data_17970 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure and binding studies of the RanBP2-type zinc finger of RBM5 ; _BMRB_accession_number 17970 _BMRB_flat_file_name bmr17970.str _Entry_type original _Submission_date 2011-09-30 _Accession_date 2011-09-30 _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 Farina Biancamaria . . 2 Pellecchia Maurizio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 200 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-01-05 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17969 RBM5-ZF1 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Targeting Zinc Finger Domains with Small Molecules: Solution Structure and Binding Studies of the RanBP2-Type Zinc Finger of RBM5' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22162216 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Farina Biancamaria . . 2 Fattorusso Roberto . . 3 Pellecchia Maurizio . . stop_ _Journal_abbreviation ChemBioChem _Journal_volume 12 _Journal_issue 18 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2837 _Page_last 2845 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RBM5-ZF1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RBM5-ZF1 $RBM5-ZF1 AQN $AQN 'ZINC ION' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RBM5-ZF1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RBM5-ZF1 _Molecular_mass 3734.461 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 32 _Mol_residue_sequence ; XKFEDWLCNKCCLNNFRKRL KCFRCGADKFDX ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 ACE 2 1 LYS 3 2 PHE 4 3 GLU 5 4 ASP 6 5 TRP 7 6 LEU 8 7 CYS 9 8 ASN 10 9 LYS 11 10 CYS 12 11 CYS 13 12 LEU 14 13 ASN 15 14 ASN 16 15 PHE 17 16 ARG 18 17 LYS 19 18 ARG 20 19 LEU 21 20 LYS 22 21 CYS 23 22 PHE 24 23 ARG 25 24 CYS 26 25 GLY 27 26 ALA 28 27 ASP 29 28 LYS 30 29 PHE 31 30 ASP 32 31 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 17387 RBM5_ZnF 93.75 40 100.00 100.00 2.45e-11 BMRB 17969 RBM5-ZF1 93.75 32 100.00 100.00 8.85e-11 PDB 2LK0 "Solution Structure And Binding Studies Of The Ranbp2-Type Zinc Finger Of Rbm5" 93.75 32 100.00 100.00 8.85e-11 PDB 2LK1 "Solution Structure And Binding Studies Of The Ranbp2-Type Zinc Finger Of Rbm5" 93.75 32 100.00 100.00 8.85e-11 DBJ BAE22042 "unnamed protein product [Mus musculus]" 93.75 815 100.00 100.00 3.91e-15 DBJ BAE27501 "unnamed protein product [Mus musculus]" 93.75 815 100.00 100.00 3.91e-15 DBJ BAE87995 "unnamed protein product [Macaca fascicularis]" 93.75 548 100.00 100.00 2.57e-15 DBJ BAG36742 "unnamed protein product [Homo sapiens]" 93.75 815 100.00 100.00 3.91e-15 DBJ BAG59728 "unnamed protein product [Homo sapiens]" 93.75 643 100.00 100.00 3.16e-15 EMBL CAC69136 "RNA binding motif protein 5 [Mus musculus]" 93.75 815 100.00 100.00 3.91e-15 GB AAA99715 "putative tumor suppressor [Homo sapiens]" 93.75 815 100.00 100.00 3.91e-15 GB AAB42216 "partial CDS, human putative tumor suppressor (U23946) [Homo sapiens]" 93.75 698 100.00 100.00 3.44e-15 GB AAD04159 "RNA binding motif protein 5 [Homo sapiens]" 93.75 815 100.00 100.00 3.91e-15 GB AAF02422 "lung cancer tumor suppressor H37 [Homo sapiens]" 93.75 815 100.00 100.00 3.91e-15 GB AAH19766 "Rbm5 protein, partial [Mus musculus]" 93.75 444 100.00 100.00 1.75e-15 REF NP_001039839 "RNA-binding protein 5 [Bos taurus]" 93.75 815 100.00 100.00 3.91e-15 REF NP_001094018 "RNA-binding protein 5 [Rattus norvegicus]" 93.75 815 100.00 100.00 3.91e-15 REF NP_001248103 "RNA-binding protein 5 [Macaca mulatta]" 93.75 815 100.00 100.00 3.91e-15 REF NP_005769 "RNA-binding protein 5 [Homo sapiens]" 93.75 815 100.00 100.00 3.91e-15 REF NP_683732 "RNA-binding protein 5 [Mus musculus]" 93.75 815 100.00 100.00 3.91e-15 SP B2GV05 "RecName: Full=RNA-binding protein 5; AltName: Full=RNA-binding motif protein 5" 93.75 815 100.00 100.00 3.91e-15 SP P52756 "RecName: Full=RNA-binding protein 5; AltName: Full=Protein G15; AltName: Full=Putative tumor suppressor LUCA15; AltName: Full=R" 93.75 815 100.00 100.00 3.91e-15 SP Q1RMU5 "RecName: Full=RNA-binding protein 5; AltName: Full=Putative tumor suppressor LUCA15; AltName: Full=RNA-binding motif protein 5" 93.75 815 100.00 100.00 3.91e-15 SP Q91YE7 "RecName: Full=RNA-binding protein 5; AltName: Full=Putative tumor suppressor LUCA15; AltName: Full=RNA-binding motif protein 5" 93.75 815 100.00 100.00 3.91e-15 TPG DAA16943 "TPA: RNA-binding protein 5 [Bos taurus]" 93.75 815 100.00 100.00 3.91e-15 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_ACE _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'ACETYL GROUP' _BMRB_code . _PDB_code ACE _Standard_residue_derivative . _Molecular_mass 44.053 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 18:21:37 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . 0 . ? O O O . 0 . ? CH3 CH3 C . 0 . ? H H H . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C O ? ? SING C CH3 ? ? SING C H ? ? SING CH3 H1 ? ? SING CH3 H2 ? ? SING CH3 H3 ? ? stop_ save_ save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'AMINO GROUP' _BMRB_code . _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 18:21:52 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N HN1 ? ? SING N HN2 ? ? stop_ save_ ############# # Ligands # ############# save_AQN _Saveframe_category ligand _Mol_type non-polymer _Name_common "AQN (9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid)" _BMRB_code . _PDB_code AQN _Molecular_mass 288.275 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Oct 20 18:46:16 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? O3 O3 O . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? O10 O10 O . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? S15 S15 S . 0 . ? OS1 OS1 O . 0 . ? OS2 OS2 O . 0 . ? OS3 OS3 O . 0 . ? H1 H1 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H12 H12 H . 0 . ? H13 H13 H . 0 . ? HOS3 HOS3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING H1 C1 ? ? DOUB C1 C14 ? ? SING C1 C2 ? ? SING C3 C2 ? ? DOUB C2 C11 ? ? DOUB O3 C3 ? ? SING C3 C4 ? ? DOUB C5 C4 ? ? SING C4 C9 ? ? SING H5 C5 ? ? SING C5 C6 ? ? SING H6 C6 ? ? DOUB C6 C7 ? ? SING C7 H7 ? ? SING C7 C8 ? ? DOUB C9 C8 ? ? SING C8 H8 ? ? SING C9 C10 ? ? SING C11 C10 ? ? DOUB C10 O10 ? ? SING C11 C12 ? ? DOUB C13 C12 ? ? SING C12 H12 ? ? SING C14 C13 ? ? SING C13 H13 ? ? SING S15 C14 ? ? DOUB OS1 S15 ? ? DOUB OS2 S15 ? ? SING S15 OS3 ? ? SING OS3 HOS3 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ 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 Thu Oct 20 18:20:20 2011 ; 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 _Gene_mnemonic $RBM5-ZF1 'Homo sapiens' 9606 Eukaryota Metazoa Homo sapiens rbm5 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 $RBM5-ZF1 'chemical synthesis' . . . . . $AQN 'obtained from a vendor' . . . . . $ZN 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RBM5-ZF1 100 uM 'natural abundance' $ZN 150 uM 'natural abundance' $AQN 500 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version v2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version v1.5,v1.8 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version v2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ save_SYBYL _Saveframe_category software _Name SYBYL _Version . loop_ _Vendor _Address _Electronic_address Tripos . . stop_ loop_ _Task 'Energy Minimization' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details 'equipped with a TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'd10-dithiothreitol (DTT) was used to prevent oxidation of the cysteines' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 293 . K pH 5.7 . pH pressure 1 . atm 'ionic strength' 0 . M 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 water H 1 protons ppm 4.828 internal direct . . . 1 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D DQF-COSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RBM5-ZF1 _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 2 LYS H H 8.035 0.020 1 2 1 2 LYS HA H 3.952 0.020 1 3 1 2 LYS HB2 H 1.752 0.020 2 4 1 2 LYS HB3 H 1.370 0.020 2 5 1 2 LYS HG2 H 1.080 0.020 2 6 1 2 LYS HG3 H 0.992 0.020 2 7 1 2 LYS HD2 H 1.359 0.020 1 8 1 2 LYS HD3 H 1.359 0.020 1 9 1 2 LYS HE2 H 2.702 0.020 1 10 1 2 LYS HE3 H 2.702 0.020 1 11 2 3 PHE H H 8.329 0.020 1 12 2 3 PHE HA H 4.552 0.020 1 13 2 3 PHE HB2 H 2.975 0.020 2 14 2 3 PHE HB3 H 2.708 0.020 2 15 2 3 PHE HD1 H 7.040 0.020 1 16 2 3 PHE HD2 H 7.040 0.020 1 17 2 3 PHE HE1 H 7.117 0.020 1 18 2 3 PHE HE2 H 7.117 0.020 1 19 3 4 GLU H H 8.018 0.020 1 20 3 4 GLU HA H 4.283 0.020 1 21 3 4 GLU HB2 H 1.701 0.020 1 22 3 4 GLU HB3 H 1.701 0.020 1 23 3 4 GLU HG2 H 2.003 0.020 1 24 3 4 GLU HG3 H 2.003 0.020 1 25 4 5 ASP H H 8.096 0.020 1 26 4 5 ASP HA H 4.427 0.020 1 27 4 5 ASP HB2 H 2.567 0.020 2 28 4 5 ASP HB3 H 2.261 0.020 2 29 5 6 TRP H H 8.330 0.020 1 30 5 6 TRP HA H 4.867 0.020 1 31 5 6 TRP HB2 H 3.128 0.020 2 32 5 6 TRP HB3 H 2.862 0.020 2 33 5 6 TRP HD1 H 6.917 0.020 1 34 5 6 TRP HE1 H 9.467 0.020 1 35 5 6 TRP HE3 H 7.126 0.020 1 36 5 6 TRP HZ2 H 6.420 0.020 1 37 5 6 TRP HZ3 H 6.872 0.020 1 38 5 6 TRP HH2 H 6.613 0.020 1 39 6 7 LEU H H 8.630 0.020 1 40 6 7 LEU HA H 4.386 0.020 1 41 6 7 LEU HB2 H 1.342 0.020 1 42 6 7 LEU HB3 H 1.342 0.020 1 43 6 7 LEU HG H 1.171 0.020 1 44 6 7 LEU HD1 H 0.605 0.020 2 45 6 7 LEU HD2 H 0.533 0.020 2 46 7 8 CYS H H 8.463 0.020 1 47 7 8 CYS HA H 4.486 0.020 1 48 7 8 CYS HB2 H 2.931 0.020 2 49 7 8 CYS HB3 H 2.509 0.020 2 50 8 9 ASN H H 8.955 0.020 1 51 8 9 ASN HA H 4.375 0.020 1 52 8 9 ASN HB2 H 2.698 0.020 2 53 8 9 ASN HB3 H 2.571 0.020 2 54 8 9 ASN HD21 H 6.717 0.020 1 55 8 9 ASN HD22 H 7.454 0.020 1 56 9 10 LYS H H 9.070 0.020 1 57 9 10 LYS HA H 4.245 0.020 1 58 9 10 LYS HB2 H 1.768 0.020 1 59 9 10 LYS HB3 H 1.768 0.020 1 60 9 10 LYS HG2 H 1.234 0.020 1 61 9 10 LYS HG3 H 1.234 0.020 1 62 9 10 LYS HD2 H 1.538 0.020 2 63 9 10 LYS HD3 H 1.437 0.020 2 64 9 10 LYS HE2 H 2.794 0.020 1 65 9 10 LYS HE3 H 2.794 0.020 1 66 10 11 CYS H H 8.806 0.020 1 67 10 11 CYS HA H 4.070 0.020 1 68 10 11 CYS HB2 H 3.030 0.020 2 69 10 11 CYS HB3 H 2.391 0.020 2 70 11 12 CYS H H 7.609 0.020 1 71 11 12 CYS HA H 3.975 0.020 1 72 11 12 CYS HB2 H 3.037 0.020 2 73 11 12 CYS HB3 H 3.001 0.020 2 74 12 13 LEU H H 7.610 0.020 1 75 12 13 LEU HA H 3.971 0.020 1 76 12 13 LEU HB2 H 1.346 0.020 1 77 12 13 LEU HB3 H 1.346 0.020 1 78 12 13 LEU HG H 1.251 0.020 1 79 12 13 LEU HD1 H 0.756 0.020 2 80 12 13 LEU HD2 H 0.641 0.020 2 81 13 14 ASN H H 8.391 0.020 1 82 13 14 ASN HA H 4.551 0.020 1 83 13 14 ASN HB2 H 2.349 0.020 2 84 13 14 ASN HB3 H 2.254 0.020 2 85 13 14 ASN HD21 H 6.588 0.020 1 86 13 14 ASN HD22 H 7.124 0.020 1 87 14 15 ASN H H 9.049 0.020 1 88 14 15 ASN HA H 4.226 0.020 1 89 14 15 ASN HB2 H 1.232 0.020 2 90 14 15 ASN HB3 H 0.182 0.020 2 91 15 16 PHE H H 7.629 0.020 1 92 15 16 PHE HA H 4.319 0.020 1 93 15 16 PHE HB2 H 2.959 0.020 2 94 15 16 PHE HB3 H 2.697 0.020 2 95 15 16 PHE HD1 H 7.109 0.020 1 96 15 16 PHE HD2 H 7.109 0.020 1 97 15 16 PHE HE1 H 7.043 0.020 1 98 15 16 PHE HE2 H 7.043 0.020 1 99 16 17 ARG H H 8.140 0.020 1 100 16 17 ARG HA H 3.972 0.020 1 101 16 17 ARG HB2 H 1.505 0.020 2 102 16 17 ARG HB3 H 1.413 0.020 2 103 16 17 ARG HG2 H 0.920 0.020 2 104 16 17 ARG HG3 H 0.772 0.020 2 105 16 17 ARG HD2 H 2.789 0.020 1 106 16 17 ARG HD3 H 2.789 0.020 1 107 16 17 ARG HE H 7.075 0.020 1 108 17 18 LYS H H 6.021 0.020 1 109 17 18 LYS HA H 4.007 0.020 1 110 17 18 LYS HB2 H 1.799 0.020 2 111 17 18 LYS HB3 H 1.566 0.020 2 112 17 18 LYS HG2 H 1.105 0.020 1 113 17 18 LYS HG3 H 1.105 0.020 1 114 17 18 LYS HD2 H 1.523 0.020 1 115 17 18 LYS HD3 H 1.523 0.020 1 116 17 18 LYS HE2 H 2.758 0.020 1 117 17 18 LYS HE3 H 2.758 0.020 1 118 18 19 ARG H H 8.259 0.020 1 119 18 19 ARG HA H 4.170 0.020 1 120 18 19 ARG HB2 H 2.092 0.020 2 121 18 19 ARG HB3 H 2.013 0.020 2 122 18 19 ARG HG2 H 1.838 0.020 2 123 18 19 ARG HG3 H 1.789 0.020 2 124 18 19 ARG HD2 H 3.402 0.020 2 125 18 19 ARG HD3 H 3.338 0.020 2 126 18 19 ARG HE H 7.288 0.020 1 127 19 20 LEU H H 8.705 0.020 1 128 19 20 LEU HA H 4.146 0.020 1 129 19 20 LEU HB2 H 1.527 0.020 1 130 19 20 LEU HB3 H 1.527 0.020 1 131 19 20 LEU HG H 1.328 0.020 1 132 19 20 LEU HD1 H 0.774 0.020 2 133 19 20 LEU HD2 H 0.634 0.020 2 134 20 21 LYS H H 7.504 0.020 1 135 20 21 LYS HA H 4.959 0.020 1 136 20 21 LYS HB2 H 1.415 0.020 1 137 20 21 LYS HB3 H 1.415 0.020 1 138 20 21 LYS HG2 H 1.173 0.020 1 139 20 21 LYS HG3 H 1.173 0.020 1 140 20 21 LYS HD2 H 1.233 0.020 1 141 20 21 LYS HD3 H 1.233 0.020 1 142 20 21 LYS HE2 H 2.536 0.020 1 143 20 21 LYS HE3 H 2.536 0.020 1 144 21 22 CYS H H 9.624 0.020 1 145 21 22 CYS HA H 3.943 0.020 1 146 21 22 CYS HB2 H 3.067 0.020 2 147 21 22 CYS HB3 H 2.967 0.020 2 148 22 23 PHE H H 9.084 0.020 1 149 22 23 PHE HA H 3.959 0.020 1 150 22 23 PHE HB2 H 2.907 0.020 2 151 22 23 PHE HB3 H 2.468 0.020 2 152 22 23 PHE HD1 H 6.829 0.020 1 153 22 23 PHE HD2 H 6.829 0.020 1 154 22 23 PHE HE1 H 7.066 0.020 1 155 22 23 PHE HE2 H 7.066 0.020 1 156 23 24 ARG H H 8.776 0.020 1 157 23 24 ARG HA H 4.048 0.020 1 158 23 24 ARG HB2 H 2.036 0.020 2 159 23 24 ARG HB3 H 1.471 0.020 2 160 23 24 ARG HG2 H 1.364 0.020 2 161 23 24 ARG HG3 H 1.323 0.020 2 162 23 24 ARG HD2 H 3.138 0.020 2 163 23 24 ARG HD3 H 2.986 0.020 2 164 23 24 ARG HE H 7.232 0.020 1 165 24 25 CYS H H 8.250 0.020 1 166 24 25 CYS HA H 4.725 0.020 1 167 24 25 CYS HB2 H 3.036 0.020 2 168 24 25 CYS HB3 H 2.398 0.020 2 169 25 26 GLY H H 7.503 0.020 1 170 25 26 GLY HA2 H 4.017 0.020 2 171 25 26 GLY HA3 H 3.611 0.020 2 172 26 27 ALA H H 8.696 0.020 1 173 26 27 ALA HA H 4.088 0.020 1 174 26 27 ALA HB H 1.409 0.020 1 175 27 28 ASP H H 8.463 0.020 1 176 27 28 ASP HA H 4.398 0.020 1 177 27 28 ASP HB2 H 2.376 0.020 2 178 27 28 ASP HB3 H 2.242 0.020 2 179 28 29 LYS H H 7.307 0.020 1 180 28 29 LYS HA H 2.508 0.020 1 181 28 29 LYS HB2 H 0.481 0.020 1 182 28 29 LYS HB3 H 0.481 0.020 1 183 28 29 LYS HG2 H 0.138 0.020 2 184 28 29 LYS HG3 H -0.841 0.020 2 185 28 29 LYS HD2 H 0.575 0.020 2 186 28 29 LYS HD3 H -0.228 0.020 2 187 28 29 LYS HE2 H 2.035 0.020 2 188 28 29 LYS HE3 H 0.350 0.020 2 189 29 30 PHE H H 7.718 0.020 1 190 29 30 PHE HA H 4.298 0.020 1 191 29 30 PHE HB2 H 2.912 0.020 2 192 29 30 PHE HB3 H 2.779 0.020 2 193 29 30 PHE HD1 H 7.066 0.020 1 194 29 30 PHE HD2 H 7.066 0.020 1 195 29 30 PHE HE1 H 7.116 0.020 1 196 29 30 PHE HE2 H 7.116 0.020 1 197 30 31 ASP H H 7.835 0.020 1 198 30 31 ASP HA H 4.287 0.020 1 199 30 31 ASP HB2 H 2.370 0.020 1 200 30 31 ASP HB3 H 2.370 0.020 1 stop_ save_