data_17133 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments for the RanBP2-type ZnF from Ewing's Sarcoma (EWS) ; _BMRB_accession_number 17133 _BMRB_flat_file_name bmr17133.str _Entry_type original _Submission_date 2010-08-18 _Accession_date 2010-08-18 _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 Leung Wilfred . . 2 Mansfield Robyn E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 152 "13C chemical shifts" 120 "15N chemical shifts" 38 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-24 update BMRB 'update entry citation' 2011-01-25 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Characterization of a Family of RanBP2-Type Zinc Fingers that Can Recognize Single-Stranded RNA.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21256132 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nguyen Cuong D. . 2 Mansfield Robyn E. . 3 Leung Wilfred . . 4 Vaz Paula M. . 5 Loughlin Fionna E. . 6 Grant Richard P. . 7 Mackay Joel P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 407 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 273 _Page_last 283 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name EWS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label EWS $EWS ZN $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_EWS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common EWS _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 39 _Mol_residue_sequence ; GSNVQHRAGDWQCPNPGCGN QNFAWRTECNQCKAPKPEG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ASN 4 VAL 5 GLN 6 HIS 7 ARG 8 ALA 9 GLY 10 ASP 11 TRP 12 GLN 13 CYS 14 PRO 15 ASN 16 PRO 17 GLY 18 CYS 19 GLY 20 ASN 21 GLN 22 ASN 23 PHE 24 ALA 25 TRP 26 ARG 27 THR 28 GLU 29 CYS 30 ASN 31 GLN 32 CYS 33 LYS 34 ALA 35 PRO 36 LYS 37 PRO 38 GLU 39 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 DBJ BAB29301 "unnamed protein product [Mus musculus]" 100.00 333 97.44 97.44 9.24e-19 DBJ BAB31732 "unnamed protein product [Mus musculus]" 100.00 655 97.44 97.44 1.43e-18 DBJ BAB71145 "unnamed protein product [Homo sapiens]" 100.00 661 97.44 97.44 1.36e-18 DBJ BAB71252 "unnamed protein product [Homo sapiens]" 100.00 600 97.44 97.44 1.25e-18 DBJ BAE02261 "unnamed protein product [Macaca fascicularis]" 100.00 655 97.44 97.44 1.49e-18 EMBL CAA47350 "RNA binding protein [Homo sapiens]" 100.00 656 97.44 97.44 1.35e-18 EMBL CAA51489 "EWS [Homo sapiens]" 100.00 656 97.44 97.44 1.35e-18 EMBL CAA55815 "EWS [Mus musculus]" 100.00 655 97.44 97.44 1.41e-18 EMBL CAA69177 "RNA binding protein [Homo sapiens]" 100.00 656 97.44 97.44 1.35e-18 EMBL CAG30376 "EWSR1 [Homo sapiens]" 100.00 655 97.44 97.44 1.40e-18 GB AAH04817 "Ewing sarcoma breakpoint region 1 [Homo sapiens]" 100.00 656 97.44 97.44 1.35e-18 GB AAH11048 "Ewing sarcoma breakpoint region 1 [Homo sapiens]" 100.00 655 97.44 97.44 1.40e-18 GB AAH63928 "hypothetical protein MGC76258 [Xenopus (Silurana) tropicalis]" 82.05 674 100.00 100.00 1.42e-14 GB AAH68226 "Ewing sarcoma breakpoint region 1 [Mus musculus]" 100.00 656 97.44 97.44 1.42e-18 GB AAH72442 "Ewing sarcoma breakpoint region 1 [Homo sapiens]" 100.00 655 97.44 97.44 1.40e-18 PRF 1818357A "EWS gene" 100.00 656 97.44 97.44 1.35e-18 REF NP_001020803 "RNA-binding protein EWS [Rattus norvegicus]" 100.00 655 97.44 97.44 1.33e-18 REF NP_001089902 "uncharacterized protein LOC734969 [Xenopus laevis]" 82.05 667 100.00 100.00 1.49e-14 REF NP_001103270 "RNA-binding protein EWS [Bos taurus]" 100.00 655 97.44 97.44 1.37e-18 REF NP_001156757 "RNA-binding protein EWS isoform 3 [Homo sapiens]" 100.00 655 97.44 97.44 1.40e-18 REF NP_001156758 "RNA-binding protein EWS isoform 4 [Homo sapiens]" 100.00 600 97.44 97.44 1.26e-18 SP Q01844 "RecName: Full=RNA-binding protein EWS; AltName: Full=EWS oncogene; AltName: Full=Ewing sarcoma breakpoint region 1 protein" 100.00 656 97.44 97.44 1.35e-18 SP Q61545 "RecName: Full=RNA-binding protein EWS" 100.00 655 97.44 97.44 1.43e-18 TPG DAA20531 "TPA: Ewing sarcoma breakpoint region 1 [Bos taurus]" 100.00 655 97.44 97.44 1.37e-18 stop_ 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 no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; 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 $EWS Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $EWS 'recombinant technology' . Escherichia coli . pGEX-2T 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 $EWS 0.5 mM '[U-100% 13C; U-100% 15N]' D2O 5 % 'natural abundance' DSS 20 uM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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 'ionic strength' 0.1 . M pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HBHA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D C(CO)NH' 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 EWS _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 ASN HA H 4.694 0.002 1 2 3 3 ASN HB2 H 2.745 0.001 2 3 3 3 ASN HD21 H 7.587 0.003 2 4 3 3 ASN HD22 H 6.914 0.003 2 5 3 3 ASN C C 175.170 0.000 . 6 3 3 ASN CA C 53.321 0.013 1 7 3 3 ASN CB C 38.686 0.016 1 8 3 3 ASN ND2 N 113.119 0.001 1 9 4 4 VAL H H 8.088 0.001 1 10 4 4 VAL HA H 4.021 0.001 1 11 4 4 VAL HB H 1.970 0.006 1 12 4 4 VAL HG1 H 0.805 0.000 . 13 4 4 VAL HG2 H 0.847 0.000 . 14 4 4 VAL C C 175.969 0.000 . 15 4 4 VAL CA C 62.419 0.021 1 16 4 4 VAL CB C 32.753 0.042 1 17 4 4 VAL N N 120.551 0.012 1 18 5 5 GLN H H 8.417 0.001 1 19 5 5 GLN HE21 H 7.503 0.002 2 20 5 5 GLN HE22 H 6.845 0.002 2 21 5 5 GLN CA C 55.774 0.000 1 22 5 5 GLN CB C 29.496 0.024 1 23 5 5 GLN CG C 33.859 0.055 1 24 5 5 GLN N N 124.113 0.018 1 25 5 5 GLN NE2 N 112.617 0.000 1 26 7 7 ARG HA H 4.320 0.007 1 27 7 7 ARG HB2 H 1.821 0.003 2 28 7 7 ARG HB3 H 1.718 0.005 2 29 7 7 ARG HD2 H 3.186 0.000 2 30 7 7 ARG HD3 H 3.186 0.000 2 31 7 7 ARG HG2 H 1.562 0.006 2 32 7 7 ARG HG3 H 1.562 0.006 2 33 7 7 ARG C C 175.775 0.000 . 34 7 7 ARG CA C 55.703 0.093 1 35 7 7 ARG CB C 31.068 0.009 1 36 7 7 ARG CD C 43.373 0.000 1 37 7 7 ARG CG C 27.108 0.000 1 38 8 8 ALA H H 8.430 0.002 1 39 8 8 ALA HA H 4.279 0.005 1 40 8 8 ALA HB H 1.383 0.008 1 41 8 8 ALA C C 178.199 0.000 . 42 8 8 ALA CA C 52.931 0.068 1 43 8 8 ALA CB C 19.278 0.036 1 44 8 8 ALA N N 125.929 0.026 1 45 9 9 GLY H H 8.512 0.002 1 46 9 9 GLY HA2 H 3.992 0.000 2 47 9 9 GLY HA3 H 3.975 0.000 2 48 9 9 GLY C C 174.091 0.000 . 49 9 9 GLY CA C 45.224 0.022 1 50 9 9 GLY N N 109.335 0.014 1 51 10 10 ASP H H 8.042 0.001 1 52 10 10 ASP HA H 4.677 0.009 1 53 10 10 ASP HB2 H 2.458 0.006 2 54 10 10 ASP HB3 H 2.458 0.006 2 55 10 10 ASP C C 176.104 0.000 . 56 10 10 ASP CA C 55.323 0.074 1 57 10 10 ASP CB C 40.890 0.011 1 58 10 10 ASP N N 122.516 0.009 1 59 11 11 TRP H H 8.719 0.002 1 60 11 11 TRP HA H 5.021 0.005 1 61 11 11 TRP HB2 H 3.050 0.044 2 62 11 11 TRP HB3 H 3.091 0.026 2 63 11 11 TRP C C 173.747 0.000 . 64 11 11 TRP CA C 53.713 0.092 1 65 11 11 TRP CB C 31.020 0.029 1 66 11 11 TRP N N 118.317 0.010 1 67 12 12 GLN H H 8.853 0.001 1 68 12 12 GLN HA H 4.229 0.006 1 69 12 12 GLN HB2 H 1.856 0.002 2 70 12 12 GLN HB3 H 1.871 0.000 2 71 12 12 GLN HE21 H 7.528 0.001 2 72 12 12 GLN HE22 H 6.714 0.002 2 73 12 12 GLN HG2 H 2.188 0.010 2 74 12 12 GLN HG3 H 1.988 0.000 2 75 12 12 GLN C C 175.169 0.000 . 76 12 12 GLN CA C 54.672 0.062 1 77 12 12 GLN CB C 29.663 0.040 1 78 12 12 GLN CG C 33.706 0.029 1 79 12 12 GLN N N 123.609 0.013 1 80 12 12 GLN NE2 N 111.892 0.001 1 81 13 13 CYS H H 8.691 0.002 1 82 13 13 CYS CA C 57.817 0.000 1 83 13 13 CYS CB C 32.234 0.000 1 84 13 13 CYS N N 131.754 0.024 1 85 14 14 PRO HA H 4.578 0.011 1 86 14 14 PRO HB2 H 2.171 0.000 2 87 14 14 PRO HB3 H 2.156 0.000 2 88 14 14 PRO HG2 H 1.925 0.002 2 89 14 14 PRO HG3 H 2.088 0.001 2 90 14 14 PRO C C 176.650 0.000 . 91 14 14 PRO CA C 63.447 0.095 1 92 14 14 PRO CB C 32.270 0.001 1 93 14 14 PRO CD C 51.615 0.000 1 94 14 14 PRO CG C 26.459 0.007 1 95 15 15 ASN H H 9.095 0.002 1 96 15 15 ASN HD21 H 8.058 0.001 2 97 15 15 ASN HD22 H 7.135 0.002 2 98 15 15 ASN CA C 51.359 0.041 1 99 15 15 ASN CB C 39.047 0.062 1 100 15 15 ASN N N 126.912 0.026 1 101 15 15 ASN ND2 N 114.326 0.001 1 102 16 16 PRO HA H 4.250 0.007 1 103 16 16 PRO HB2 H 2.272 0.009 2 104 16 16 PRO HB3 H 1.901 0.010 2 105 16 16 PRO HG2 H 2.035 0.000 2 106 16 16 PRO HG3 H 2.035 0.000 2 107 16 16 PRO C C 177.818 0.000 . 108 16 16 PRO CA C 64.444 0.021 1 109 16 16 PRO CB C 31.805 0.028 1 110 16 16 PRO CD C 51.457 0.000 1 111 16 16 PRO CG C 27.375 0.000 1 112 17 17 GLY H H 8.193 0.002 1 113 17 17 GLY C C 172.981 0.000 . 114 17 17 GLY CA C 45.244 0.096 1 115 17 17 GLY N N 107.542 0.031 1 116 18 18 CYS H H 7.951 0.003 1 117 18 18 CYS HA H 4.411 0.006 1 118 18 18 CYS HB2 H 2.582 0.007 2 119 18 18 CYS HB3 H 3.107 0.007 2 120 18 18 CYS C C 175.905 0.000 . 121 18 18 CYS CA C 59.966 0.024 1 122 18 18 CYS CB C 31.078 0.021 1 123 18 18 CYS N N 123.673 0.027 1 124 19 19 GLY H H 7.727 0.001 1 125 19 19 GLY HA2 H 3.946 0.000 2 126 19 19 GLY HA3 H 3.950 0.000 2 127 19 19 GLY C C 173.781 0.000 . 128 19 19 GLY CA C 46.194 0.000 1 129 19 19 GLY N N 104.382 0.014 1 130 20 20 ASN H H 8.438 0.001 1 131 20 20 ASN HA H 4.256 0.006 1 132 20 20 ASN HB2 H 2.506 0.005 2 133 20 20 ASN HB3 H 2.581 0.002 2 134 20 20 ASN HD21 H 6.877 0.002 2 135 20 20 ASN HD22 H 6.837 0.000 2 136 20 20 ASN C C 173.846 0.000 . 137 20 20 ASN CA C 54.713 0.070 1 138 20 20 ASN CB C 40.944 0.085 1 139 20 20 ASN N N 121.355 0.034 1 140 20 20 ASN ND2 N 117.192 0.001 1 141 21 21 GLN H H 7.963 0.008 1 142 21 21 GLN HA H 4.170 0.005 1 143 21 21 GLN HB2 H 1.663 0.005 2 144 21 21 GLN HB3 H 2.059 0.000 2 145 21 21 GLN HE21 H 7.360 0.003 2 146 21 21 GLN HE22 H 6.586 0.004 2 147 21 21 GLN HG2 H 2.037 0.000 2 148 21 21 GLN C C 174.536 0.000 . 149 21 21 GLN CA C 55.092 0.160 1 150 21 21 GLN CB C 28.650 0.031 1 151 21 21 GLN CG C 33.014 0.087 1 152 21 21 GLN N N 123.551 0.030 1 153 21 21 GLN NE2 N 110.545 0.000 1 154 22 22 ASN H H 8.506 0.002 1 155 22 22 ASN HA H 4.277 0.001 1 156 22 22 ASN HB2 H 1.240 0.004 2 157 22 22 ASN HB3 H 1.240 0.004 2 158 22 22 ASN C C 173.441 0.000 . 159 22 22 ASN CA C 52.247 0.011 1 160 22 22 ASN CB C 43.281 0.007 1 161 22 22 ASN N N 122.428 0.020 1 162 23 23 PHE H H 6.764 0.001 1 163 23 23 PHE HA H 4.458 0.006 1 164 23 23 PHE HB2 H 2.480 0.006 2 165 23 23 PHE HB3 H 1.402 0.007 2 166 23 23 PHE C C 177.540 0.000 . 167 23 23 PHE CA C 56.490 0.033 1 168 23 23 PHE CB C 39.376 0.077 1 169 23 23 PHE N N 116.962 0.013 1 170 24 24 ALA H H 9.003 0.001 1 171 24 24 ALA HA H 4.103 0.008 1 172 24 24 ALA HB H 1.502 0.007 1 173 24 24 ALA C C 177.500 0.000 . 174 24 24 ALA CA C 55.605 0.073 1 175 24 24 ALA CB C 20.085 0.006 1 176 24 24 ALA N N 122.209 0.036 1 177 25 25 TRP H H 6.727 0.001 1 178 25 25 TRP HA H 4.518 0.005 1 179 25 25 TRP HB2 H 3.601 0.009 2 180 25 25 TRP HB3 H 3.202 0.010 2 181 25 25 TRP C C 177.307 0.000 . 182 25 25 TRP CA C 55.775 0.105 1 183 25 25 TRP CB C 28.282 0.037 1 184 25 25 TRP N N 108.574 0.008 1 185 26 26 ARG H H 7.763 0.001 1 186 26 26 ARG HA H 4.421 0.004 1 187 26 26 ARG HB2 H 1.826 0.004 2 188 26 26 ARG HB3 H 1.963 0.005 2 189 26 26 ARG HD2 H 3.165 0.008 2 190 26 26 ARG HD3 H 3.165 0.008 2 191 26 26 ARG HG2 H 1.098 0.006 2 192 26 26 ARG HG3 H 1.098 0.006 2 193 26 26 ARG C C 177.156 0.000 . 194 26 26 ARG CA C 56.847 0.067 1 195 26 26 ARG CB C 30.286 0.008 1 196 26 26 ARG CD C 43.426 0.031 1 197 26 26 ARG CG C 27.882 0.000 1 198 26 26 ARG N N 122.872 0.010 1 199 27 27 THR H H 8.780 0.003 1 200 27 27 THR HA H 4.458 0.008 1 201 27 27 THR HB H 4.143 0.001 1 202 27 27 THR HG2 H 1.231 0.000 . 203 27 27 THR C C 174.538 0.000 . 204 27 27 THR CA C 62.395 0.063 1 205 27 27 THR CB C 68.765 0.011 1 206 27 27 THR CG2 C 22.283 0.000 . 207 27 27 THR N N 112.201 0.025 1 208 28 28 GLU H H 7.711 0.003 1 209 28 28 GLU HA H 5.120 0.001 1 210 28 28 GLU HB2 H 1.654 0.001 2 211 28 28 GLU HB3 H 1.921 0.004 2 212 28 28 GLU HG2 H 2.070 0.000 2 213 28 28 GLU C C 174.611 0.000 . 214 28 28 GLU CA C 54.117 0.011 1 215 28 28 GLU CB C 32.578 0.008 1 216 28 28 GLU CG C 35.112 0.000 1 217 28 28 GLU N N 119.548 0.036 1 218 29 29 CYS H H 9.676 0.001 1 219 29 29 CYS HA H 3.956 0.004 1 220 29 29 CYS HB2 H 3.279 0.006 2 221 29 29 CYS HB3 H 3.062 0.007 2 222 29 29 CYS C C 178.264 0.000 . 223 29 29 CYS CA C 58.722 0.145 1 224 29 29 CYS CB C 30.967 0.008 1 225 29 29 CYS N N 126.419 0.020 1 226 30 30 ASN H H 8.525 0.001 1 227 30 30 ASN HA H 4.405 0.006 1 228 30 30 ASN HB2 H 2.723 0.004 2 229 30 30 ASN HB3 H 2.473 0.006 2 230 30 30 ASN HD21 H 7.525 0.003 2 231 30 30 ASN HD22 H 6.948 0.003 2 232 30 30 ASN C C 174.913 0.000 . 233 30 30 ASN CA C 56.017 0.053 1 234 30 30 ASN CB C 38.729 0.060 1 235 30 30 ASN N N 127.313 0.012 1 236 30 30 ASN ND2 N 113.138 0.002 1 237 31 31 GLN H H 9.065 0.002 1 238 31 31 GLN HA H 4.366 0.006 1 239 31 31 GLN HB2 H 2.020 0.006 2 240 31 31 GLN HB3 H 1.761 0.006 2 241 31 31 GLN HE21 H 7.352 0.003 2 242 31 31 GLN HE22 H 6.801 0.003 2 243 31 31 GLN HG2 H 2.180 0.011 2 244 31 31 GLN HG3 H 2.168 0.000 2 245 31 31 GLN C C 176.652 0.000 . 246 31 31 GLN CA C 57.543 0.047 1 247 31 31 GLN CB C 30.330 0.049 1 248 31 31 GLN CG C 33.507 0.075 1 249 31 31 GLN N N 120.707 0.007 1 250 31 31 GLN NE2 N 112.454 0.000 1 251 32 32 CYS H H 8.102 0.002 1 252 32 32 CYS HA H 4.906 0.005 1 253 32 32 CYS HB2 H 3.115 0.007 2 254 32 32 CYS HB3 H 2.648 0.009 2 255 32 32 CYS C C 176.384 0.000 . 256 32 32 CYS CA C 59.064 0.136 1 257 32 32 CYS CB C 31.993 0.032 1 258 32 32 CYS N N 118.378 0.029 1 259 33 33 LYS H H 7.716 0.003 1 260 33 33 LYS HA H 4.066 0.006 1 261 33 33 LYS HB2 H 2.038 0.051 2 262 33 33 LYS HB3 H 2.094 0.042 2 263 33 33 LYS HD2 H 1.599 0.000 2 264 33 33 LYS HG2 H 1.300 0.000 2 265 33 33 LYS HG3 H 1.246 0.000 2 266 33 33 LYS C C 174.898 0.000 . 267 33 33 LYS CA C 58.636 0.054 1 268 33 33 LYS CB C 29.600 0.005 1 269 33 33 LYS CD C 28.921 0.000 1 270 33 33 LYS CE C 42.351 0.000 1 271 33 33 LYS CG C 25.476 0.000 1 272 33 33 LYS N N 117.253 0.004 1 273 34 34 ALA H H 9.013 0.001 1 274 34 34 ALA CA C 51.967 0.000 1 275 34 34 ALA CB C 18.870 0.000 1 276 34 34 ALA N N 127.711 0.015 1 277 35 35 PRO HA H 4.520 0.000 1 278 35 35 PRO HB2 H 2.298 0.000 2 279 35 35 PRO HB3 H 1.750 0.000 2 280 35 35 PRO C C 175.794 0.000 . 281 35 35 PRO CA C 62.365 0.033 1 282 35 35 PRO CB C 32.238 0.023 1 283 35 35 PRO CD C 50.420 0.000 1 284 35 35 PRO CG C 27.456 0.000 1 285 36 36 LYS H H 7.293 0.002 1 286 36 36 LYS CA C 54.281 0.000 1 287 36 36 LYS CB C 33.552 0.000 1 288 36 36 LYS N N 123.246 0.029 1 289 37 37 PRO HA H 4.238 0.004 1 290 37 37 PRO HB2 H 2.187 0.010 2 291 37 37 PRO HB3 H 1.793 0.006 2 292 37 37 PRO C C 176.453 0.000 . 293 37 37 PRO CA C 62.873 0.034 1 294 37 37 PRO CB C 32.260 0.013 1 295 37 37 PRO CD C 51.391 0.000 1 296 37 37 PRO CG C 27.332 0.000 1 297 38 38 GLU H H 8.392 0.002 1 298 38 38 GLU HA H 4.124 0.007 1 299 38 38 GLU HB2 H 1.955 0.007 2 300 38 38 GLU HB3 H 1.810 0.007 2 301 38 38 GLU HG2 H 2.175 0.014 2 302 38 38 GLU HG3 H 2.149 0.000 2 303 38 38 GLU C C 175.941 0.000 . 304 38 38 GLU CA C 56.483 0.129 1 305 38 38 GLU CB C 30.762 0.026 1 306 38 38 GLU CG C 36.316 0.043 1 307 38 38 GLU N N 122.675 0.018 1 308 39 39 GLY H H 7.937 0.005 1 309 39 39 GLY CA C 46.212 0.000 1 310 39 39 GLY N N 116.349 0.025 1 stop_ save_