data_18688 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone amide chemical shifts of gp78 RING bound to Ube2g2:G2BR ; _BMRB_accession_number 18688 _BMRB_flat_file_name bmr18688.str _Entry_type original _Submission_date 2012-08-30 _Accession_date 2012-08-30 _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 Das Ranabir . . 2 Linag Yuhe . . 3 Mariano Jennifer . . 4 Li Jess . . 5 Huang Tao . . 6 King Aaren . . 7 Weissman Allan . . 8 Ji Xinhua . . 9 Byrd 'R. Andrew' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 55 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-19 update BMRB 'update entry citation' 2013-08-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23942235 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Das Ranabir . . 2 Liang Yu-He . . 3 Mariano Jennifer . . 4 Li Jess . . 5 Huang Tao . . 6 King Aaren . . 7 Tarasov Sergey G. . 8 Weissman Allan M. . 9 Ji Xinhua . . 10 Byrd 'R. Andrew' . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_name_full 'The EMBO journal' _Journal_volume 32 _Journal_issue 18 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2504 _Page_last 2516 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'gp78 RING bound to Ube2g2:G2BR' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 entity_3 $entity_3 'ZINC ION_1' $entity_ZN 'ZINC ION_2' $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 17556.293 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 156 _Mol_residue_sequence ; AGTALKRLMAEYKQLTLNPP EGIVAGPMNEENFFEWEALI MGPEDTCFEFGVFPAILSFP LDYPLSPPKMRFTCEMFHPN IYPDGRVCISILHAPGSAER WSPVQSVEKILLSVVSMLAE PNDESGANVDASKMWRDDRE QFYKIAKQIVQKSLGL ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLY 3 THR 4 ALA 5 LEU 6 LYS 7 ARG 8 LEU 9 MET 10 ALA 11 GLU 12 TYR 13 LYS 14 GLN 15 LEU 16 THR 17 LEU 18 ASN 19 PRO 20 PRO 21 GLU 22 GLY 23 ILE 24 VAL 25 ALA 26 GLY 27 PRO 28 MET 29 ASN 30 GLU 31 GLU 32 ASN 33 PHE 34 PHE 35 GLU 36 TRP 37 GLU 38 ALA 39 LEU 40 ILE 41 MET 42 GLY 43 PRO 44 GLU 45 ASP 46 THR 47 CYS 48 PHE 49 GLU 50 PHE 51 GLY 52 VAL 53 PHE 54 PRO 55 ALA 56 ILE 57 LEU 58 SER 59 PHE 60 PRO 61 LEU 62 ASP 63 TYR 64 PRO 65 LEU 66 SER 67 PRO 68 PRO 69 LYS 70 MET 71 ARG 72 PHE 73 THR 74 CYS 75 GLU 76 MET 77 PHE 78 HIS 79 PRO 80 ASN 81 ILE 82 TYR 83 PRO 84 ASP 85 GLY 86 ARG 87 VAL 88 CYS 89 ILE 90 SER 91 ILE 92 LEU 93 HIS 94 ALA 95 PRO 96 GLY 97 SER 98 ALA 99 GLU 100 ARG 101 TRP 102 SER 103 PRO 104 VAL 105 GLN 106 SER 107 VAL 108 GLU 109 LYS 110 ILE 111 LEU 112 LEU 113 SER 114 VAL 115 VAL 116 SER 117 MET 118 LEU 119 ALA 120 GLU 121 PRO 122 ASN 123 ASP 124 GLU 125 SER 126 GLY 127 ALA 128 ASN 129 VAL 130 ASP 131 ALA 132 SER 133 LYS 134 MET 135 TRP 136 ARG 137 ASP 138 ASP 139 ARG 140 GLU 141 GLN 142 PHE 143 TYR 144 LYS 145 ILE 146 ALA 147 LYS 148 GLN 149 ILE 150 VAL 151 GLN 152 LYS 153 SER 154 LEU 155 GLY 156 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value REF XP_007486190 "PREDICTED: ubiquitin-conjugating enzyme E2 G2 isoform X2 [Monodelphis domestica]" 51.28 150 100.00 100.00 3.79e-50 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 3365.939 _Mol_thiol_state 'not present' _Details . _Residue_count 27 _Mol_residue_sequence ; SADERQRMLVQRKDELLQQA RKRFLNK ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 ASP 4 GLU 5 ARG 6 GLN 7 ARG 8 MET 9 LEU 10 VAL 11 GLN 12 ARG 13 LYS 14 ASP 15 GLU 16 LEU 17 LEU 18 GLN 19 GLN 20 ALA 21 ARG 22 LYS 23 ARG 24 PHE 25 LEU 26 ASN 27 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LXP "Nmr Structure Of Two Domains In Ubiquitin Ligase Gp78, Ring And G2br, Bound To Its Conjugating Enzyme Ube2g" 100.00 27 100.00 100.00 5.47e-08 PDB 3FSH "Crystal Structure Of The Ubiquitin Conjugating Enzyme Ube2g2 Bound To The G2br Domain Of Ubiquitin Ligase Gp78" 100.00 28 100.00 100.00 4.74e-08 PDB 3H8K "Crystal Structure Of Ube2g2 Complxed With The G2br Domain Of Gp78 At 1.8-A Resolution" 100.00 28 100.00 100.00 5.00e-08 PDB 4LAD "Crystal Structure Of The Ube2g2:ring-g2br Complex" 100.00 150 100.00 100.00 8.69e-10 DBJ BAE01277 "unnamed protein product [Macaca fascicularis]" 100.00 552 100.00 100.00 3.17e-07 DBJ BAK63135 "autocrine motility factor receptor, isoform 2 [Pan troglodytes]" 100.00 548 100.00 100.00 3.12e-07 GB AAA36671 "autocrine motility factor receptor [Homo sapiens]" 62.96 323 100.00 100.00 5.62e-02 GB AAA79362 "autocrine motility factor receptor [Homo sapiens]" 62.96 323 100.00 100.00 5.62e-02 GB AAD56722 "autocrine motility factor receptor [Homo sapiens]" 100.00 643 100.00 100.00 3.57e-07 GB AAH17043 "AMFR protein, partial [Homo sapiens]" 100.00 292 100.00 100.00 1.84e-07 GB AAH56869 "AMFR protein, partial [Homo sapiens]" 100.00 202 100.00 100.00 3.82e-08 REF NP_001135 "E3 ubiquitin-protein ligase AMFR [Homo sapiens]" 100.00 643 100.00 100.00 3.57e-07 REF NP_001267243 "E3 ubiquitin-protein ligase AMFR [Pan troglodytes]" 100.00 548 100.00 100.00 3.12e-07 REF XP_001091030 "PREDICTED: autocrine motility factor receptor, isoform 2 [Macaca mulatta]" 100.00 552 100.00 100.00 3.05e-07 REF XP_002761010 "PREDICTED: E3 ubiquitin-protein ligase AMFR isoform X1 [Callithrix jacchus]" 100.00 643 100.00 100.00 2.89e-07 REF XP_003263117 "PREDICTED: E3 ubiquitin-protein ligase AMFR [Nomascus leucogenys]" 100.00 580 100.00 100.00 3.34e-07 SP Q9UKV5 "RecName: Full=E3 ubiquitin-protein ligase AMFR; AltName: Full=Autocrine motility factor receptor; Short=AMF receptor; AltName: " 100.00 643 100.00 100.00 3.57e-07 stop_ save_ save_entity_3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_3 _Molecular_mass 6473.385 _Mol_thiol_state 'all other bound' _Details . _Residue_count 58 _Mol_residue_sequence ; AVATPEELAVNNDDCAICWD SMQAARKLPCGHLFHNSCLR SWLEQDTSCPTCRMSLNI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 327 ALA 2 328 VAL 3 329 ALA 4 330 THR 5 331 PRO 6 332 GLU 7 333 GLU 8 334 LEU 9 335 ALA 10 336 VAL 11 337 ASN 12 338 ASN 13 339 ASP 14 340 ASP 15 341 CYS 16 342 ALA 17 343 ILE 18 344 CYS 19 345 TRP 20 346 ASP 21 347 SER 22 348 MET 23 349 GLN 24 350 ALA 25 351 ALA 26 352 ARG 27 353 LYS 28 354 LEU 29 355 PRO 30 356 CYS 31 357 GLY 32 358 HIS 33 359 LEU 34 360 PHE 35 361 HIS 36 362 ASN 37 363 SER 38 364 CYS 39 365 LEU 40 366 ARG 41 367 SER 42 368 TRP 43 369 LEU 44 370 GLU 45 371 GLN 46 372 ASP 47 373 THR 48 374 SER 49 375 CYS 50 376 PRO 51 377 THR 52 378 CYS 53 379 ARG 54 380 MET 55 381 SER 56 382 LEU 57 383 ASN 58 384 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18677 gp78RING 100.00 58 100.00 100.00 3.33e-34 PDB 2LXH "Nmr Structure Of The Ring Domain In Ubiquitin Ligase Gp78" 100.00 81 100.00 100.00 1.10e-34 PDB 2LXP "Nmr Structure Of Two Domains In Ubiquitin Ligase Gp78, Ring And G2br, Bound To Its Conjugating Enzyme Ube2g" 100.00 58 100.00 100.00 3.33e-34 PDB 4LAD "Crystal Structure Of The Ube2g2:ring-g2br Complex" 100.00 150 100.00 100.00 1.09e-36 DBJ BAE01277 "unnamed protein product [Macaca fascicularis]" 100.00 552 100.00 100.00 4.97e-33 DBJ BAE34049 "unnamed protein product [Mus musculus]" 100.00 643 100.00 100.00 1.43e-32 DBJ BAE41974 "unnamed protein product [Mus musculus]" 100.00 639 100.00 100.00 1.45e-32 DBJ BAE87377 "unnamed protein product [Macaca fascicularis]" 100.00 291 100.00 100.00 2.25e-33 DBJ BAK63135 "autocrine motility factor receptor, isoform 2 [Pan troglodytes]" 100.00 548 100.00 100.00 3.64e-33 GB AAD56721 "autocrine motility factor receptor [Mus musculus]" 100.00 643 100.00 100.00 1.37e-32 GB AAD56722 "autocrine motility factor receptor [Homo sapiens]" 100.00 643 100.00 100.00 1.36e-32 GB AAH17043 "AMFR protein, partial [Homo sapiens]" 56.90 292 100.00 100.00 1.47e-15 GB AAH34538 "Autocrine motility factor receptor [Mus musculus]" 100.00 639 100.00 100.00 1.45e-32 GB AAH40338 "Autocrine motility factor receptor [Mus musculus]" 100.00 639 100.00 100.00 1.45e-32 REF NP_001039439 "E3 ubiquitin-protein ligase AMFR [Bos taurus]" 100.00 645 100.00 100.00 1.87e-32 REF NP_001135 "E3 ubiquitin-protein ligase AMFR [Homo sapiens]" 100.00 643 100.00 100.00 1.28e-32 REF NP_001267243 "E3 ubiquitin-protein ligase AMFR [Pan troglodytes]" 100.00 548 100.00 100.00 3.64e-33 REF NP_001271666 "uncharacterized protein LOC101925036 precursor [Macaca fascicularis]" 100.00 291 100.00 100.00 2.25e-33 REF NP_035917 "E3 ubiquitin-protein ligase AMFR [Mus musculus]" 100.00 639 100.00 100.00 1.45e-32 SP Q9R049 "RecName: Full=E3 ubiquitin-protein ligase AMFR; AltName: Full=Autocrine motility factor receptor; Short=AMF receptor [Mus muscu" 100.00 643 100.00 100.00 1.43e-32 SP Q9UKV5 "RecName: Full=E3 ubiquitin-protein ligase AMFR; AltName: Full=Autocrine motility factor receptor; Short=AMF receptor; AltName: " 100.00 643 100.00 100.00 1.28e-32 TPG DAA20037 "TPA: autocrine motility factor receptor [Bos taurus]" 100.00 590 100.00 100.00 1.27e-32 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (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 _Vector_name $entity_1 'recombinant technology' . Escherichia coli . pET3a 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 $entity_1 . mM 0.7 1 '[U-100% 13C; U-100% 15N]' TRIS 50 mM . . 'natural abundance' TCEP 2 mM . . 'natural abundance' 'sodium azide' 0.2 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Alexandre Bonvin' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_V600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_V500 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_11 _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 'ionic strength' 0 . M pH 7.2 . 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' 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_3 _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 1 327 1 ALA H H 8.359 0.05 1 2 327 1 ALA N N 126.027 0.2 1 3 328 2 VAL H H 8.328 0.05 1 4 328 2 VAL N N 120.328 0.2 1 5 329 3 ALA H H 8.471 0.05 1 6 329 3 ALA N N 130.69 0.2 1 7 330 4 THR H H 9.272 0.05 1 8 330 4 THR N N 116.661 0.2 1 9 332 6 GLU H H 8.552 0.05 1 10 332 6 GLU N N 118.312 0.2 1 11 333 7 GLU H H 7.774 0.05 1 12 333 7 GLU N N 120.835 0.2 1 13 334 8 LEU H H 8.04 0.05 1 14 334 8 LEU N N 120.482 0.2 1 15 335 9 ALA H H 7.927 0.05 1 16 335 9 ALA N N 122.471 0.2 1 17 336 10 VAL H H 7.521 0.05 1 18 336 10 VAL N N 114.882 0.2 1 19 337 11 ASN H H 7.381 0.05 1 20 337 11 ASN N N 119.41 0.2 1 21 338 12 ASN H H 8.052 0.05 1 22 338 12 ASN N N 117.204 0.2 1 23 339 13 ASP H H 7.732 0.05 1 24 339 13 ASP N N 117.72 0.2 1 25 340 14 ASP H H 8.318 0.05 1 26 340 14 ASP N N 120.515 0.2 1 27 341 15 CYS H H 8.167 0.05 1 28 341 15 CYS N N 124.283 0.2 1 29 342 16 ALA H H 8.739 0.05 1 30 342 16 ALA N N 131.638 0.2 1 31 343 17 ILE H H 8.324 0.05 1 32 343 17 ILE N N 117.904 0.2 1 33 344 18 CYS H H 7.423 0.05 1 34 344 18 CYS N N 116.54 0.2 1 35 345 19 TRP H H 8.328 0.05 1 36 345 19 TRP N N 120.328 0.2 1 37 346 20 ASP H H 8.636 0.05 1 38 346 20 ASP N N 121.122 0.2 1 39 347 21 SER H H 8.57 0.05 1 40 347 21 SER N N 117.041 0.2 1 41 348 22 MET H H 9.047 0.05 1 42 348 22 MET N N 121.175 0.2 1 43 349 23 GLN H H 9.407 0.05 1 44 349 23 GLN N N 123.624 0.2 1 45 350 24 ALA H H 7.715 0.05 1 46 350 24 ALA N N 121.904 0.2 1 47 351 25 ALA H H 9.024 0.05 1 48 351 25 ALA N N 122.33 0.2 1 49 352 26 ARG H H 8.929 0.05 1 50 352 26 ARG N N 119.48 0.2 1 51 353 27 LYS H H 8.798 0.05 1 52 353 27 LYS N N 122.807 0.2 1 53 354 28 LEU H H 8.575 0.05 1 54 354 28 LEU N N 126.556 0.2 1 55 356 30 CYS H H 7.563 0.05 1 56 356 30 CYS N N 113.852 0.2 1 57 357 31 GLY H H 8.28 0.05 1 58 357 31 GLY N N 111.852 0.2 1 59 358 32 HIS H H 7.819 0.05 1 60 358 32 HIS N N 122.877 0.2 1 61 359 33 LEU H H 8.023 0.05 1 62 359 33 LEU N N 122.001 0.2 1 63 360 34 PHE H H 8.007 0.05 1 64 360 34 PHE N N 113.998 0.2 1 65 361 35 HIS H H 7.861 0.05 1 66 361 35 HIS N N 118.074 0.2 1 67 362 36 ASN H H 9.44 0.05 1 68 362 36 ASN N N 121.428 0.2 1 69 363 37 SER H H 8.994 0.05 1 70 363 37 SER N N 113.65 0.2 1 71 364 38 CYS H H 6.757 0.05 1 72 364 38 CYS N N 122.902 0.2 1 73 365 39 LEU H H 8.441 0.05 1 74 365 39 LEU N N 120.437 0.2 1 75 366 40 ARG H H 8.278 0.05 1 76 366 40 ARG N N 119.135 0.2 1 77 367 41 SER H H 7.613 0.05 1 78 367 41 SER N N 112.336 0.2 1 79 368 42 TRP H H 8.375 0.05 1 80 368 42 TRP N N 125.008 0.2 1 81 369 43 LEU H H 8.447 0.05 1 82 369 43 LEU N N 117.157 0.2 1 83 370 44 GLU H H 7.184 0.05 1 84 370 44 GLU N N 116.296 0.2 1 85 371 45 GLN H H 7.487 0.05 1 86 371 45 GLN N N 113.164 0.2 1 87 372 46 ASP H H 7.836 0.05 1 88 372 46 ASP N N 122.188 0.2 1 89 373 47 THR H H 7.805 0.05 1 90 373 47 THR N N 111.687 0.2 1 91 374 48 SER H H 8.205 0.05 1 92 374 48 SER N N 117.61 0.2 1 93 375 49 CYS H H 8.404 0.05 1 94 375 49 CYS N N 122.885 0.2 1 95 377 51 THR H H 8.992 0.05 1 96 377 51 THR N N 116.35 0.2 1 97 378 52 CYS H H 8.549 0.05 1 98 378 52 CYS N N 121.356 0.2 1 99 379 53 ARG H H 7.806 0.05 1 100 379 53 ARG N N 116.035 0.2 1 101 380 54 MET H H 8.025 0.05 1 102 380 54 MET N N 122.001 0.2 1 103 381 55 SER H H 8.784 0.05 1 104 381 55 SER N N 121.461 0.2 1 105 382 56 LEU H H 8.459 0.05 1 106 382 56 LEU N N 125.216 0.2 1 107 383 57 ASN H H 8.416 0.05 1 108 383 57 ASN N N 119.776 0.2 1 109 384 58 ILE H H 8.107 0.05 1 110 384 58 ILE N N 121.407 0.2 1 stop_ save_