875 . 1 115 12 12 ALA CB C 22.847 . 1 116 12 12 ALA N N 122.453 . 1 117 13 13 PHE H H 8.961 . 1 118 13 13 PHE HA H 4.731 . 1 119 13 13 PHE HB2 H 3.610 . 2 120 13 13 PHE HB3 H 2.678 . 2 121 13 13 PHE HD1 H 7.230 . 3 122 13 13 PHE HE1 H 6.880 . 3 123 13 13 PHE HZ H 6.241 . 1 124 13 13 PHE CA C 56.827 . 1 125 13 13 PHE CB C 43.422 . 1 126 13 13 PHE CD1 C 132.342 . 3 127 13 13 PHE CE1 C 130.829 . 3 128 13 13 PHE CZ C 128.804 . 1 129 13 13 PHE N N 118.078 . 1 130 14 14 LYS H H 9.189 . 1 131 14 14 LYS HA H 4.447 . 1 132 14 14 LYS HB2 H 1.979 . 1 133 14 14 LYS HB3 H 1.979 . 1 134 14 14 LYS HG2 H 1.610 . 2 135 14 14 LYS HG3 H 1.514 . 2 136 14 14 LYS HD2 H 1.744 . 1 137 14 14 LYS HD3 H 1.744 . 1 138 14 14 LYS HE2 H 3.013 . 1 139 14 14 LYS HE3 H 3.013 . 1 140 14 14 LYS CA C 58.951 . 1 141 14 14 LYS CB C 33.476 . 1 142 14 14 LYS CG C 25.667 . 1 143 14 14 LYS CD C 29.008 . 1 144 14 14 LYS CE C 42.303 . 1 145 14 14 LYS N N 123.335 . 1 146 15 15 LYS H H 7.777 . 1 147 15 15 LYS HA H 5.266 . 1 148 15 15 LYS HB2 H 1.445 . 2 149 15 15 LYS HB3 H 1.314 . 2 150 15 15 LYS HG2 H 1.215 . 2 151 15 15 LYS HG3 H 0.684 . 2 152 15 15 LYS HD2 H 0.871 . 2 153 15 15 LYS HD3 H 0.522 . 2 154 15 15 LYS HE2 H 2.814 . 2 155 15 15 LYS HE3 H 2.609 . 2 156 15 15 LYS CA C 52.174 . 1 157 15 15 LYS CB C 34.396 . 1 158 15 15 LYS CG C 24.281 . 1 159 15 15 LYS CD C 27.170 . 1 160 15 15 LYS CE C 42.642 . 1 161 15 15 LYS N N 113.249 . 1 162 16 16 HIS H H 10.495 . 1 163 16 16 HIS HA H 3.608 . 1 164 16 16 HIS HB2 H 2.935 . 2 165 16 16 HIS HB3 H 2.173 . 2 166 16 16 HIS HD2 H 6.637 . 1 167 16 16 HIS HE1 H 9.110 . 1 168 16 16 HIS CA C 59.098 . 1 169 16 16 HIS CB C 25.784 . 1 170 16 16 HIS CD2 C 121.772 . 1 171 16 16 HIS CE1 C 137.114 . 1 172 16 16 HIS N N 126.541 . 1 173 17 17 ASN H H 8.801 . 1 174 17 17 ASN HA H 4.624 . 1 175 17 17 ASN HB2 H 2.868 . 2 176 17 17 ASN HB3 H 2.752 . 2 177 17 17 ASN HD21 H 7.626 . 2 178 17 17 ASN HD22 H 7.094 . 2 179 17 17 ASN CA C 56.386 . 1 180 17 17 ASN CB C 37.799 . 1 181 17 17 ASN N N 121.678 . 1 182 17 17 ASN ND2 N 114.428 . 1 183 18 18 GLN H H 6.874 . 1 184 18 18 GLN HA H 3.915 . 1 185 18 18 GLN HB2 H 1.953 . 1 186 18 18 GLN HB3 H 1.953 . 1 187 18 18 GLN HG2 H 2.505 . 2 188 18 18 GLN HG3 H 2.334 . 2 189 18 18 GLN HE21 H 7.531 . 2 190 18 18 GLN HE22 H 6.947 . 2 191 18 18 GLN CA C 57.722 . 1 192 18 18 GLN CB C 27.684 . 1 193 18 18 GLN CG C 33.655 . 1 194 18 18 GLN N N 118.895 . 1 195 18 18 GLN NE2 N 111.389 . 1 196 19 19 LEU H H 6.866 . 1 197 19 19 LEU HA H 3.357 . 1 198 19 19 LEU HB2 H 2.139 . 2 199 19 19 LEU HB3 H 1.327 . 2 200 19 19 LEU HG H 1.596 . 1 201 19 19 LEU HD1 H 1.064 . 2 202 19 19 LEU HD2 H 1.162 . 2 203 19 19 LEU CA C 57.594 . 1 204 19 19 LEU CB C 40.094 . 1 205 19 19 LEU CG C 27.218 . 1 206 19 19 LEU CD1 C 26.349 . 2 207 19 19 LEU CD2 C 23.329 . 2 208 19 19 LEU N N 121.287 . 1 209 20 20 LYS H H 7.769 . 1 210 20 20 LYS HA H 3.945 . 1 211 20 20 LYS HD2 H 1.669 . 1 212 20 20 LYS HD3 H 1.669 . 1 213 20 20 LYS HE2 H 2.816 . 2 214 20 20 LYS HE3 H 2.622 . 2 215 20 20 LYS CA C 59.847 . 1 216 20 20 LYS CD C 29.543 . 1 217 20 20 LYS CE C 42.099 . 1 218 20 20 LYS N N 121.284 . 1 219 21 21 VAL H H 7.904 . 1 220 21 21 VAL HA H 3.825 . 1 221 21 21 VAL HB H 2.094 . 1 222 21 21 VAL HG1 H 1.501 . 2 223 21 21 VAL HG2 H 1.146 . 2 224 21 21 VAL CA C 66.385 . 1 225 21 21 VAL CB C 32.653 . 1 226 21 21 VAL CG1 C 23.552 . 2 227 21 21 VAL CG2 C 21.336 . 2 228 21 21 VAL N N 117.342 . 1 229 22 22 HIS H H 7.607 . 1 230 22 22 HIS HA H 4.412 . 1 231 22 22 HIS HB2 H 3.167 . 2 232 22 22 HIS HB3 H 2.919 . 2 233 22 22 HIS HD2 H 7.110 . 1 234 22 22 HIS HE1 H 7.952 . 1 235 22 22 HIS CA C 58.470 . 1 236 22 22 HIS CB C 28.361 . 1 237 22 22 HIS CD2 C 127.767 . 1 238 22 22 HIS CE1 C 139.440 . 1 239 22 22 HIS N N 118.653 . 1 240 23 23 GLN H H 8.522 . 1 241 23 23 GLN HA H 3.645 . 1 242 23 23 GLN HB2 H 2.383 . 2 243 23 23 GLN HB3 H 2.146 . 2 244 23 23 GLN HG2 H 2.909 . 2 245 23 23 GLN HG3 H 2.854 . 2 246 23 23 GLN HE21 H 7.556 . 2 247 23 23 GLN CA C 59.585 . 1 248 23 23 GLN CB C 27.727 . 1 249 23 23 GLN CG C 35.423 . 1 250 23 23 GLN N N 118.973 . 1 251 23 23 GLN NE2 N 114.326 . 1 252 24 24 PHE H H 7.290 . 1 253 24 24 PHE HA H 4.473 . 1 254 24 24 PHE HB2 H 3.289 . 2 255 24 24 PHE HB3 H 3.209 . 2 256 24 24 PHE HD1 H 7.204 . 3 257 24 24 PHE HE1 H 7.210 . 3 258 24 24 PHE HZ H 7.209 . 1 259 24 24 PHE CA C 60.094 . 1 260 24 24 PHE CB C 39.123 . 1 261 24 24 PHE CD1 C 131.729 . 3 262 24 24 PHE CE1 C 131.154 . 3 263 24 24 PHE CZ C 130.300 . 1 264 24 24 PHE N N 118.905 . 1 265 25 25 SER H H 7.868 . 1 266 25 25 SER HA H 4.014 . 1 267 25 25 SER HB2 H 3.795 . 2 268 25 25 SER HB3 H 3.574 . 2 269 25 25 SER CA C 60.966 . 1 270 25 25 SER CB C 62.585 . 1 271 25 25 SER N N 114.002 . 1 272 26 26 HIS H H 7.040 . 1 273 26 26 HIS HA H 4.486 . 1 274 26 26 HIS HB2 H 2.522 . 2 275 26 26 HIS HB3 H 2.050 . 2 276 26 26 HIS HD1 H 12.334 . 1 277 26 26 HIS HD2 H 6.222 . 1 278 26 26 HIS HE1 H 8.031 . 1 279 26 26 HIS CA C 55.722 . 1 280 26 26 HIS CB C 28.858 . 1 281 26 26 HIS CD2 C 127.278 . 1 282 26 26 HIS CE1 C 139.448 . 1 283 26 26 HIS N N 117.133 . 1 284 26 26 HIS ND1 N 169.542 . 1 285 27 27 THR H H 7.806 . 1 286 27 27 THR HA H 4.317 . 1 287 27 27 THR HB H 4.346 . 1 288 27 27 THR HG2 H 1.269 . 1 289 27 27 THR CA C 61.682 . 1 290 27 27 THR CB C 70.194 . 1 291 27 27 THR CG2 C 21.319 . 1 292 27 27 THR N N 108.273 . 1 293 28 28 GLN H H 8.264 . 1 294 28 28 GLN HA H 3.326 . 1 295 28 28 GLN HB2 H 2.168 . 1 296 28 28 GLN HB3 H 2.168 . 1 297 28 28 GLN HG2 H 2.152 . 1 298 28 28 GLN HG3 H 2.152 . 1 299 28 28 GLN HE21 H 7.187 . 2 300 28 28 GLN HE22 H 6.574 . 2 301 28 28 GLN CA C 57.570 . 1 302 28 28 GLN CB C 27.043 . 1 303 28 28 GLN CG C 34.230 . 1 304 28 28 GLN N N 116.023 . 1 305 28 28 GLN NE2 N 112.666 . 1 306 29 29 GLN H H 8.041 . 1 307 29 29 GLN HA H 4.515 . 1 308 29 29 GLN HB2 H 1.890 . 2 309 29 29 GLN HB3 H 1.788 . 2 310 29 29 GLN HG2 H 2.335 . 2 311 29 29 GLN HG3 H 2.268 . 2 312 29 29 GLN HE21 H 7.528 . 2 313 29 29 GLN HE22 H 6.931 . 2 314 29 29 GLN CA C 54.499 . 1 315 29 29 GLN CB C 30.177 . 1 316 29 29 GLN CG C 33.901 . 1 317 29 29 GLN N N 118.621 . 1 318 29 29 GLN NE2 N 112.666 . 1 319 30 30 LEU H H 8.815 . 1 320 30 30 LEU HA H 4.236 . 1 321 30 30 LEU HB2 H 1.557 . 2 322 30 30 LEU HB3 H 0.944 . 2 323 30 30 LEU HG H 1.513 . 1 324 30 30 LEU HD1 H 0.728 . 2 325 30 30 LEU HD2 H 0.490 . 2 326 30 30 LEU CA C 52.255 . 1 327 30 30 LEU CB C 42.139 . 1 328 30 30 LEU CG C 26.195 . 1 329 30 30 LEU CD1 C 25.737 . 2 330 30 30 LEU CD2 C 23.845 . 2 331 30 30 LEU N N 127.361 . 1 332 31 31 PRO HA H 4.183 . 1 333 31 31 PRO HB2 H 1.820 . 2 334 31 31 PRO HB3 H 1.045 . 2 335 31 31 PRO HG2 H 1.462 . 2 336 31 31 PRO HG3 H 1.402 . 2 337 31 31 PRO HD2 H 3.673 . 2 338 31 31 PRO HD3 H 3.625 . 2 339 31 31 PRO CA C 63.874 . 1 340 31 31 PRO CB C 32.445 . 1 341 31 31 PRO CG C 26.573 . 1 342 31 31 PRO CD C 51.210 . 1 343 32 32 TYR H H 7.793 . 1 344 32 32 TYR HA H 4.594 . 1 345 32 32 TYR HB2 H 2.968 . 2 346 32 32 TYR HB3 H 2.743 . 2 347 32 32 TYR HD1 H 6.990 . 3 348 32 32 TYR HE1 H 6.868 . 3 349 32 32 TYR CA C 57.806 . 1 350 32 32 TYR CB C 37.713 . 1 351 32 32 TYR CD1 C 133.037 . 3 352 32 32 TYR CE1 C 117.946 . 3 353 32 32 TYR N N 116.003 . 1 354 33 33 GLU H H 8.606 . 1 355 33 33 GLU HA H 4.666 . 1 356 33 33 GLU HB2 H 1.982 . 2 357 33 33 GLU HB3 H 1.871 . 2 358 33 33 GLU HG2 H 2.206 . 2 359 33 33 GLU HG3 H 2.112 . 2 360 33 33 GLU CA C 54.521 . 1 361 33 33 GLU CB C 31.879 . 1 362 33 33 GLU CG C 35.934 . 1 363 33 33 GLU N N 124.551 . 1 364 34 34 CYS H H 8.521 . 1 365 34 34 CYS HA H 4.779 . 1 366 34 34 CYS HB2 H 3.240 . 2 367 34 34 CYS HB3 H 2.931 . 2 368 34 34 CYS CA C 57.714 . 1 369 34 34 CYS CB C 30.314 . 1 370 34 34 CYS N N 127.729 . 1 371 35 35 PRO HA H 4.716 . 1 372 35 35 PRO HB2 H 2.221 . 2 373 35 35 PRO HB3 H 2.074 . 2 374 35 35 PRO HG2 H 2.160 . 2 375 35 35 PRO HG3 H 1.760 . 2 376 35 35 PRO HD2 H 4.522 . 2 377 35 35 PRO HD3 H 4.059 . 2 378 35 35 PRO CA C 63.350 . 1 379 35 35 PRO CB C 31.935 . 1 380 35 35 PRO CG C 26.501 . 1 381 35 35 PRO CD C 51.937 . 1 382 36 36 HIS H H 8.803 . 1 383 36 36 HIS HA H 4.125 . 1 384 36 36 HIS HB2 H 2.676 . 1 385 36 36 HIS HB3 H 2.676 . 1 386 36 36 HIS HD2 H 6.996 . 1 387 36 36 HIS HE1 H 8.406 . 1 388 36 36 HIS CA C 57.164 . 1 389 36 36 HIS CB C 29.273 . 1 390 36 36 HIS CD2 C 120.133 . 1 391 36 36 HIS CE1 C 136.435 . 1 392 36 36 HIS N N 124.088 . 1 393 37 37 GLU H H 8.671 . 1 394 37 37 GLU HA H 4.044 . 1 395 37 37 GLU HB2 H 1.958 . 2 396 37 37 GLU HB3 H 1.879 . 2 397 37 37 GLU HG2 H 2.245 . 1 398 37 37 GLU HG3 H 2.245 . 1 399 37 37 GLU CA C 57.789 . 1 400 37 37 GLU CB C 29.088 . 1 401 37 37 GLU CG C 35.776 . 1 402 37 37 GLU N N 128.008 . 1 403 38 38 GLY H H 9.095 . 1 404 38 38 GLY HA2 H 4.218 . 2 405 38 38 GLY HA3 H 3.759 . 2 406 38 38 GLY CA C 45.266 . 1 407 38 38 GLY N N 114.726 . 1 408 39 39 CYS H H 7.907 . 1 409 39 39 CYS HA H 4.651 . 1 410 39 39 CYS HB2 H 3.332 . 2 411 39 39 CYS HB3 H 2.763 . 2 412 39 39 CYS CA C 59.480 . 1 413 39 39 CYS CB C 30.690 . 1 414 39 39 CYS N N 123.586 . 1 415 40 40 ASP H H 8.556 . 1 416 40 40 ASP HA H 4.900 . 1 417 40 40 ASP HB2 H 2.827 . 2 418 40 40 ASP HB3 H 2.719 . 2 419 40 40 ASP CA C 53.099 . 1 420 40 40 ASP CB C 41.136 . 1 421 40 40 ASP N N 125.981 . 1 422 41 41 LYS H H 8.128 . 1 423 41 41 LYS HA H 3.949 . 1 424 41 41 LYS HB2 H 1.431 . 2 425 41 41 LYS HB3 H 1.283 . 2 426 41 41 LYS HG2 H 1.479 . 1 427 41 41 LYS HG3 H 1.479 . 1 428 41 41 LYS HD2 H 1.582 . 2 429 41 41 LYS HD3 H 1.482 . 2 430 41 41 LYS HE2 H 3.124 . 1 431 41 41 LYS HE3 H 3.124 . 1 432 41 41 LYS CA C 57.397 . 1 433 41 41 LYS CB C 32.885 . 1 434 41 41 LYS CG C 26.182 . 1 435 41 41 LYS CD C 28.421 . 1 436 41 41 LYS CE C 42.640 . 1 437 41 41 LYS N N 121.324 . 1 438 42 42 ARG H H 7.444 . 1 439 42 42 ARG HA H 5.076 . 1 440 42 42 ARG HB2 H 1.685 . 2 441 42 42 ARG HB3 H 1.355 . 2 442 42 42 ARG HG2 H 1.612 . 1 443 42 42 ARG HG3 H 1.307 . 2 444 42 42 ARG HD2 H 3.320 . 2 445 42 42 ARG HD3 H 3.115 . 2 446 42 42 ARG HE H 7.211 . 1 447 42 42 ARG CA C 54.007 . 1 448 42 42 ARG CB C 34.874 . 1 449 42 42 ARG CG C 27.678 . 1 450 42 42 ARG CD C 43.206 . 1 451 42 42 ARG N N 117.478 . 1 452 42 42 ARG NE N 84.047 . 1 453 43 43 PHE H H 8.706 . 1 454 43 43 PHE HA H 4.916 . 1 455 43 43 PHE HB2 H 3.318 . 2 456 43 43 PHE HB3 H 2.585 . 2 457 43 43 PHE HD1 H 7.131 . 3 458 43 43 PHE HE1 H 7.019 . 3 459 43 43 PHE HZ H 6.356 . 1 460 43 43 PHE CA C 56.864 . 1 461 43 43 PHE CB C 44.714 . 1 462 43 43 PHE CD1 C 132.294 . 3 463 43 43 PHE CE1 C 130.809 . 3 464 43 43 PHE CZ C 130.155 . 1 465 43 43 PHE N N 114.384 . 1 466 44 44 SER H H 9.325 . 1 467 44 44 SER HA H 4.336 . 1 468 44 44 SER HB2 H 3.914 . 2 469 44 44 SER HB3 H 3.673 . 2 470 44 44 SER CA C 59.193 . 1 471 44 44 SER CB C 63.619 . 1 472 44 44 SER N N 114.505 . 1 473 45 45 LEU H H 6.615 . 1 474 45 45 LEU HA H 5.034 . 1 475 45 45 LEU HB2 H 1.699 . 2 476 45 45 LEU HB3 H 1.354 . 2 477 45 45 LEU HG H 1.745 . 1 478 45 45 LEU HD1 H 0.923 . 2 479 45 45 LEU HD2 H 1.080 . 2 480 45 45 LEU CA C 51.663 . 1 481 45 45 LEU CB C 46.779 . 1 482 45 45 LEU CG C 26.676 . 1 483 45 45 LEU CD1 C 25.818 . 2 484 45 45 LEU CD2 C 23.998 . 2 485 45 45 LEU N N 117.548 . 1 486 46 46 PRO HA H 3.467 . 1 487 46 46 PRO HB2 H 2.002 . 2 488 46 46 PRO HB3 H 1.826 . 2 489 46 46 PRO HG2 H 2.018 . 2 490 46 46 PRO HG3 H 1.590 . 2 491 46 46 PRO HD2 H 3.791 . 2 492 46 46 PRO HD3 H 3.368 . 2 493 46 46 PRO CA C 64.423 . 1 494 46 46 PRO CB C 31.114 . 1 495 46 46 PRO CG C 26.688 . 1 496 46 46 PRO CD C 50.174 . 1 497 47 47 SER H H 8.331 . 1 498 47 47 SER HA H 3.999 . 1 499 47 47 SER HB2 H 3.953 . 2 500 47 47 SER HB3 H 3.878 . 2 501 47 47 SER CA C 60.056 . 1 502 47 47 SER CB C 60.966 . 1 503 47 47 SER N N 113.550 . 1 504 48 48 ARG H H 6.603 . 1 505 48 48 ARG HA H 4.037 . 1 506 48 48 ARG HB2 H 1.965 . 1 507 48 48 ARG HB3 H 1.965 . 1 508 48 48 ARG HG2 H 1.927 . 2 509 48 48 ARG HG3 H 1.582 . 2 510 48 48 ARG HD2 H 3.369 . 2 511 48 48 ARG HD3 H 3.228 . 2 512 48 48 ARG HE H 7.634 . 1 513 48 48 ARG CA C 57.349 . 1 514 48 48 ARG CB C 30.107 . 1 515 48 48 ARG CG C 28.123 . 1 516 48 48 ARG CD C 42.841 . 1 517 48 48 ARG N N 123.244 . 1 518 48 48 ARG NE N 84.768 . 1 519 49 49 LEU H H 7.013 . 1 520 49 49 LEU HA H 3.319 . 1 521 49 49 LEU HB2 H 1.848 . 2 522 49 49 LEU HB3 H 1.246 . 2 523 49 49 LEU HG H 1.637 . 1 524 49 49 LEU HD1 H 1.078 . 2 525 49 49 LEU HD2 H 1.174 . 2 526 49 49 LEU CA C 57.594 . 1 527 49 49 LEU CB C 40.249 . 1 528 49 49 LEU CG C 27.207 . 1 529 49 49 LEU CD1 C 26.500 . 2 530 49 49 LEU CD2 C 23.203 . 2 531 49 49 LEU N N 121.558 . 1 532 50 50 LYS H H 7.944 . 1 533 50 50 LYS HA H 4.008 . 1 534 50 50 LYS HB2 H 1.723 . 1 535 50 50 LYS HB3 H 1.723 . 1 536 50 50 LYS HG2 H 1.443 . 2 537 50 50 LYS HG3 H 1.351 . 2 538 50 50 LYS HD2 H 1.614 . 1 539 50 50 LYS HD3 H 1.614 . 1 540 50 50 LYS CA C 59.243 . 1 541 50 50 LYS CB C 32.071 . 1 542 50 50 LYS CG C 24.757 . 1 543 50 50 LYS CD C 29.204 . 1 544 50 50 LYS N N 118.973 . 1 545 51 51 ARG H H 7.464 . 1 546 51 51 ARG HA H 4.076 . 1 547 51 51 ARG HB2 H 1.965 . 2 548 51 51 ARG HB3 H 1.741 . 2 549 51 51 ARG HG2 H 1.634 . 1 550 51 51 ARG HG3 H 1.634 . 1 551 51 51 ARG HD2 H 3.238 . 1 552 51 51 ARG HD3 H 3.238 . 1 553 51 51 ARG HE H 7.242 . 1 554 51 51 ARG CA C 59.107 . 1 555 51 51 ARG CB C 30.211 . 1 556 51 51 ARG CG C 27.207 . 1 557 51 51 ARG CD C 44.037 . 1 558 51 51 ARG N N 118.402 . 1 559 51 51 ARG NE N 85.286 . 1 560 52 52 HIS H H 7.459 . 1 561 52 52 HIS HA H 4.371 . 1 562 52 52 HIS HB2 H 3.167 . 2 563 52 52 HIS HB3 H 2.919 . 2 564 52 52 HIS HD1 H 13.076 . 1 565 52 52 HIS HD2 H 7.202 . 1 566 52 52 HIS HE1 H 8.090 . 1 567 52 52 HIS CA C 58.677 . 1 568 52 52 HIS CB C 28.361 . 1 569 52 52 HIS CD2 C 127.576 . 1 570 52 52 HIS CE1 C 140.146 . 1 571 52 52 HIS N N 118.302 . 1 572 52 52 HIS ND1 N 174.154 . 1 573 53 53 GLU H H 8.369 . 1 574 53 53 GLU HA H 3.642 . 1 575 53 53 GLU HB2 H 2.207 . 1 576 53 53 GLU HB3 H 2.207 . 1 577 53 53 GLU HG2 H 2.792 . 2 578 53 53 GLU HG3 H 2.583 . 2 579 53 53 GLU CA C 60.037 . 1 580 53 53 GLU CB C 28.980 . 1 581 53 53 GLU CG C 36.459 . 1 582 53 53 GLU N N 117.118 . 1 583 54 54 LYS H H 7.091 . 1 584 54 54 LYS HA H 3.940 . 1 585 54 54 LYS CA C 59.825 . 1 586 54 54 LYS N N 116.802 . 1 587 55 55 VAL H H 7.973 . 1 588 55 55 VAL HA H 3.949 . 1 589 55 55 VAL HB H 2.039 . 1 590 55 55 VAL HG1 H 0.902 . 2 591 55 55 VAL HG2 H 0.988 . 2 592 55 55 VAL CA C 64.600 . 1 593 55 55 VAL CB C 31.368 . 1 594 55 55 VAL CG1 C 20.879 . 2 595 55 55 VAL CG2 C 20.551 . 2 596 55 55 VAL N N 116.960 . 1 597 56 56 HIS H H 6.812 . 1 598 56 56 HIS HA H 4.258 . 1 599 56 56 HIS HB2 H 2.678 . 1 600 56 56 HIS HB3 H 2.678 . 1 601 56 56 HIS HD2 H 6.306 . 1 602 56 56 HIS HE1 H 7.970 . 1 603 56 56 HIS CA C 56.511 . 1 604 56 56 HIS CB C 27.600 . 1 605 56 56 HIS CD2 C 127.376 . 1 606 56 56 HIS CE1 C 139.347 . 1 607 56 56 HIS N N 115.817 . 1 608 57 57 ALA H H 7.284 . 1 609 57 57 ALA HA H 4.223 . 1 610 57 57 ALA HB H 1.404 . 1 611 57 57 ALA CA C 53.039 . 1 612 57 57 ALA CB C 18.810 . 1 613 57 57 ALA N N 121.126 . 1 614 58 58 GLY H H 6.937 . 1 615 58 58 GLY HA2 H 3.924 . 2 616 58 58 GLY HA3 H 3.668 . 2 617 58 58 GLY CA C 43.822 . 1 618 58 58 GLY N N 103.511 . 1 619 59 59 TYR H H 8.081 . 1 620 59 59 TYR HA H 4.669 . 1 621 59 59 TYR HB2 H 2.643 . 2 622 59 59 TYR HB3 H 2.414 . 2 623 59 59 TYR HD1 H 6.960 . 3 624 59 59 TYR HE1 H 6.854 . 3 625 59 59 TYR CA C 55.633 . 1 626 59 59 TYR CB C 38.309 . 1 627 59 59 TYR CD1 C 133.046 . 3 628 59 59 TYR CE1 C 118.360 . 3 629 59 59 TYR N N 116.133 . 1 630 60 60 PRO HA H 4.799 . 1 631 60 60 PRO HB2 H 2.277 . 2 632 60 60 PRO HB3 H 1.865 . 2 633 60 60 PRO HG2 H 1.991 . 2 634 60 60 PRO HG3 H 1.912 . 2 635 60 60 PRO HD2 H 3.607 . 2 636 60 60 PRO HD3 H 3.491 . 2 637 60 60 PRO CA C 62.073 . 1 638 60 60 PRO CB C 32.328 . 1 639 60 60 PRO CG C 27.194 . 1 640 60 60 PRO CD C 50.706 . 1 641 61 61 CYS H H 8.326 . 1 642 61 61 CYS HA H 4.570 . 1 643 61 61 CYS HB2 H 3.310 . 2 644 61 61 CYS HB3 H 3.084 . 2 645 61 61 CYS CA C 61.474 . 1 646 61 61 CYS CB C 30.456 . 1 647 61 61 CYS N N 123.676 . 1 648 62 62 LYS H H 8.182 . 1 649 62 62 LYS HA H 4.765 . 1 650 62 62 LYS HB2 H 2.188 . 2 651 62 62 LYS HB3 H 1.671 . 2 652 62 62 LYS HG2 H 1.544 . 2 653 62 62 LYS HG3 H 1.450 . 2 654 62 62 LYS HD2 H 1.751 . 2 655 62 62 LYS HD3 H 1.675 . 2 656 62 62 LYS HE2 H 2.988 . 1 657 62 62 LYS HE3 H 2.988 . 1 658 62 62 LYS CA C 54.651 . 1 659 62 62 LYS CB C 32.263 . 1 660 62 62 LYS CG C 24.038 . 1 661 62 62 LYS CD C 28.285 . 1 662 62 62 LYS CE C 41.650 . 1 663 62 62 LYS N N 126.970 . 1 664 63 63 LYS H H 8.799 . 1 665 63 63 LYS HA H 4.085 . 1 666 63 63 LYS HB2 H 1.315 . 2 667 63 63 LYS HB3 H 0.825 . 2 668 63 63 LYS HG2 H 1.606 . 2 669 63 63 LYS HG3 H 1.151 . 2 670 63 63 LYS HD2 H 1.622 . 2 671 63 63 LYS HD3 H 1.596 . 2 672 63 63 LYS HE2 H 2.971 . 2 673 63 63 LYS HE3 H 2.862 . 2 674 63 63 LYS CA C 56.044 . 1 675 63 63 LYS CB C 31.281 . 1 676 63 63 LYS CG C 25.086 . 1 677 63 63 LYS CD C 27.226 . 1 678 63 63 LYS CE C 41.636 . 1 679 63 63 LYS N N 121.319 . 1 680 64 64 ASP H H 7.285 . 1 681 64 64 ASP HA H 4.659 . 1 682 64 64 ASP HB2 H 2.532 . 2 683 64 64 ASP HB3 H 2.474 . 2 684 64 64 ASP CA C 53.329 . 1 685 64 64 ASP CB C 44.414 . 1 686 64 64 ASP N N 116.641 . 1 687 65 65 ASP H H 8.949 . 1 688 65 65 ASP HA H 4.498 . 1 689 65 65 ASP HB2 H 2.747 . 1 690 65 65 ASP HB3 H 2.747 . 1 691 65 65 ASP CA C 56.276 . 1 692 65 65 ASP CB C 40.543 . 1 693 65 65 ASP N N 125.656 . 1 694 66 66 SER H H 8.922 . 1 695 66 66 SER HA H 4.547 . 1 696 66 66 SER HB2 H 3.997 . 2 697 66 66 SER HB3 H 3.912 . 2 698 66 66 SER CA C 58.519 . 1 699 66 66 SER CB C 64.075 . 1 700 66 66 SER N N 114.354 . 1 701 67 67 CYS H H 8.093 . 1 702 67 67 CYS HA H 4.535 . 1 703 67 67 CYS HB2 H 3.451 . 2 704 67 67 CYS HB3 H 3.113 . 2 705 67 67 CYS CA C 60.048 . 1 706 67 67 CYS CB C 29.979 . 1 707 67 67 CYS N N 126.835 . 1 708 68 68 SER H H 8.933 . 1 709 68 68 SER HA H 4.777 . 1 710 68 68 SER HB2 H 4.129 . 2 711 68 68 SER HB3 H 3.929 . 2 712 68 68 SER CA C 57.732 . 1 713 68 68 SER CB C 63.856 . 1 714 68 68 SER N N 123.696 . 1 715 69 69 PHE H H 8.583 . 1 716 69 69 PHE HA H 4.130 . 1 717 69 69 PHE HB2 H 2.862 . 2 718 69 69 PHE HB3 H 2.522 . 2 719 69 69 PHE HD1 H 6.841 . 3 720 69 69 PHE HE1 H 7.137 . 3 721 69 69 PHE HZ H 7.085 . 1 722 69 69 PHE CA C 59.957 . 1 723 69 69 PHE CB C 40.596 . 1 724 69 69 PHE CD1 C 131.939 . 3 725 69 69 PHE CE1 C 130.799 . 3 726 69 69 PHE CZ C 128.972 . 1 727 69 69 PHE N N 125.992 . 1 728 70 70 VAL H H 7.688 . 1 729 70 70 VAL HA H 3.891 . 1 730 70 70 VAL HB H 1.720 . 1 731 70 70 VAL HG1 H 0.642 . 2 732 70 70 VAL HG2 H 0.825 . 2 733 70 70 VAL CA C 61.494 . 1 734 70 70 VAL CB C 33.913 . 1 735 70 70 VAL CG1 C 20.974 . 2 736 70 70 VAL CG2 C 20.787 . 2 737 70 70 VAL N N 128.521 . 1 738 71 71 GLY H H 8.698 . 1 739 71 71 GLY HA2 H 4.180 . 2 740 71 71 GLY HA3 H 3.255 . 2 741 71 71 GLY CA C 45.227 . 1 742 71 71 GLY N N 115.626 . 1 743 72 72 LYS H H 8.934 . 1 744 72 72 LYS HA H 4.339 . 1 745 72 72 LYS HB2 H 1.903 . 1 746 72 72 LYS HB3 H 1.903 . 1 747 72 72 LYS HG2 H 1.632 . 2 748 72 72 LYS HG3 H 1.530 . 2 749 72 72 LYS HD2 H 1.738 . 1 750 72 72 LYS HD3 H 1.738 . 1 751 72 72 LYS HE2 H 3.010 . 1 752 72 72 LYS HE3 H 3.010 . 1 753 72 72 LYS CA C 57.843 . 1 754 72 72 LYS CB C 33.392 . 1 755 72 72 LYS CG C 25.307 . 1 756 72 72 LYS CD C 28.759 . 1 757 72 72 LYS CE C 42.297 . 1 758 72 72 LYS N N 121.171 . 1 759 73 73 THR H H 7.071 . 1 760 73 73 THR HA H 4.461 . 1 761 73 73 THR HB H 3.925 . 1 762 73 73 THR HG2 H 0.978 . 1 763 73 73 THR CA C 58.052 . 1 764 73 73 THR CB C 73.303 . 1 765 73 73 THR CG2 C 22.117 . 1 766 73 73 THR N N 103.099 . 1 767 74 74 TRP H H 7.983 . 1 768 74 74 TRP HA H 3.904 . 1 769 74 74 TRP HB2 H 3.035 . 2 770 74 74 TRP HB3 H 2.878 . 2 771 74 74 TRP HD1 H 6.453 . 1 772 74 74 TRP HE1 H 9.658 . 1 773 74 74 TRP HE3 H 6.855 . 1 774 74 74 TRP HZ2 H 7.185 . 1 775 74 74 TRP HZ3 H 6.357 . 1 776 74 74 TRP HH2 H 6.170 . 1 777 74 74 TRP CA C 59.125 . 1 778 74 74 TRP CB C 30.485 . 1 779 74 74 TRP CD1 C 126.602 . 1 780 74 74 TRP CE3 C 118.420 . 1 781 74 74 TRP CZ2 C 113.048 . 1 782 74 74 TRP CZ3 C 120.848 . 1 783 74 74 TRP CH2 C 121.963 . 1 784 74 74 TRP N N 123.043 . 1 785 74 74 TRP NE1 N 129.717 . 1 786 75 75 THR H H 8.516 . 1 787 75 75 THR HA H 3.674 . 1 788 75 75 THR HB H 4.366 . 1 789 75 75 THR HG2 H 1.396 . 1 790 75 75 THR CA C 67.448 . 1 791 75 75 THR CB C 68.976 . 1 792 75 75 THR CG2 C 21.091 . 1 793 75 75 THR N N 113.721 . 1 794 76 76 LEU H H 7.835 . 1 795 76 76 LEU HA H 4.148 . 1 796 76 76 LEU HB2 H 1.866 . 2 797 76 76 LEU HB3 H 1.708 . 2 798 76 76 LEU HG H 1.707 . 1 799 76 76 LEU HD1 H 1.119 . 2 800 76 76 LEU HD2 H 1.003 . 2 801 76 76 LEU CA C 57.769 . 1 802 76 76 LEU CB C 41.589 . 1 803 76 76 LEU CG C 27.400 . 1 804 76 76 LEU CD1 C 25.839 . 2 805 76 76 LEU CD2 C 22.440 . 2 806 76 76 LEU N N 120.902 . 1 807 77 77 TYR H H 8.186 . 1 808 77 77 TYR HA H 4.542 . 1 809 77 77 TYR HD1 H 6.588 . 3 810 77 77 TYR HE1 H 6.847 . 3 811 77 77 TYR CA C 61.308 . 1 812 77 77 TYR CD1 C 133.177 . 3 813 77 77 TYR CE1 C 117.537 . 3 814 77 77 TYR N N 123.586 . 1 815 78 78 LEU H H 8.225 . 1 816 78 78 LEU HA H 3.269 . 1 817 78 78 LEU HB2 H 1.677 . 2 818 78 78 LEU HB3 H 1.033 . 2 819 78 78 LEU HG H 0.600 . 1 820 78 78 LEU HD1 H 0.670 . 2 821 78 78 LEU HD2 H 0.162 . 2 822 78 78 LEU CA C 57.592 . 1 823 78 78 LEU CB C 40.231 . 1 824 78 78 LEU CG C 25.300 . 1 825 78 78 LEU CD1 C 26.399 . 2 826 78 78 LEU CD2 C 21.306 . 2 827 78 78 LEU N N 119.777 . 1 828 79 79 LYS H H 7.887 . 1 829 79 79 LYS HA H 3.942 . 1 830 79 79 LYS HB2 H 1.897 . 2 831 79 79 LYS HB3 H 1.831 . 2 832 79 79 LYS HG2 H 1.561 . 2 833 79 79 LYS HG3 H 1.382 . 2 834 79 79 LYS HD2 H 1.649 . 1 835 79 79 LYS HD3 H 1.649 . 1 836 79 79 LYS CA C 59.258 . 1 837 79 79 LYS CB C 32.529 . 1 838 79 79 LYS CG C 25.248 . 1 839 79 79 LYS CD C 29.548 . 1 840 79 79 LYS N N 120.078 . 1 841 80 80 HIS H H 7.476 . 1 842 80 80 HIS HA H 3.981 . 1 843 80 80 HIS HB2 H 2.995 . 2 844 80 80 HIS HB3 H 2.260 . 2 845 80 80 HIS HD1 H 11.832 . 1 846 80 80 HIS HD2 H 6.694 . 1 847 80 80 HIS HE1 H 7.656 . 1 848 80 80 HIS CA C 59.399 . 1 849 80 80 HIS CB C 27.601 . 1 850 80 80 HIS CD2 C 126.086 . 1 851 80 80 HIS CE1 C 139.569 . 1 852 80 80 HIS N N 119.478 . 1 853 80 80 HIS ND1 N 173.991 . 1 854 81 81 VAL H H 7.981 . 1 855 81 81 VAL HA H 3.068 . 1 856 81 81 VAL HB H 1.789 . 1 857 81 81 VAL HG1 H 0.565 . 2 858 81 81 VAL HG2 H 0.777 . 2 859 81 81 VAL CA C 67.252 . 1 860 81 81 VAL CB C 31.412 . 1 861 81 81 VAL CG1 C 22.925 . 2 862 81 81 VAL CG2 C 21.975 . 2 863 81 81 VAL N N 119.787 . 1 864 82 82 ALA H H 7.420 . 1 865 82 82 ALA HA H 3.985 . 1 866 82 82 ALA HB H 1.386 . 1 867 82 82 ALA CA C 54.101 . 1 868 82 82 ALA CB C 18.029 . 1 869 82 82 ALA N N 120.111 . 1 870 83 83 GLU H H 7.678 . 1 871 83 83 GLU HA H 4.090 . 1 872 83 83 GLU HB2 H 1.971 . 1 873 83 83 GLU HB3 H 1.971 . 1 874 83 83 GLU HG2 H 2.400 . 2 875 83 83 GLU HG3 H 2.195 . 2 876 83 83 GLU CA C 57.843 . 1 877 83 83 GLU CB C 31.182 . 1 878 83 83 GLU CG C 36.248 . 1 879 83 83 GLU N N 114.726 . 1 880 84 84 CYS H H 8.018 . 1 881 84 84 CYS HA H 4.248 . 1 882 84 84 CYS HB2 H 2.098 . 2 883 84 84 CYS HB3 H 1.317 . 2 884 84 84 CYS CA C 59.957 . 1 885 84 84 CYS CB C 28.785 . 1 886 84 84 CYS N N 113.028 . 1 887 85 85 HIS H H 7.745 . 1 888 85 85 HIS HA H 5.069 . 1 889 85 85 HIS HB2 H 3.260 . 2 890 85 85 HIS HB3 H 2.883 . 2 891 85 85 HIS HD1 H 12.741 . 1 892 85 85 HIS HD2 H 6.204 . 1 893 85 85 HIS HE1 H 7.941 . 1 894 85 85 HIS CA C 53.512 . 1 895 85 85 HIS CB C 28.815 . 1 896 85 85 HIS CD2 C 127.082 . 1 897 85 85 HIS CE1 C 139.465 . 1 898 85 85 HIS N N 116.739 . 1 899 85 85 HIS ND1 N 172.717 . 1 900 86 86 GLN H H 8.214 . 1 901 86 86 GLN HA H 4.364 . 1 902 86 86 GLN HB2 H 2.127 . 2 903 86 86 GLN HB3 H 1.933 . 2 904 86 86 GLN HG2 H 2.307 . 1 905 86 86 GLN HG3 H 2.307 . 1 906 86 86 GLN HE21 H 7.469 . 2 907 86 86 GLN HE22 H 6.813 . 2 908 86 86 GLN CA C 55.863 . 1 909 86 86 GLN CB C 29.535 . 1 910 86 86 GLN CG C 34.059 . 1 911 86 86 GLN N N 120.430 . 1 912 86 86 GLN NE2 N 112.982 . 1 913 87 87 ASP H H 8.103 . 1 914 87 87 ASP HA H 4.374 . 1 915 87 87 ASP HB2 H 2.670 . 2 916 87 87 ASP HB3 H 2.543 . 2 917 87 87 ASP CA C 55.513 . 1 918 87 87 ASP CB C 42.142 . 1 919 87 87 ASP N N 126.936 . 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $sample_1 stop_ _Details . _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 900 _Text_data_format . _Text_data . loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value _Residual_dipolar_coupling_value_error DN1H1 1 G H1 1 G N1 13.864 ? ? . . 1.000 DN1H1 2 G H1 2 G N1 12.678 ? ? . . 1.000 DN1H1 3 G H1 3 G N1 19.245 ? ? . . 1.000 DN1H1 15 G H1 15 G N1 9.030 ? ? . . 1.000 DN1H1 16 G H1 16 G N1 7.479 ? ? . . 1.000 DN1H1 17 G H1 17 G N1 13.681 ? ? . . 1.000 DN3H3 20 U H3 20 U N3 11.401 ? ? . . 1.000 DN1H1 21 G H1 21 G N1 9.394 ? ? . . 1.000 DN1H1 22 G H1 22 G N1 11.401 ? ? . . 1.000 DN3H3 24 U H3 24 U N3 7.661 ? ? . . 1.000 DN1H1 26 G H1 26 G N1 -7.297 ? ? . . 1.000 DN3H3 27 U H3 27 U N3 -3.283 ? ? . . 1.000 DN3H3 31 U H3 31 U N3 14.593 ? ? . . 1.000 DN1H1 39 G H1 39 G N1 11.492 ? ? . . 1.000 DN1H1 40 G H1 40 G N1 10.945 ? ? . . 1.000 DN1H1 41 G H1 41 G N1 -5.655 ? ? . . 1.000 DN3H3 44 U H3 44 U N3 7.570 ? ? . . 1.000 DN1H1 49 G H1 49 G N1 16.144 ? ? . . 1.000 DN1H1 50 G H1 50 G N1 17.877 ? ? . . 1.000 DN3H3 51 U H3 51 U N3 13.864 ? ? . . 1.000 DN1H1 52 G H1 52 G N1 9.030 ? ? . . 1.000 DNHN 2 TYR HN 2 TYR N -20.887 ? ? . . 1.000 DNHN 3 VAL HN 3 VAL N -19.245 ? ? . . 1.000 DNHN 4 CYS HN 4 CYS N 2.645 ? ? . . 1.000 DNHN 5 HIS HN 5 HIS N 14.776 ? ? . . 1.000 DNHN 6 PHE HN 6 PHE N -5.108 ? ? . . 1.000 DNHN 7 GLU HN 7 GLU N 11.948 ? ? . . 1.000 DNHN 8 ASN HN 8 ASN N -19.792 ? ? . . 1.000 DNHN 9 CYS HN 9 CYS N -2.098 ? ? . . 1.000 DNHN 10 GLY HN 10 GLY N 8.847 ? ? . . 1.000 DNHN 11 LYS HN 11 LYS N 5.381 ? ? . . 1.000 DNHN 12 ALA HN 12 ALA N 6.749 ? ? . . 1.000 DNHN 13 PHE HN 13 PHE N -11.036 ? ? . . 1.000 DNHN 14 LYS HN 14 LYS N -20.704 ? ? . . 1.000 DNHN 15 LYS HN 15 LYS N -13.499 ? ? . . 1.000 DNHN 16 HIS HN 16 HIS N 4.652 ? ? . . 1.000 DNHN 17 ASN HN 17 ASN N 13.590 ? ? . . 1.000 DNHN 18 GLN HN 18 GLN N -7.844 ? ? . . 1.000 DNHN 19 LEU HN 19 LEU N -0.547 ? ? . . 1.000 DNHN 20 LYS HN 20 LYS N 4.378 ? ? . . 1.000 DNHN 22 HIS HN 22 HIS N -3.648 ? ? . . 1.000 DNHN 23 GLN HN 23 GLN N 5.472 ? ? . . 1.000 DNHN 24 PHE HN 24 PHE N 10.398 ? ? . . 1.000 DNHN 25 SER HN 25 SER N 1.824 ? ? . . 1.000 DNHN 26 HIS HN 26 HIS N 3.740 ? ? . . 1.000 DNHN 27 THR HN 27 THR N 9.850 ? ? . . 1.000 DNHN 28 GLN HN 28 GLN N 9.577 ? ? . . 1.000 DNHN 29 GLN HN 29 GLN N -7.753 ? ? . . 1.000 DNHN 33 GLU HN 33 GLU N -21.890 ? ? . . 1.000 DNHN 34 CYS HN 34 CYS N 2.098 ? ? . . 1.000 DNHN 36 HIS HN 36 HIS N 8.300 ? ? . . 1.000 DNHN 37 GLU HN 37 GLU N 13.408 ? ? . . 1.000 DNHN 38 GLY HN 38 GLY N -18.698 ? ? . . 1.000 DNHN 39 CYS HN 39 CYS N -14.228 ? ? . . 1.000 DNHN 40 ASP HN 40 ASP N -23.988 ? ? . . 1.000 DNHN 41 LYS HN 41 LYS N 12.222 ? ? . . 1.000 DNHN 42 ARG HN 42 ARG N -6.567 ? ? . . 1.000 DNHN 43 PHE HN 43 PHE N -13.134 ? ? . . 1.000 DNHN 44 SER HN 44 SER N -24.809 ? ? . . 1.000 DNHN 45 LEU HN 45 LEU N -18.059 ? ? . . 1.000 DNHN 47 SER HN 47 SER N 8.482 ? ? . . 1.000 DNHN 48 ARG HN 48 ARG N -8.574 ? ? . . 1.000 DNHN 49 LEU HN 49 LEU N -15.323 ? ? . . 1.000 DNHN 50 LYS HN 50 LYS N 1.003 ? ? . . 1.000 DNHN 53 GLU HN 53 GLU N -6.749 ? ? . . 1.000 DNHN 54 LYS HN 54 LYS N 19.427 ? ? . . 1.000 DNHN 55 VAL HN 55 VAL N 1.642 ? ? . . 1.000 DNHN 56 HIS HN 56 HIS N -7.753 ? ? . . 1.000 DNHN 57 ALA HN 57 ALA N 16.053 ? ? . . 1.000 DNHN 58 GLY HN 58 GLY N 14.320 ? ? . . 1.000 DNHN 59 TYR HN 59 TYR N 0.730 ? ? . . 1.000 DNHN 61 CYS HN 61 CYS N 13.499 ? ? . . 1.000 DNHN 62 LYS HN 62 LYS N 4.560 ? ? . . 1.000 DNHN 63 LYS HN 63 LYS N 9.577 ? ? . . 1.000 DNHN 64 ASP HN 64 ASP N -5.472 ? ? . . 1.000 DNHN 65 ASP HN 65 ASP N -0.456 ? ? . . 1.000 DNHN 66 SER HN 66 SER N -10.945 ? ? . . 1.000 DNHN 67 CYS HN 67 CYS N -2.189 ? ? . . 1.000 DNHN 68 SER HN 68 SER N -10.763 ? ? . . 1.000 DNHN 69 PHE HN 69 PHE N -12.769 ? ? . . 1.000 DNHN 70 VAL HN 70 VAL N 9.668 ? ? . . 1.000 DNHN 71 GLY HN 71 GLY N 11.948 ? ? . . 1.000 DNHN 72 LYS HN 72 LYS N -13.043 ? ? . . 1.000 DNHN 73 THR HN 73 THR N -17.786 ? ? . . 1.000 DNEHE 74 TRP HE1 74 TRP NE1 8.300 ? ? . . 1.000 DNHN 74 TRP HN 74 TRP N -12.587 ? ? . . 1.000 DNHN 75 THR HN 75 THR N -4.378 ? ? . . 1.000 DNHN 76 LEU HN 76 LEU N -15.232 ? ? . . 1.000 DNHN 77 TYR HN 77 TYR N -8.756 ? ? . . 1.000 DNHN 78 LEU HN 78 LEU N -15.505 ? ? . . 1.000 DNHN 79 LYS HN 79 LYS N -17.421 ? ? . . 1.000 DNHN 80 HIS HN 80 HIS N -24.991 ? ? . . 1.000 DNHN 81 VAL HN 81 VAL N -7.935 ? ? . . 1.000 DNHN 82 ALA HN 82 ALA N -5.472 ? ? . . 1.000 DNHN 83 GLU HN 83 GLU N -25.082 ? ? . . 1.000 DNHN 84 CYS HN 84 CYS N -12.587 ? ? . . 1.000 DNHN 85 HIS HN 85 HIS N 18.789 ? ? . . 1.000 DNHN 86 GLN HN 86 GLN N 11.948 ? ? . . 1.000 stop_ save_