data_25433 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the first Zinc Finger domain of RBM10 ; _BMRB_accession_number 25433 _BMRB_flat_file_name bmr25433.str _Entry_type original _Submission_date 2015-01-16 _Accession_date 2015-01-16 _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 Serrano Pedro . . 2 Wuthrich Kurt . . 3 Geralt Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 210 "13C chemical shifts" 140 "15N chemical shifts" 39 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-01-26 original author . stop_ _Original_release_date 2015-01-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the first Zinc Finger domain of RBM10' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Serrano Pedro . . 2 Geralt Michael . . 3 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RBM10_ZnF1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'ZINC ION' $entity_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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 4957.872 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 43 _Mol_residue_sequence ; GHMPKINEDWLCNKCGVQNF KRREKCFKCGVPKSEAEQKL PLG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 HIS 3 3 MET 4 4 PRO 5 5 LYS 6 6 ILE 7 7 ASN 8 8 GLU 9 9 ASP 10 10 TRP 11 11 LEU 12 12 CYS 13 13 ASN 14 14 LYS 15 15 CYS 16 16 GLY 17 17 VAL 18 18 GLN 19 19 ASN 20 20 PHE 21 21 LYS 22 22 ARG 23 23 ARG 24 24 GLU 25 25 LYS 26 26 CYS 27 27 PHE 28 28 LYS 29 29 CYS 30 30 GLY 31 31 VAL 32 32 PRO 33 33 LYS 34 34 SER 35 35 GLU 36 36 ALA 37 37 GLU 38 38 GLN 39 39 LYS 40 40 LEU 41 41 PRO 42 42 LEU 43 43 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17386 RBM10_ZnF 81.40 41 100.00 100.00 7.10e-16 PDB 2MXV "Nmr Structure Of The First Zinc Finger Domain Of Rbm10" 100.00 43 100.00 100.00 2.65e-22 DBJ BAA09471 "KIAA0122 [Homo sapiens]" 93.02 1010 100.00 100.00 1.51e-20 DBJ BAA12144 "S1-1 protein [Rattus norvegicus]" 93.02 852 100.00 100.00 7.93e-21 DBJ BAC31087 "unnamed protein product [Mus musculus]" 93.02 557 100.00 100.00 6.49e-22 DBJ BAC40753 "unnamed protein product [Mus musculus]" 93.02 853 100.00 100.00 7.94e-21 DBJ BAC65490 "mKIAA0122 protein [Mus musculus]" 93.02 857 100.00 100.00 7.38e-21 EMBL CAD97933 "hypothetical protein [Homo sapiens]" 93.02 995 100.00 100.00 1.07e-20 EMBL CAL37951 "hypothetical protein [synthetic construct]" 93.02 995 100.00 100.00 1.07e-20 GB AAH00681 "RBM10 protein, partial [Homo sapiens]" 93.02 541 100.00 100.00 5.31e-22 GB AAH03089 "RNA binding motif protein 10 [Homo sapiens]" 93.02 852 100.00 100.00 9.27e-21 GB AAH04181 "RNA binding motif protein 10 [Homo sapiens]" 93.02 930 100.00 100.00 8.84e-21 GB AAH04674 "RNA binding motif protein 10 [Mus musculus]" 93.02 930 100.00 100.00 8.18e-21 GB AAH08733 "RNA binding motif protein 10 [Homo sapiens]" 93.02 930 100.00 100.00 8.84e-21 REF NP_001161247 "RNA-binding protein 10 isoform 2 [Mus musculus]" 93.02 929 100.00 100.00 8.49e-21 REF NP_001161248 "RNA-binding protein 10 isoform 3 [Mus musculus]" 93.02 853 100.00 100.00 7.94e-21 REF NP_001191395 "RNA-binding protein 10 isoform 3 [Homo sapiens]" 93.02 853 100.00 100.00 8.42e-21 REF NP_001191396 "RNA-binding protein 10 isoform 4 [Homo sapiens]" 93.02 929 100.00 100.00 8.83e-21 REF NP_001191397 "RNA-binding protein 10 isoform 5 [Homo sapiens]" 93.02 995 100.00 100.00 1.07e-20 SP P70501 "RecName: Full=RNA-binding protein 10; AltName: Full=RNA-binding motif protein 10; AltName: Full=RNA-binding protein S1-1" 93.02 852 100.00 100.00 7.93e-21 SP P98175 "RecName: Full=RNA-binding protein 10; AltName: Full=G patch domain-containing protein 9; AltName: Full=RNA-binding motif protei" 93.02 930 100.00 100.00 8.84e-21 SP Q99KG3 "RecName: Full=RNA-binding protein 10; AltName: Full=RNA-binding motif protein 10" 93.02 930 100.00 100.00 8.18e-21 TPG DAA12902 "TPA: RNA binding motif protein 10 isoform 1 [Bos taurus]" 93.02 995 100.00 100.00 1.68e-20 TPG DAA12903 "TPA: RNA binding motif protein 10 isoform 2 [Bos taurus]" 93.02 852 100.00 100.00 9.36e-21 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . 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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21 DE3 pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-99% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . 'Herrman & Wuthrich' . . stop_ loop_ _Task refinement 'chemical shift assignment' 'peak picking' 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_APSY_4D-HACANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D-HACANH' _Sample_label $sample_1 save_ save_APSY_5D-HACACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-HACACONH' _Sample_label $sample_1 save_ save_APSY_5D-CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-CBCACONH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.0 . pH pressure 1 . atm 'ionic strength' 0.0798 . 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 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 na 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 'APSY 4D-HACANH' 'APSY 5D-HACACONH' 'APSY 5D-CBCACONH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 entity_1 _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 7 7 ASN H H 8.535 0.007 . 2 7 7 ASN HB2 H 2.732 0.007 . 3 7 7 ASN HB3 H 2.830 0.007 . 4 7 7 ASN HD21 H 6.845 0.007 . 5 7 7 ASN HD22 H 7.564 0.007 . 6 7 7 ASN CB C 30.000 0.18 . 7 7 7 ASN N N 121.300 0.12 . 8 7 7 ASN ND2 N 111.451 0.12 . 9 8 8 GLU H H 8.372 0.007 . 10 8 8 GLU HA H 4.440 0.007 . 11 8 8 GLU HB2 H 1.906 0.007 . 12 8 8 GLU HB3 H 2.199 0.007 . 13 8 8 GLU HG2 H 2.166 0.007 . 14 8 8 GLU HG3 H 2.267 0.007 . 15 8 8 GLU C C 175.693 0.18 . 16 8 8 GLU CA C 55.855 0.18 . 17 8 8 GLU CB C 31.029 0.18 . 18 8 8 GLU CG C 36.658 0.18 . 19 8 8 GLU N N 119.801 0.12 . 20 9 9 ASP H H 8.158 0.007 . 21 9 9 ASP HA H 4.727 0.007 . 22 9 9 ASP HB2 H 2.510 0.007 . 23 9 9 ASP HB3 H 2.580 0.007 . 24 9 9 ASP C C 175.618 0.18 . 25 9 9 ASP CA C 54.857 0.18 . 26 9 9 ASP CB C 41.330 0.18 . 27 9 9 ASP N N 120.567 0.12 . 28 10 10 TRP H H 8.476 0.007 . 29 10 10 TRP HA H 5.014 0.007 . 30 10 10 TRP HB2 H 3.283 0.007 . 31 10 10 TRP HB3 H 3.105 0.007 . 32 10 10 TRP HD1 H 7.081 0.007 . 33 10 10 TRP HE1 H 9.678 0.007 . 34 10 10 TRP HE3 H 7.287 0.007 . 35 10 10 TRP HZ2 H 6.676 0.007 . 36 10 10 TRP HZ3 H 6.946 0.007 . 37 10 10 TRP HH2 H 6.758 0.007 . 38 10 10 TRP C C 173.732 0.18 . 39 10 10 TRP CA C 54.037 0.18 . 40 10 10 TRP CB C 31.370 0.18 . 41 10 10 TRP CD1 C 125.275 0.18 . 42 10 10 TRP CE3 C 118.065 0.18 . 43 10 10 TRP CZ2 C 110.966 0.18 . 44 10 10 TRP CZ3 C 118.400 0.18 . 45 10 10 TRP CH2 C 120.669 0.18 . 46 10 10 TRP N N 116.757 0.12 . 47 10 10 TRP NE1 N 128.795 0.12 . 48 11 11 LEU H H 8.810 0.007 . 49 11 11 LEU HA H 4.519 0.007 . 50 11 11 LEU HB3 H 1.496 0.007 . 51 11 11 LEU HG H 1.326 0.007 . 52 11 11 LEU HD1 H 0.702 0.007 . 53 11 11 LEU HD2 H 0.737 0.007 . 54 11 11 LEU C C 176.547 0.18 . 55 11 11 LEU CA C 53.317 0.18 . 56 11 11 LEU CB C 43.660 0.18 . 57 11 11 LEU CG C 26.929 0.18 . 58 11 11 LEU CD1 C 24.178 0.18 . 59 11 11 LEU CD2 C 24.729 0.18 . 60 11 11 LEU N N 122.486 0.12 . 61 12 12 CYS H H 8.574 0.007 . 62 12 12 CYS HA H 4.587 0.007 . 63 12 12 CYS HB2 H 3.027 0.007 . 64 12 12 CYS HB3 H 2.573 0.007 . 65 12 12 CYS C C 177.636 0.18 . 66 12 12 CYS CA C 59.506 0.18 . 67 12 12 CYS CB C 31.330 0.18 . 68 12 12 CYS N N 126.739 0.12 . 69 13 13 ASN H H 9.229 0.007 . 70 13 13 ASN HA H 4.534 0.007 . 71 13 13 ASN HB2 H 2.895 0.007 . 72 13 13 ASN HB3 H 2.795 0.007 . 73 13 13 ASN HD21 H 6.883 0.007 . 74 13 13 ASN HD22 H 7.513 0.007 . 75 13 13 ASN C C 175.471 0.18 . 76 13 13 ASN CA C 54.972 0.18 . 77 13 13 ASN CB C 38.776 0.18 . 78 13 13 ASN N N 127.516 0.12 . 79 13 13 ASN ND2 N 111.204 0.12 . 80 14 14 LYS H H 9.274 0.007 . 81 14 14 LYS HA H 4.359 0.007 . 82 14 14 LYS HB2 H 1.966 0.007 . 83 14 14 LYS HG2 H 1.435 0.007 . 84 14 14 LYS HG3 H 1.466 0.007 . 85 14 14 LYS HD2 H 1.645 0.007 . 86 14 14 LYS HD3 H 1.645 0.007 . 87 14 14 LYS HE2 H 2.931 0.007 . 88 14 14 LYS HE3 H 2.931 0.007 . 89 14 14 LYS C C 178.199 0.18 . 90 14 14 LYS CA C 57.428 0.18 . 91 14 14 LYS CB C 32.706 0.18 . 92 14 14 LYS CG C 24.750 0.18 . 93 14 14 LYS CD C 29.129 0.18 . 94 14 14 LYS CE C 42.150 0.18 . 95 14 14 LYS N N 120.919 0.12 . 96 15 15 CYS H H 9.014 0.007 . 97 15 15 CYS HA H 4.722 0.007 . 98 15 15 CYS HB2 H 2.543 0.007 . 99 15 15 CYS HB3 H 2.995 0.007 . 100 15 15 CYS CB C 32.353 0.18 . 101 15 15 CYS N N 119.236 0.12 . 102 16 16 GLY H H 7.817 0.007 . 103 16 16 GLY HA2 H 3.830 0.007 . 104 16 16 GLY HA3 H 4.064 0.007 . 105 16 16 GLY CA C 46.295 0.18 . 106 16 16 GLY N N 110.235 0.12 . 107 17 17 VAL H H 8.220 0.007 . 108 17 17 VAL HA H 4.250 0.007 . 109 17 17 VAL HB H 2.075 0.007 . 110 17 17 VAL HG1 H 0.663 0.007 . 111 17 17 VAL HG2 H 0.717 0.007 . 112 17 17 VAL CA C 61.124 0.18 . 113 17 17 VAL CB C 33.392 0.18 . 114 17 17 VAL CG1 C 22.057 0.18 . 115 17 17 VAL CG2 C 22.050 0.18 . 116 17 17 VAL N N 121.337 0.12 . 117 18 18 GLN H H 8.218 0.007 . 118 18 18 GLN HA H 4.353 0.007 . 119 18 18 GLN HB2 H 1.750 0.007 . 120 18 18 GLN HB3 H 1.785 0.007 . 121 18 18 GLN HG2 H 2.003 0.007 . 122 18 18 GLN HE21 H 7.511 0.007 . 123 18 18 GLN HE22 H 6.680 0.007 . 124 18 18 GLN C C 174.823 0.18 . 125 18 18 GLN CA C 55.308 0.18 . 126 18 18 GLN CB C 29.505 0.18 . 127 18 18 GLN CG C 34.009 0.18 . 128 18 18 GLN N N 121.310 0.12 . 129 18 18 GLN NE2 N 110.535 0.12 . 130 19 19 ASN H H 9.041 0.007 . 131 19 19 ASN HA H 4.490 0.007 . 132 19 19 ASN HB2 H 1.401 0.007 . 133 19 19 ASN HB3 H 0.238 0.007 . 134 19 19 ASN HD21 H 7.842 0.007 . 135 19 19 ASN HD22 H 7.842 0.007 . 136 19 19 ASN C C 173.360 0.18 . 137 19 19 ASN CA C 52.058 0.18 . 138 19 19 ASN CB C 43.372 0.18 . 139 19 19 ASN N N 122.482 0.12 . 140 19 19 ASN ND2 N 117.529 0.12 . 141 20 20 PHE H H 7.846 0.007 . 142 20 20 PHE HA H 4.658 0.007 . 143 20 20 PHE HB2 H 2.963 0.007 . 144 20 20 PHE HB3 H 3.103 0.007 . 145 20 20 PHE HD1 H 7.313 0.007 . 146 20 20 PHE HD2 H 7.313 0.007 . 147 20 20 PHE C C 176.810 0.18 . 148 20 20 PHE CA C 56.786 0.18 . 149 20 20 PHE CB C 40.003 0.18 . 150 20 20 PHE CD1 C 128.992 0.18 . 151 20 20 PHE CD2 C 128.992 0.18 . 152 20 20 PHE N N 117.484 0.12 . 153 21 21 LYS H H 8.516 0.007 . 154 21 21 LYS HA H 4.128 0.007 . 155 21 21 LYS HB2 H 1.792 0.007 . 156 21 21 LYS HB3 H 1.719 0.007 . 157 21 21 LYS HG2 H 1.164 0.007 . 158 21 21 LYS HG3 H 1.047 0.007 . 159 21 21 LYS HD2 H 1.576 0.007 . 160 21 21 LYS HD3 H 1.576 0.007 . 161 21 21 LYS HE2 H 2.882 0.007 . 162 21 21 LYS HE3 H 2.882 0.007 . 163 21 21 LYS C C 176.254 0.18 . 164 21 21 LYS CA C 58.878 0.18 . 165 21 21 LYS CB C 32.334 0.18 . 166 21 21 LYS CG C 23.813 0.18 . 167 21 21 LYS CD C 29.514 0.18 . 168 21 21 LYS N N 120.464 0.12 . 169 22 22 ARG H H 7.125 0.007 . 170 22 22 ARG HA H 4.229 0.007 . 171 22 22 ARG HB2 H 1.989 0.007 . 172 22 22 ARG HB3 H 1.836 0.007 . 173 22 22 ARG HG2 H 1.564 0.007 . 174 22 22 ARG HD2 H 3.199 0.007 . 175 22 22 ARG C C 176.851 0.18 . 176 22 22 ARG CA C 56.426 0.18 . 177 22 22 ARG CB C 29.732 0.18 . 178 22 22 ARG CG C 27.851 0.18 . 179 22 22 ARG CD C 43.147 0.18 . 180 22 22 ARG N N 112.820 0.12 . 181 23 23 ARG H H 8.349 0.007 . 182 23 23 ARG HA H 4.382 0.007 . 183 23 23 ARG HB2 H 2.173 0.007 . 184 23 23 ARG HG2 H 1.920 0.007 . 185 23 23 ARG HG3 H 1.981 0.007 . 186 23 23 ARG HD2 H 3.531 0.007 . 187 23 23 ARG HD3 H 3.531 0.007 . 188 23 23 ARG C C 177.143 0.18 . 189 23 23 ARG CA C 57.037 0.18 . 190 23 23 ARG CB C 30.944 0.18 . 191 23 23 ARG CG C 28.480 0.18 . 192 23 23 ARG CD C 43.479 0.18 . 193 23 23 ARG N N 119.307 0.12 . 194 24 24 GLU H H 8.967 0.007 . 195 24 24 GLU HA H 4.264 0.007 . 196 24 24 GLU HB2 H 2.183 0.007 . 197 24 24 GLU HB3 H 1.964 0.007 . 198 24 24 GLU HG2 H 2.321 0.007 . 199 24 24 GLU HG3 H 2.321 0.007 . 200 24 24 GLU C C 176.371 0.18 . 201 24 24 GLU CA C 56.975 0.18 . 202 24 24 GLU CB C 30.819 0.18 . 203 24 24 GLU CG C 33.836 0.18 . 204 24 24 GLU N N 120.195 0.12 . 205 25 25 LYS H H 7.862 0.007 . 206 25 25 LYS HA H 4.906 0.007 . 207 25 25 LYS HB2 H 1.546 0.007 . 208 25 25 LYS HB3 H 1.546 0.007 . 209 25 25 LYS HG2 H 1.215 0.007 . 210 25 25 LYS HG3 H 1.215 0.007 . 211 25 25 LYS HE2 H 2.948 0.007 . 212 25 25 LYS HE3 H 2.948 0.007 . 213 25 25 LYS C C 174.820 0.18 . 214 25 25 LYS CA C 54.064 0.18 . 215 25 25 LYS CB C 35.743 0.18 . 216 25 25 LYS CG C 24.456 0.18 . 217 25 25 LYS CE C 42.002 0.18 . 218 25 25 LYS N N 116.632 0.12 . 219 26 26 CYS H H 8.678 0.007 . 220 26 26 CYS HA H 4.181 0.007 . 221 26 26 CYS HB2 H 3.178 0.007 . 222 26 26 CYS HB3 H 2.983 0.007 . 223 26 26 CYS C C 178.895 0.18 . 224 26 26 CYS CA C 59.174 0.18 . 225 26 26 CYS CB C 30.942 0.18 . 226 26 26 CYS N N 124.535 0.12 . 227 27 27 PHE H H 9.344 0.007 . 228 27 27 PHE HA H 4.350 0.007 . 229 27 27 PHE HB2 H 3.289 0.007 . 230 27 27 PHE HB3 H 2.857 0.007 . 231 27 27 PHE HD1 H 7.155 0.007 . 232 27 27 PHE HD2 H 7.155 0.007 . 233 27 27 PHE HE1 H 7.295 0.007 . 234 27 27 PHE HE2 H 7.295 0.007 . 235 27 27 PHE HZ H 7.252 0.007 . 236 27 27 PHE C C 174.408 0.18 . 237 27 27 PHE CA C 59.726 0.18 . 238 27 27 PHE CB C 38.424 0.18 . 239 27 27 PHE CD1 C 129.210 0.18 . 240 27 27 PHE CD2 C 129.214 0.18 . 241 27 27 PHE CE1 C 129.110 0.18 . 242 27 27 PHE CE2 C 129.111 0.18 . 243 27 27 PHE CZ C 127.189 0.18 . 244 27 27 PHE N N 129.286 0.12 . 245 28 28 LYS H H 8.765 0.007 . 246 28 28 LYS HA H 4.063 0.007 . 247 28 28 LYS HB2 H 0.897 0.007 . 248 28 28 LYS HB3 H 2.001 0.007 . 249 28 28 LYS HG2 H 1.029 0.007 . 250 28 28 LYS HG3 H 0.966 0.007 . 251 28 28 LYS C C 177.362 0.18 . 252 28 28 LYS CA C 57.244 0.18 . 253 28 28 LYS CB C 33.310 0.18 . 254 28 28 LYS CG C 25.028 0.18 . 255 28 28 LYS N N 124.525 0.12 . 256 29 29 CYS H H 8.357 0.007 . 257 29 29 CYS HA H 4.797 0.007 . 258 29 29 CYS HB2 H 2.543 0.007 . 259 29 29 CYS HB3 H 3.114 0.007 . 260 29 29 CYS C C 177.501 0.18 . 261 29 29 CYS CA C 58.921 0.18 . 262 29 29 CYS CB C 32.088 0.18 . 263 29 29 CYS N N 117.596 0.12 . 264 30 30 GLY H H 7.519 0.007 . 265 30 30 GLY HA2 H 4.088 0.007 . 266 30 30 GLY HA3 H 3.817 0.007 . 267 30 30 GLY CA C 46.135 0.18 . 268 30 30 GLY N N 110.623 0.12 . 269 31 31 VAL H H 8.120 0.007 . 270 31 31 VAL HA H 4.348 0.007 . 271 31 31 VAL HB H 2.152 0.007 . 272 31 31 VAL HG1 H 1.060 0.007 . 273 31 31 VAL HG2 H 1.107 0.007 . 274 31 31 VAL CA C 61.591 0.18 . 275 31 31 VAL CB C 32.238 0.18 . 276 31 31 VAL CG1 C 23.635 0.18 . 277 31 31 VAL CG2 C 21.464 0.18 . 278 31 31 VAL N N 122.592 0.12 . 279 32 32 PRO HA H 4.650 0.007 . 280 32 32 PRO HB2 H 2.383 0.007 . 281 32 32 PRO HB3 H 1.861 0.007 . 282 32 32 PRO HG2 H 2.093 0.007 . 283 32 32 PRO HG3 H 1.893 0.007 . 284 32 32 PRO HD2 H 3.676 0.007 . 285 32 32 PRO HD3 H 4.037 0.007 . 286 32 32 PRO C C 176.413 0.18 . 287 32 32 PRO CA C 62.772 0.18 . 288 32 32 PRO CB C 32.650 0.18 . 289 32 32 PRO CG C 27.996 0.18 . 290 32 32 PRO CD C 51.630 0.18 . 291 33 33 LYS H H 7.956 0.007 . 292 33 33 LYS HA H 3.109 0.007 . 293 33 33 LYS HB2 H 0.595 0.007 . 294 33 33 LYS HB3 H 0.921 0.007 . 295 33 33 LYS HG2 H 0.492 0.007 . 296 33 33 LYS HG3 H -0.512 0.007 . 297 33 33 LYS HE2 H 2.173 0.007 . 298 33 33 LYS HE3 H 2.267 0.007 . 299 33 33 LYS C C 176.726 0.18 . 300 33 33 LYS CA C 58.359 0.18 . 301 33 33 LYS CB C 32.700 0.18 . 302 33 33 LYS CG C 23.627 0.18 . 303 33 33 LYS CE C 41.765 0.18 . 304 33 33 LYS N N 122.957 0.12 . 305 34 34 SER H H 8.139 0.007 . 306 34 34 SER HA H 4.138 0.007 . 307 34 34 SER HB2 H 3.790 0.007 . 308 34 34 SER HB3 H 3.736 0.007 . 309 34 34 SER C C 175.141 0.18 . 310 34 34 SER CA C 59.160 0.18 . 311 34 34 SER CB C 62.820 0.18 . 312 34 34 SER N N 112.323 0.12 . 313 35 35 GLU H H 7.750 0.007 . 314 35 35 GLU HA H 4.251 0.007 . 315 35 35 GLU HB2 H 2.004 0.007 . 316 35 35 GLU HB3 H 1.857 0.007 . 317 35 35 GLU HG2 H 2.141 0.007 . 318 35 35 GLU HG3 H 2.235 0.007 . 319 35 35 GLU C C 176.796 0.18 . 320 35 35 GLU CA C 56.589 0.18 . 321 35 35 GLU CB C 30.584 0.18 . 322 35 35 GLU CG C 36.401 0.18 . 323 35 35 GLU N N 120.171 0.12 . 324 36 36 ALA H H 8.216 0.007 . 325 36 36 ALA HA H 4.272 0.007 . 326 36 36 ALA HB H 1.543 0.007 . 327 36 36 ALA C C 177.942 0.18 . 328 36 36 ALA CA C 52.881 0.18 . 329 36 36 ALA CB C 20.587 0.18 . 330 36 36 ALA N N 122.364 0.12 . 331 37 37 GLU H H 8.161 0.007 . 332 37 37 GLU HA H 4.353 0.007 . 333 37 37 GLU HB2 H 1.872 0.007 . 334 37 37 GLU HB3 H 1.872 0.007 . 335 37 37 GLU HG2 H 2.183 0.007 . 336 37 37 GLU HG3 H 2.183 0.007 . 337 37 37 GLU C C 176.592 0.18 . 338 37 37 GLU CA C 56.475 0.18 . 339 37 37 GLU CB C 30.170 0.18 . 340 37 37 GLU CG C 35.996 0.18 . 341 37 37 GLU N N 117.040 0.12 . 342 38 38 GLN H H 8.262 0.007 . 343 38 38 GLN HA H 4.254 0.007 . 344 38 38 GLN HB2 H 1.928 0.007 . 345 38 38 GLN HB3 H 2.048 0.007 . 346 38 38 GLN HG2 H 2.078 0.007 . 347 38 38 GLN HG3 H 2.057 0.007 . 348 38 38 GLN HE21 H 7.278 0.007 . 349 38 38 GLN C C 175.615 0.18 . 350 38 38 GLN CA C 55.689 0.18 . 351 38 38 GLN CB C 29.560 0.18 . 352 38 38 GLN CG C 33.345 0.18 . 353 38 38 GLN N N 120.895 0.12 . 354 39 39 LYS H H 8.416 0.007 . 355 39 39 LYS HA H 4.296 0.007 . 356 39 39 LYS HB2 H 1.686 0.007 . 357 39 39 LYS HB3 H 1.767 0.007 . 358 39 39 LYS HG3 H 1.360 0.007 . 359 39 39 LYS C C 176.240 0.18 . 360 39 39 LYS CA C 55.795 0.18 . 361 39 39 LYS CB C 32.981 0.18 . 362 39 39 LYS CG C 24.648 0.18 . 363 39 39 LYS N N 122.996 0.12 . 364 40 40 LEU H H 8.292 0.007 . 365 40 40 LEU HA H 4.575 0.007 . 366 40 40 LEU HB2 H 1.568 0.007 . 367 40 40 LEU HB3 H 1.510 0.007 . 368 40 40 LEU HG H 1.633 0.007 . 369 40 40 LEU HD1 H 0.864 0.007 . 370 40 40 LEU HD2 H 0.864 0.007 . 371 40 40 LEU CA C 52.786 0.18 . 372 40 40 LEU CB C 41.468 0.18 . 373 40 40 LEU CG C 27.035 0.18 . 374 40 40 LEU CD1 C 23.271 0.18 . 375 40 40 LEU N N 123.709 0.12 . 376 41 41 PRO HA H 4.348 0.007 . 377 41 41 PRO HB2 H 2.150 0.007 . 378 41 41 PRO HB3 H 2.150 0.007 . 379 41 41 PRO HG2 H 1.955 0.007 . 380 41 41 PRO HD2 H 3.609 0.007 . 381 41 41 PRO HD3 H 3.746 0.007 . 382 41 41 PRO CA C 61.562 0.18 . 383 41 41 PRO CB C 32.340 0.18 . 384 41 41 PRO CG C 27.338 0.18 . 385 41 41 PRO CD C 50.513 0.18 . 386 43 43 GLY H H 7.855 0.007 . 387 43 43 GLY HA3 H 3.697 0.007 . 388 43 43 GLY CA C 45.954 0.18 . 389 43 43 GLY N N 114.350 0.12 . stop_ save_