data_4890 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H resonance assignments for the N-ter domain of the human TFIIH MAT1 subunit ; _BMRB_accession_number 4890 _BMRB_flat_file_name bmr4890.str _Entry_type original _Submission_date 2000-11-02 _Accession_date 2000-11-02 _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 Gervais V. . . 2 Wasielewski E. . . 3 Busso D. . . 4 Poterszman A. . . 5 Egly J.M. . . 6 Thierry J.C. . . 7 Kieffer B. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 366 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-12-04 original author . stop_ _Original_release_date 2000-12-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the N-terminal Domain of the Human TFIIH MAT1 Subunit: New Insights into the RING Finger Family ; _Citation_status 'in press' _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 Gervais V. . . 2 Busso D. . . 3 Wasielewski E. . . 4 Poterszman A. . . 5 Egly J.M. . . 6 Thierry J.C. . . 7 Kieffer B. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _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 . loop_ _Keyword 'RING FINGER (C3HC4)' 'basic transcription factor' 'zinc binding protein' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Yee A, Nichols MA, Wu L, Hall FL, Kobayashi R, Xiong Y. Molecular cloning of CDK7-associated human MAT1, a cyclin-dependent kinase-activating kinase (CAK) assembly factor. Cancer Res. 1995 Dec 15;55(24):6058-62. ; _Citation_title 'Molecular cloning of CDK7-associated human MAT1, a cyclin-dependent kinase-activating kinase (CAK) assembly factor.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8521393 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yee A. . . 2 Nichols 'M. A.' A. . 3 Wu L. . . 4 Hall 'F. L.' L. . 5 Kobayashi R. . . 6 Xiong Y. . . stop_ _Journal_abbreviation 'Cancer Res.' _Journal_name_full 'Cancer research' _Journal_volume 55 _Journal_issue 24 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 6058 _Page_last 6062 _Year 1995 _Details ; Mammalian CDK7 is a protein kinase identified as the catalytic subunit of cyclin-dependent kinase (CDK)-activating kinase and as an essential component of the transcription factor TFIIH that is involved in transcription initiation and DNA repair. We have identified in human cells a number of CDK7-associated cellular proteins that appear to fall into two classes based on their relative [35S] metabolic labeling intensity. One class of proteins present in CDK7 immunocomplexes as a minor fraction contains components of the TFIIH transcription complex such as p62 and p89ERCC3, whereas the other fraction contains four polypeptides (p35, p37Cyclin H, p75, and p95) that are stoichiometrically associated with CDK7. Whereas the levels of association of p35, p37Cyclin H, and p75 with CDK7 remain unchanged between density-arrested and proliferating Ewing sarcoma EW-1 cells, the association of p95 with CDK7 was significantly decreased as cells reached confluency. Through a large-scale immunopurification of CDK7 complexes and protein microsequencing, we have isolated a cDNA that encodes p35 and have shown that it is the human homologue of Mat1 that is involved in the assembly of CAK. MAT1 contains a highly conserved C3HC4 motif at its NH2 terminus, a characteristic feature shared among RING finger proteins. The human MAT1 gene expresses a single 1.6-kb transcript, the steady-state level of which, like CDK7 and cyclin H, varies significantly in different cell lines and in different terminally differentiated tissues. ; save_ save_ref_2 _Saveframe_category citation _Citation_full . _Citation_title 'X-PLOR, version 3.1: A system for X-ray crystallography and NMR' _Citation_status . _Citation_type book _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Brunger Axel T. . stop_ _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title 'X-PLOR, version 3.1: A system for X-ray crystallography and NMR' _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher 'Yale University Press' _Book_publisher_city 'New Haven' _Book_ISBN 0300054025 _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year 1992 _Details . loop_ _Keyword 'structure calculation' 'structure analysis' software stop_ save_ save_ref_3 _Saveframe_category citation _Citation_full . _Citation_title ; The program XEASY for computer-supported NMR spectral analysis of biological macromolecules. ; _Citation_status . _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 Bartels C. . . 2 Xia T.-H. . . 3 Billeter Martin . . 4 Guntert Peter . . 5 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1 _Page_last 10 _Year 1995 _Details . loop_ _Keyword 'spectrum analysis' software stop_ save_ ################################## # Molecular system description # ################################## save_system_MAT1 _Saveframe_category molecular_system _Mol_system_name 'CDK-ACTIVATING KINASE ASSEMBLY FACTOR MAT1' _Abbreviation_common MAT1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MAT1 $MAT1 Zn(II)-1 $ZN Zn(II)-2 $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MAT1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Menage a trois' _Abbreviation_common MAT1 _Molecular_mass 7296 _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 65 _Mol_residue_sequence ; MDDQGCPRCKTTKYRNPSLK LMVNVCGHTLCESCVDLLFV RGAGNCPECGTPLRKSNFRV QLFED ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 ASP 4 GLN 5 GLY 6 CYS 7 PRO 8 ARG 9 CYS 10 LYS 11 THR 12 THR 13 LYS 14 TYR 15 ARG 16 ASN 17 PRO 18 SER 19 LEU 20 LYS 21 LEU 22 MET 23 VAL 24 ASN 25 VAL 26 CYS 27 GLY 28 HIS 29 THR 30 LEU 31 CYS 32 GLU 33 SER 34 CYS 35 VAL 36 ASP 37 LEU 38 LEU 39 PHE 40 VAL 41 ARG 42 GLY 43 ALA 44 GLY 45 ASN 46 CYS 47 PRO 48 GLU 49 CYS 50 GLY 51 THR 52 PRO 53 LEU 54 ARG 55 LYS 56 SER 57 ASN 58 PHE 59 ARG 60 VAL 61 GLN 62 LEU 63 PHE 64 GLU 65 ASP stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT P51948 'CDK-activating kinase assembly factor MAT1 (RING finger protein MAT1) (Menage a trois) (CDK7/cyclin H assembly factor) (p36) (p35) (Cyclin G1-interacting protein) (RING finger protein 66)' 100.00 309 100.00 100.00 5.19e-33 SWISS-PROT P51949 'CDK-activating kinase assembly factor MAT1 (RING finger protein MAT1) (Menage a trois) (CDK7/cyclin H assembly factor) (p36) (p35)' 100.00 309 100.00 100.00 4.66e-33 REF NP_703202 'menage a trois 1 [Rattus norvegicus]' 100.00 309 100.00 100.00 4.39e-33 REF XP_001096910 'PREDICTED: menage a trois 1 (CAK assembly factor) isoform 1 [Macaca mulatta]' 100.00 278 100.00 100.00 4.50e-33 REF NP_002422 'menage a trois 1 (CAK assembly factor) [Homo sapiens]' 100.00 309 100.00 100.00 5.19e-33 REF NP_032638 'menage a trois 1 [Mus musculus]' 100.00 309 100.00 100.00 4.66e-33 GenBank AAH89023 'Menage a trois 1 [Mus musculus]' 100.00 309 100.00 100.00 4.66e-33 REF NP_001098879 'menage a trois homolog 1, cyclin H assembly factor [Bos taurus]' 100.00 309 100.00 100.00 6.03e-33 GenBank AAH00820 'Menage a trois homolog 1, cyclin H assembly factor (Xenopus laevis) [Homo sapiens]' 100.00 309 100.00 100.00 5.19e-33 GenBank AAH78712 'Menage a trois 1 [Rattus norvegicus]' 100.00 309 100.00 100.00 4.39e-33 GenBank AAA91741 'CDK-activating kinase assembly factor p36/MAT1' 100.00 309 100.00 100.00 4.62e-33 GenBank AAB05248 '1500GX1 gene product' 100.00 267 98.46 98.46 4.86e-32 EMBL CAA63356 'p35 [Homo sapiens]' 100.00 309 100.00 100.00 5.19e-33 EMBL CAG29332 'MNAT1 [Homo sapiens]' 100.00 309 100.00 100.00 5.19e-33 DBJ BAE34168 'unnamed protein product [Mus musculus]' 100.00 309 100.00 100.00 4.66e-33 EMBL CAA61112 'cdk7/cyclin H assembly factor [Homo sapiens]' 100.00 309 100.00 100.00 5.19e-33 DBJ BAB25556 'unnamed protein product [Mus musculus]' 100.00 309 100.00 100.00 4.66e-33 DBJ BAE33464 'unnamed protein product [Mus musculus]' 100.00 309 100.00 100.00 4.66e-33 PDB 1G25 'Solution Structure Of The N-Terminal Domain Of The Human Tfiih Mat1 Subunit' 100.00 65 100.00 100.00 1.12e-30 DBJ BAB25483 'unnamed protein product [Mus musculus]' 100.00 309 98.46 98.46 5.19e-32 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 . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 21 14:17:05 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 $MAT1 human 9606 Eukaryota Metazoa Homo sapiens MAT1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $MAT1 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pGEX-4T2 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 $MAT1 2 mM . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.8 loop_ _Task 'structure solution' refinement stop_ _Details . _Citation_label $ref_2 save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 1.3 loop_ _Task 'data collection' 'data processing' stop_ _Details Bruker save_ save_xeasy _Saveframe_category software _Name xeasy _Version 1.3.13 loop_ _Task 'data analysis' stop_ _Details . _Citation_label $ref_3 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label $sample_1 save_ save_2D_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_MAT1_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.1 n/a temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 internal direct . . . 1.0 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $MAT1_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name MAT1 _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 . 2 ASP H H 8.04 0.02 1 2 . 2 ASP HA H 4.91 0.02 1 3 . 2 ASP HB2 H 4.58 0.02 1 4 . 2 ASP HB3 H 4.58 0.02 1 5 . 3 ASP HA H 4.58 0.02 1 6 . 3 ASP HB2 H 2.66 0.02 1 7 . 3 ASP HB3 H 2.66 0.02 1 8 . 4 GLN H H 7.99 0.02 1 9 . 4 GLN HA H 4.25 0.02 1 10 . 4 GLN HB2 H 1.92 0.02 1 11 . 4 GLN HB3 H 2.00 0.02 1 12 . 4 GLN HG2 H 2.23 0.02 2 13 . 4 GLN HG3 H 2.17 0.02 2 14 . 4 GLN HE21 H 7.46 0.02 1 15 . 4 GLN HE22 H 6.80 0.02 1 16 . 5 GLY H H 8.04 0.02 1 17 . 5 GLY HA2 H 4.26 0.02 2 18 . 5 GLY HA3 H 3.90 0.02 2 19 . 6 CYS H H 8.32 0.02 1 20 . 6 CYS HA H 4.66 0.02 1 21 . 6 CYS HB2 H 2.57 0.02 1 22 . 6 CYS HB3 H 3.53 0.02 1 23 . 7 PRO HA H 4.43 0.02 1 24 . 7 PRO HB2 H 2.42 0.02 2 25 . 7 PRO HB3 H 2.10 0.02 2 26 . 7 PRO HG2 H 2.35 0.02 2 27 . 7 PRO HG3 H 2.20 0.02 2 28 . 7 PRO HD2 H 4.15 0.02 2 29 . 7 PRO HD3 H 4.10 0.02 2 30 . 8 ARG H H 8.60 0.02 1 31 . 8 ARG HA H 4.42 0.02 1 32 . 8 ARG HB2 H 1.72 0.02 1 33 . 8 ARG HB3 H 2.39 0.02 1 34 . 8 ARG HG2 H 1.63 0.02 2 35 . 8 ARG HG3 H 1.54 0.02 2 36 . 8 ARG HD2 H 3.45 0.02 2 37 . 8 ARG HD3 H 3.08 0.02 2 38 . 9 CYS H H 8.16 0.02 1 39 . 9 CYS HA H 4.73 0.02 1 40 . 9 CYS HB2 H 3.28 0.02 1 41 . 9 CYS HB3 H 2.51 0.02 1 42 . 10 LYS H H 7.77 0.02 1 43 . 10 LYS HA H 4.18 0.02 1 44 . 10 LYS HB2 H 2.28 0.02 1 45 . 10 LYS HB3 H 2.04 0.02 1 46 . 10 LYS HG2 H 1.38 0.02 2 47 . 10 LYS HG3 H 1.21 0.02 2 48 . 10 LYS HD2 H 1.57 0.02 1 49 . 10 LYS HD3 H 1.57 0.02 1 50 . 10 LYS HE2 H 3.03 0.02 1 51 . 10 LYS HE3 H 3.03 0.02 1 52 . 11 THR H H 8.17 0.02 1 53 . 11 THR HA H 4.24 0.02 1 54 . 11 THR HB H 4.08 0.02 1 55 . 11 THR HG2 H 1.42 0.02 1 56 . 12 THR H H 8.17 0.02 1 57 . 12 THR HA H 4.24 0.02 1 58 . 12 THR HB H 4.09 0.02 1 59 . 12 THR HG2 H 1.42 0.02 1 60 . 13 LYS H H 8.89 0.02 1 61 . 13 LYS HA H 4.32 0.02 1 62 . 13 LYS HB2 H 1.35 0.02 1 63 . 13 LYS HB3 H 1.29 0.02 1 64 . 13 LYS HG2 H 0.75 0.02 1 65 . 13 LYS HD2 H 1.23 0.02 1 66 . 13 LYS HD3 H 1.23 0.02 1 67 . 13 LYS HE2 H 2.91 0.02 1 68 . 13 LYS HE3 H 2.91 0.02 1 69 . 14 TYR H H 7.70 0.02 1 70 . 14 TYR HA H 4.24 0.02 1 71 . 14 TYR HB2 H 3.00 0.02 2 72 . 14 TYR HB3 H 2.96 0.02 2 73 . 14 TYR HD1 H 7.12 0.02 1 74 . 14 TYR HD2 H 7.12 0.02 1 75 . 14 TYR HE1 H 6.86 0.02 1 76 . 14 TYR HE2 H 6.86 0.02 1 77 . 15 ARG H H 7.35 0.02 1 78 . 15 ARG HA H 4.20 0.02 1 79 . 15 ARG HB2 H 2.01 0.02 1 80 . 15 ARG HB3 H 1.87 0.02 1 81 . 15 ARG HG2 H 1.71 0.02 1 82 . 15 ARG HG3 H 1.71 0.02 1 83 . 15 ARG HD2 H 3.29 0.02 1 84 . 15 ARG HD3 H 3.29 0.02 1 85 . 15 ARG HE H 7.43 0.02 1 86 . 16 ASN H H 8.01 0.02 1 87 . 16 ASN HA H 5.12 0.02 1 88 . 16 ASN HB2 H 2.71 0.02 2 89 . 16 ASN HB3 H 2.86 0.02 2 90 . 16 ASN HD21 H 7.19 0.02 1 91 . 16 ASN HD22 H 7.10 0.02 1 92 . 17 PRO HA H 4.62 0.02 1 93 . 17 PRO HB2 H 2.45 0.02 1 94 . 17 PRO HB3 H 2.45 0.02 1 95 . 17 PRO HG2 H 2.06 0.02 2 96 . 17 PRO HG3 H 2.04 0.02 2 97 . 17 PRO HD2 H 3.85 0.02 2 98 . 17 PRO HD3 H 3.50 0.02 2 99 . 18 SER H H 7.68 0.02 1 100 . 18 SER HA H 4.54 0.02 1 101 . 18 SER HB2 H 3.97 0.02 1 102 . 18 SER HB3 H 3.97 0.02 1 103 . 19 LEU H H 7.60 0.02 1 104 . 19 LEU HA H 3.97 0.02 1 105 . 19 LEU HB2 H 1.71 0.02 1 106 . 19 LEU HB3 H 1.71 0.02 1 107 . 19 LEU HG H 1.35 0.02 1 108 . 19 LEU HD1 H 0.94 0.02 2 109 . 19 LEU HD2 H 0.74 0.02 2 110 . 20 LYS H H 8.83 0.02 1 111 . 20 LYS HA H 4.57 0.02 1 112 . 20 LYS HB2 H 1.74 0.02 1 113 . 20 LYS HB3 H 1.74 0.02 1 114 . 20 LYS HG2 H 1.33 0.02 1 115 . 20 LYS HG3 H 1.33 0.02 1 116 . 20 LYS HD2 H 1.52 0.02 1 117 . 20 LYS HD3 H 1.52 0.02 1 118 . 20 LYS HE2 H 2.99 0.02 1 119 . 20 LYS HE3 H 2.99 0.02 1 120 . 21 LEU H H 8.65 0.02 1 121 . 21 LEU HA H 4.47 0.02 1 122 . 21 LEU HB2 H 1.56 0.02 1 123 . 21 LEU HB3 H 1.90 0.02 1 124 . 21 LEU HG H 1.25 0.02 1 125 . 21 LEU HD1 H 0.84 0.02 2 126 . 21 LEU HD2 H 0.66 0.02 2 127 . 22 MET H H 8.56 0.02 1 128 . 22 MET HA H 5.37 0.02 1 129 . 22 MET HB2 H 2.00 0.02 2 130 . 22 MET HB3 H 1.95 0.02 2 131 . 22 MET HG2 H 2.36 0.02 2 132 . 22 MET HG3 H 2.18 0.02 2 133 . 23 VAL H H 9.32 0.02 1 134 . 23 VAL HA H 4.93 0.02 1 135 . 23 VAL HB H 1.93 0.02 1 136 . 23 VAL HG1 H 0.99 0.02 2 137 . 23 VAL HG2 H 0.82 0.02 2 138 . 24 ASN H H 7.78 0.02 1 139 . 24 ASN HA H 4.99 0.02 1 140 . 24 ASN HB2 H 3.04 0.02 1 141 . 24 ASN HB3 H 3.04 0.02 1 142 . 24 ASN HD21 H 6.57 0.02 1 143 . 24 ASN HD22 H 6.57 0.02 1 144 . 25 VAL H H 9.87 0.02 1 145 . 25 VAL HA H 3.91 0.02 1 146 . 25 VAL HB H 2.20 0.02 1 147 . 25 VAL HG1 H 1.05 0.02 2 148 . 25 VAL HG2 H 0.93 0.02 2 149 . 26 CYS H H 7.04 0.02 1 150 . 26 CYS HA H 4.62 0.02 1 151 . 26 CYS HB2 H 3.25 0.02 1 152 . 26 CYS HB3 H 2.75 0.02 1 153 . 27 GLY H H 7.67 0.02 1 154 . 27 GLY HA2 H 3.50 0.02 2 155 . 27 GLY HA3 H 3.85 0.02 2 156 . 28 HIS H H 8.14 0.02 1 157 . 28 HIS HA H 5.07 0.02 1 158 . 28 HIS HB2 H 3.11 0.02 1 159 . 28 HIS HB3 H 3.40 0.02 1 160 . 28 HIS HD2 H 7.28 0.02 1 161 . 28 HIS HE1 H 7.88 0.02 1 162 . 29 THR H H 9.07 0.02 1 163 . 29 THR HA H 5.09 0.02 1 164 . 29 THR HB H 4.01 0.02 1 165 . 29 THR HG2 H 1.33 0.02 1 166 . 30 LEU H H 8.94 0.02 1 167 . 30 LEU HA H 5.03 0.02 1 168 . 30 LEU HB2 H 1.87 0.02 2 169 . 30 LEU HB3 H 1.48 0.02 2 170 . 30 LEU HG H 1.01 0.02 1 171 . 30 LEU HD1 H 0.66 0.02 2 172 . 30 LEU HD2 H 0.01 0.02 2 173 . 31 CYS H H 9.37 0.02 1 174 . 31 CYS HA H 5.43 0.02 1 175 . 31 CYS HB2 H 3.47 0.02 1 176 . 31 CYS HB3 H 2.79 0.02 1 177 . 32 GLU H H 8.20 0.02 1 178 . 32 GLU HA H 3.72 0.02 1 179 . 32 GLU HB2 H 2.13 0.02 2 180 . 32 GLU HB3 H 2.04 0.02 2 181 . 32 GLU HG2 H 2.27 0.02 1 182 . 32 GLU HG3 H 2.27 0.02 1 183 . 33 SER H H 7.97 0.02 1 184 . 33 SER HA H 4.37 0.02 1 185 . 33 SER HB2 H 4.09 0.02 1 186 . 33 SER HB3 H 4.05 0.02 1 187 . 34 CYS H H 8.96 0.02 1 188 . 34 CYS HA H 3.96 0.02 1 189 . 34 CYS HB2 H 2.82 0.02 1 190 . 34 CYS HB3 H 3.32 0.02 1 191 . 35 VAL H H 8.59 0.02 1 192 . 35 VAL HA H 3.34 0.02 1 193 . 35 VAL HB H 1.95 0.02 1 194 . 35 VAL HG1 H 0.39 0.02 2 195 . 35 VAL HG2 H 0.01 0.02 2 196 . 36 ASP H H 8.08 0.02 1 197 . 36 ASP HA H 4.30 0.02 1 198 . 36 ASP HB2 H 2.61 0.02 1 199 . 36 ASP HB3 H 2.74 0.02 1 200 . 37 LEU H H 7.66 0.02 1 201 . 37 LEU HA H 4.18 0.02 1 202 . 37 LEU HB2 H 2.28 0.02 2 203 . 37 LEU HB3 H 2.04 0.02 2 204 . 37 LEU HG H 1.56 0.02 1 205 . 37 LEU HD1 H 1.37 0.02 2 206 . 37 LEU HD2 H 1.20 0.02 2 207 . 38 LEU H H 8.20 0.02 1 208 . 38 LEU HA H 4.13 0.02 1 209 . 38 LEU HB2 H 1.79 0.02 1 210 . 38 LEU HB3 H 1.79 0.02 1 211 . 38 LEU HG H 1.20 0.02 1 212 . 38 LEU HD1 H 0.90 0.02 2 213 . 38 LEU HD2 H 0.84 0.02 2 214 . 39 PHE H H 8.21 0.02 1 215 . 39 PHE HA H 4.58 0.02 1 216 . 39 PHE HB2 H 3.02 0.02 1 217 . 39 PHE HB3 H 3.17 0.02 1 218 . 39 PHE HD1 H 7.34 0.02 1 219 . 39 PHE HD2 H 7.34 0.02 1 220 . 39 PHE HE1 H 7.14 0.02 1 221 . 39 PHE HE2 H 7.14 0.02 1 222 . 39 PHE HZ H 7.08 0.02 1 223 . 40 VAL H H 7.34 0.02 1 224 . 40 VAL HA H 4.11 0.02 1 225 . 40 VAL HB H 2.27 0.02 1 226 . 40 VAL HG1 H 1.09 0.02 2 227 . 40 VAL HG2 H 1.04 0.02 2 228 . 41 ARG H H 8.71 0.02 1 229 . 41 ARG HA H 4.45 0.02 1 230 . 41 ARG HB2 H 2.18 0.02 1 231 . 41 ARG HB3 H 1.92 0.02 1 232 . 41 ARG HG2 H 1.76 0.02 1 233 . 41 ARG HG3 H 1.72 0.02 1 234 . 41 ARG HD2 H 3.29 0.02 1 235 . 41 ARG HD3 H 3.25 0.02 1 236 . 42 GLY H H 8.37 0.02 1 237 . 42 GLY HA2 H 4.53 0.02 2 238 . 42 GLY HA3 H 3.75 0.02 2 239 . 43 ALA H H 7.72 0.02 1 240 . 43 ALA HA H 5.23 0.02 1 241 . 43 ALA HB H 1.53 0.02 1 242 . 44 GLY H H 8.29 0.02 1 243 . 44 GLY HA2 H 3.90 0.02 2 244 . 44 GLY HA3 H 3.37 0.02 2 245 . 45 ASN H H 8.49 0.02 1 246 . 45 ASN HA H 5.28 0.02 1 247 . 45 ASN HB2 H 2.24 0.02 1 248 . 45 ASN HB3 H 2.41 0.02 1 249 . 45 ASN HD21 H 7.35 0.02 1 250 . 45 ASN HD22 H 6.83 0.02 1 251 . 46 CYS H H 9.18 0.02 1 252 . 46 CYS HA H 4.53 0.02 1 253 . 46 CYS HB2 H 3.20 0.02 1 254 . 46 CYS HB3 H 3.31 0.02 1 255 . 47 PRO HA H 4.45 0.02 1 256 . 47 PRO HB2 H 2.38 0.02 2 257 . 47 PRO HB3 H 2.20 0.02 2 258 . 47 PRO HG2 H 2.05 0.02 1 259 . 47 PRO HG3 H 2.05 0.02 1 260 . 47 PRO HD2 H 4.52 0.02 2 261 . 47 PRO HD3 H 4.02 0.02 2 262 . 48 GLU H H 8.87 0.02 1 263 . 48 GLU HA H 4.30 0.02 1 264 . 48 GLU HB2 H 1.54 0.02 1 265 . 48 GLU HB3 H 1.37 0.02 1 266 . 48 GLU HG2 H 1.82 0.02 2 267 . 48 GLU HG3 H 1.65 0.02 2 268 . 49 CYS H H 7.97 0.02 1 269 . 49 CYS HA H 5.11 0.02 1 270 . 49 CYS HB2 H 3.53 0.02 2 271 . 49 CYS HB3 H 2.68 0.02 2 272 . 50 GLY H H 8.36 0.02 1 273 . 50 GLY HA2 H 4.30 0.02 2 274 . 50 GLY HA3 H 3.77 0.02 2 275 . 51 THR H H 8.24 0.02 1 276 . 51 THR HA H 4.38 0.02 1 277 . 51 THR HB H 4.21 0.02 1 278 . 51 THR HG2 H 1.25 0.02 1 279 . 52 PRO HA H 4.82 0.02 1 280 . 52 PRO HB2 H 2.36 0.02 2 281 . 52 PRO HB3 H 2.00 0.02 2 282 . 52 PRO HG2 H 2.19 0.02 2 283 . 52 PRO HG3 H 2.02 0.02 2 284 . 52 PRO HD2 H 4.09 0.02 1 285 . 52 PRO HD3 H 3.79 0.02 1 286 . 53 LEU H H 9.02 0.02 1 287 . 53 LEU HA H 4.82 0.02 1 288 . 53 LEU HB2 H 2.07 0.02 2 289 . 53 LEU HB3 H 1.81 0.02 2 290 . 53 LEU HG H 1.25 0.02 1 291 . 53 LEU HD1 H 0.94 0.02 2 292 . 53 LEU HD2 H 0.81 0.02 2 293 . 54 ARG H H 9.18 0.02 1 294 . 54 ARG HA H 4.52 0.02 1 295 . 54 ARG HD2 H 3.75 0.02 1 296 . 54 ARG HD3 H 3.75 0.02 1 297 . 55 LYS H H 8.87 0.02 1 298 . 55 LYS HA H 4.97 0.02 1 299 . 55 LYS HB2 H 2.05 0.02 1 300 . 55 LYS HB3 H 2.05 0.02 1 301 . 55 LYS HG2 H 1.73 0.02 1 302 . 55 LYS HG3 H 1.73 0.02 1 303 . 55 LYS HD2 H 1.80 0.02 1 304 . 55 LYS HD3 H 1.80 0.02 1 305 . 55 LYS HE2 H 3.22 0.02 1 306 . 55 LYS HE3 H 3.22 0.02 1 307 . 56 SER H H 8.84 0.02 1 308 . 56 SER HA H 4.97 0.02 1 309 . 56 SER HB2 H 3.71 0.02 1 310 . 56 SER HB3 H 3.71 0.02 1 311 . 57 ASN H H 7.20 0.02 1 312 . 57 ASN HA H 4.96 0.02 1 313 . 57 ASN HB2 H 2.99 0.02 1 314 . 57 ASN HB3 H 2.70 0.02 1 315 . 57 ASN HD21 H 7.83 0.02 1 316 . 57 ASN HD22 H 6.36 0.02 1 317 . 58 PHE H H 7.59 0.02 1 318 . 58 PHE HA H 4.61 0.02 1 319 . 58 PHE HB2 H 3.07 0.02 1 320 . 58 PHE HB3 H 2.97 0.02 1 321 . 58 PHE HD1 H 7.29 0.02 1 322 . 58 PHE HD2 H 7.29 0.02 1 323 . 58 PHE HE1 H 6.90 0.02 1 324 . 58 PHE HE2 H 6.90 0.02 1 325 . 58 PHE HZ H 6.90 0.02 1 326 . 59 ARG H H 9.12 0.02 1 327 . 59 ARG HA H 4.81 0.02 1 328 . 59 ARG HB2 H 1.80 0.02 1 329 . 59 ARG HB3 H 1.76 0.02 1 330 . 59 ARG HG2 H 1.64 0.02 2 331 . 59 ARG HG3 H 1.51 0.02 2 332 . 59 ARG HD2 H 3.18 0.02 2 333 . 59 ARG HD3 H 3.15 0.02 2 334 . 60 VAL H H 8.61 0.02 1 335 . 60 VAL HA H 4.20 0.02 1 336 . 60 VAL HB H 1.99 0.02 1 337 . 60 VAL HG1 H 1.04 0.02 2 338 . 60 VAL HG2 H 0.97 0.02 2 339 . 61 GLN H H 8.81 0.02 1 340 . 61 GLN HA H 4.25 0.02 1 341 . 61 GLN HB2 H 1.86 0.02 1 342 . 61 GLN HB3 H 1.60 0.02 1 343 . 61 GLN HG2 H 1.93 0.02 1 344 . 61 GLN HG3 H 1.93 0.02 1 345 . 62 LEU H H 8.26 0.02 1 346 . 62 LEU HA H 4.42 0.02 1 347 . 62 LEU HB2 H 1.58 0.02 1 348 . 62 LEU HB3 H 1.49 0.02 1 349 . 62 LEU HD1 H 0.92 0.02 2 350 . 62 LEU HD2 H 0.85 0.02 2 351 . 63 PHE H H 8.50 0.02 1 352 . 63 PHE HA H 4.63 0.02 1 353 . 63 PHE HB2 H 2.95 0.02 1 354 . 63 PHE HB3 H 3.21 0.02 1 355 . 63 PHE HD1 H 7.29 0.02 1 356 . 63 PHE HD2 H 7.29 0.02 1 357 . 64 GLU H H 8.47 0.02 1 358 . 64 GLU HA H 4.38 0.02 1 359 . 64 GLU HB2 H 1.93 0.02 2 360 . 64 GLU HB3 H 1.90 0.02 2 361 . 64 GLU HG2 H 2.24 0.02 2 362 . 64 GLU HG3 H 2.11 0.02 2 363 . 65 ASP H H 8.02 0.02 1 364 . 65 ASP HA H 4.38 0.02 1 365 . 65 ASP HB2 H 2.70 0.02 2 366 . 65 ASP HB3 H 2.58 0.02 2 stop_ save_