data_16318 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of CBP TAZ2 and Adenoviral E1A Complex ; _BMRB_accession_number 16318 _BMRB_flat_file_name bmr16318.str _Entry_type original _Submission_date 2009-05-27 _Accession_date 2009-05-27 _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 Ferreon Josephine C. . 2 Martinez-Yamout Maria . . 3 Dyson 'H. Jane' . . 4 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 795 "13C chemical shifts" 424 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-08 update BMRB 'delete the outlier 17 PHE CD1 11.736' 2010-06-03 update BMRB 'edit assembly name' 2009-09-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_E1A-TAZ2 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Basis for Subversion of Cellular Control Mechanisms by the Adenoviral E1A Oncoprotein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19651603 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ferreon Josephine C. . 2 Martinez-Yamout Maria . . 3 Dyson 'H. Jane' . . 4 Wright Peter E. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 106 _Journal_issue 32 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13260 _Page_last 13265 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CBP TAZ2/Adenoviral E1A Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CBP_TAZ2 $CBP_TAZ2 E1A $E1A 'ZINC ION_1' $ZN 'ZINC ION_2' $ZN 'ZINC ION_3' $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_CBP_TAZ2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CBP_TAZ2 _Molecular_mass 10527.605 _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; SPQESRRLSIQRCIQSLVHA CQCRNANCSLPSCQKMKRVV QHTKGCKRKTNGGCPVCKQL IALCCYHAKHCQENKCPVPF CLNIKHKLRQQQ ; loop_ _Residue_seq_code _Residue_label 1 SER 2 PRO 3 GLN 4 GLU 5 SER 6 ARG 7 ARG 8 LEU 9 SER 10 ILE 11 GLN 12 ARG 13 CYS 14 ILE 15 GLN 16 SER 17 LEU 18 VAL 19 HIS 20 ALA 21 CYS 22 GLN 23 CYS 24 ARG 25 ASN 26 ALA 27 ASN 28 CYS 29 SER 30 LEU 31 PRO 32 SER 33 CYS 34 GLN 35 LYS 36 MET 37 LYS 38 ARG 39 VAL 40 VAL 41 GLN 42 HIS 43 THR 44 LYS 45 GLY 46 CYS 47 LYS 48 ARG 49 LYS 50 THR 51 ASN 52 GLY 53 GLY 54 CYS 55 PRO 56 VAL 57 CYS 58 LYS 59 GLN 60 LEU 61 ILE 62 ALA 63 LEU 64 CYS 65 CYS 66 TYR 67 HIS 68 ALA 69 LYS 70 HIS 71 CYS 72 GLN 73 GLU 74 ASN 75 LYS 76 CYS 77 PRO 78 VAL 79 PRO 80 PHE 81 CYS 82 LEU 83 ASN 84 ILE 85 LYS 86 HIS 87 LYS 88 LEU 89 ARG 90 GLN 91 GLN 92 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 16015 TAZ2 100.00 92 100.00 100.00 1.08e-56 PDB 1F81 "Solution Structure Of The Taz2 Domain Of The Transcriptional Adaptor Protein Cbp" 94.57 88 100.00 100.00 2.04e-53 PDB 2KA6 "Nmr Structure Of The Cbp-Taz2STAT1-Tad Complex" 100.00 92 100.00 100.00 1.08e-56 PDB 2KJE "Nmr Structure Of Cbp Taz2 And Adenoviral E1a Complex" 100.00 92 100.00 100.00 1.08e-56 DBJ BAE06125 "CREBBP variant protein [Homo sapiens]" 100.00 2472 100.00 100.00 3.23e-55 DBJ BAI45616 "CREB binding protein [synthetic construct]" 100.00 2442 100.00 100.00 5.09e-55 EMBL CAF96470 "unnamed protein product, partial [Tetraodon nigroviridis]" 100.00 2473 98.91 98.91 1.32e-53 EMBL CAG06082 "unnamed protein product, partial [Tetraodon nigroviridis]" 100.00 982 100.00 100.00 6.49e-55 EMBL CDQ92618 "unnamed protein product, partial [Oncorhynchus mykiss]" 100.00 1379 100.00 100.00 1.06e-54 GB AAB28651 "CREB-binding protein [Mus sp.]" 100.00 2441 97.83 98.91 7.12e-54 GB AAC17736 "CBP [Homo sapiens]" 100.00 923 100.00 100.00 1.75e-55 GB AAC51331 "CREB-binding protein [Homo sapiens]" 100.00 2442 100.00 100.00 5.09e-55 GB AAC51340 "CREB-binding protein [Homo sapiens]" 100.00 932 97.83 97.83 2.19e-53 GB AAC51770 "CREB-binding protein [Homo sapiens]" 100.00 2442 98.91 100.00 1.42e-54 PRF 1923401A "protein CBP" 100.00 2441 97.83 98.91 6.79e-54 REF NP_001020603 "CREB-binding protein [Mus musculus]" 100.00 2441 100.00 100.00 5.00e-55 REF NP_001073315 "CREB-binding protein isoform b [Homo sapiens]" 100.00 2404 100.00 100.00 3.78e-55 REF NP_001088637 "CREB binding protein [Xenopus laevis]" 100.00 2428 98.91 98.91 6.70e-54 REF NP_001157494 "CREB-binding protein [Bos taurus]" 100.00 2435 100.00 100.00 4.71e-55 REF NP_001192159 "CREB binding protein [Xenopus (Silurana) tropicalis]" 100.00 2427 98.91 98.91 6.76e-54 SP P45481 "RecName: Full=CREB-binding protein" 100.00 2441 100.00 100.00 5.35e-55 SP Q6JHU9 "RecName: Full=CREB-binding protein" 100.00 2442 100.00 100.00 4.58e-55 SP Q92793 "RecName: Full=CREB-binding protein" 100.00 2442 100.00 100.00 5.09e-55 TPG DAA15549 "TPA: CREB binding protein [Bos taurus]" 100.00 2435 100.00 100.00 4.71e-55 stop_ save_ save_E1A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common E1A _Molecular_mass 4464.949 _Mol_thiol_state 'not present' _Details . _Residue_count 42 _Mol_residue_sequence ; SHMAPEDPNEEAVSQIFPDS VMLAVQEGIDLLTFPPAPGS PE ; loop_ _Residue_seq_code _Residue_label 1 SER 2 HIS 3 MET 4 ALA 5 PRO 6 GLU 7 ASP 8 PRO 9 ASN 10 GLU 11 GLU 12 ALA 13 VAL 14 SER 15 GLN 16 ILE 17 PHE 18 PRO 19 ASP 20 SER 21 VAL 22 MET 23 LEU 24 ALA 25 VAL 26 GLN 27 GLU 28 GLY 29 ILE 30 ASP 31 LEU 32 LEU 33 THR 34 PHE 35 PRO 36 PRO 37 ALA 38 PRO 39 GLY 40 SER 41 PRO 42 GLU 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 2KJE "Nmr Structure Of Cbp Taz2 And Adenoviral E1a Complex" 100.00 42 100.00 100.00 7.18e-20 EMBL CAB40663 "unnamed protein product [Human adenovirus 5]" 80.95 289 100.00 100.00 5.53e-10 EMBL CAB40664 "unnamed protein product [Human adenovirus 5]" 80.95 243 100.00 100.00 4.99e-10 GB AAN08102 "E1A protein [Human adenovirus 5]" 80.95 289 100.00 100.00 5.53e-10 GB AAQ10538 "32 kDa protein [Human adenovirus 1]" 80.95 289 97.06 97.06 2.56e-09 GB AAQ10563 "26 kDa protein [Human adenovirus 1]" 80.95 243 97.06 97.06 2.26e-09 GB AAQ19284 "32 kDa protein [Human mastadenovirus C]" 80.95 289 100.00 100.00 5.53e-10 GB AAQ19285 "27 kDa protein [Human mastadenovirus C]" 80.95 243 100.00 100.00 4.99e-10 PRF 0512253A "protein,ad2 transforming region [Human adenovirus 12]" 80.95 289 100.00 100.00 5.53e-10 REF AP_000197 "E1A [Human adenovirus 5]" 80.95 289 100.00 100.00 5.53e-10 REF AP_000498 "E1A [Human adenovirus 1]" 80.95 289 97.06 97.06 2.56e-09 SP P03254 "RecName: Full=Early E1A 32 kDa protein [Human adenovirus 2]" 80.95 289 100.00 100.00 5.30e-10 SP P03255 "RecName: Full=Early E1A 32 kDa protein [Human adenovirus 5]" 80.95 289 100.00 100.00 5.53e-10 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common '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 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_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CBP_TAZ2 human 9606 Eukaryota Metazoa Homo sapiens $E1A Adenovirus 10535 Viruses . Mastadenovirus Adenoviridae 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 $CBP_TAZ2 'recombinant technology' . Escherichia coli . pET21a $E1A 'recombinant technology' . Escherichia coli . pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_E1A:TAZ2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CBP_TAZ2 . mM 1 1.5 '[U-100% 13C; U-100% 15N]' $E1A . mM 1 1.5 '[U-100% 15N]' D2O 100 % . . 'natural abundance' stop_ save_ save_E1A:TAZ2_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CBP_TAZ2 . mM 1 1.5 '[U-100% 13C; U-100% 15N]' $E1A . mM 1 1.5 '[U-100% 15N]' Tris 20 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $E1A:TAZ2_2 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $E1A:TAZ2 save_ ####################### # Sample conditions # ####################### save_10_mM_dTris_pH_6.8 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_20_mM_Tris_50mM_NaCl_pH_6.8 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.8 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' stop_ loop_ _Sample_label $E1A:TAZ2_2 stop_ _Sample_conditions_label $10_mM_dTris_pH_6.8 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CBP_TAZ2 _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 1764 1 SER HA H 4.867 . 1 2 1764 1 SER HB2 H 3.943 . 2 3 1764 1 SER HB3 H 4.28 . 2 4 1764 1 SER CA C 56.550 . 1 5 1764 1 SER CB C 63.4 . 1 6 1765 2 PRO HA H 4.433 . 1 7 1765 2 PRO HB2 H 1.935 . 2 8 1765 2 PRO HB3 H 2.362 . 2 9 1765 2 PRO HD2 H 3.823 . 2 10 1765 2 PRO HD3 H 3.913 . 2 11 1765 2 PRO HG2 H 2.38 . 2 12 1765 2 PRO HG3 H 2.113 . 2 13 1765 2 PRO CA C 64.81 . 1 14 1765 2 PRO CB C 31.907 . 1 15 1765 2 PRO CD C 51.205 . 1 16 1765 2 PRO CG C 27.771 . 1 17 1766 3 GLN H H 8.442 . 1 18 1766 3 GLN HA H 3.889 . 1 19 1766 3 GLN HB2 H 2.60 . 1 20 1766 3 GLN HB3 H 2.60 . 1 21 1766 3 GLN HE21 H 6.949 . 2 22 1766 3 GLN HE22 H 7.358 . 2 23 1766 3 GLN HG2 H 2.498 . 1 24 1766 3 GLN HG3 H 2.498 . 1 25 1766 3 GLN CA C 59.103 . 1 26 1766 3 GLN CB C 28.595 . 1 27 1766 3 GLN CG C 34.479 . 1 28 1766 3 GLN N N 115.685 . 1 29 1766 3 GLN NE2 N 112.467 . 1 30 1767 4 GLU H H 8.161 . 1 31 1767 4 GLU HA H 4.197 . 1 32 1767 4 GLU HB2 H 2.79 . 1 33 1767 4 GLU HB3 H 2.79 . 1 34 1767 4 GLU HG2 H 2.291 . 1 35 1767 4 GLU HG3 H 2.291 . 1 36 1767 4 GLU CA C 57.727 . 1 37 1767 4 GLU CB C 30.25 . 1 38 1767 4 GLU CG C 36.714 . 1 39 1767 4 GLU N N 121.941 . 1 40 1768 5 SER H H 8.291 . 1 41 1768 5 SER HA H 4.280 . 1 42 1768 5 SER HB2 H 3.920 . 1 43 1768 5 SER HB3 H 3.920 . 1 44 1768 5 SER CA C 60.80 . 1 45 1768 5 SER CB C 63.435 . 1 46 1768 5 SER N N 116.36 . 1 47 1769 6 ARG H H 7.935 . 1 48 1769 6 ARG HA H 4.120 . 1 49 1769 6 ARG HD2 H 3.228 . 1 50 1769 6 ARG HD3 H 3.228 . 1 51 1769 6 ARG CD C 43.203 . 1 52 1769 6 ARG N N 122.139 . 1 53 1770 7 ARG H H 7.952 . 1 54 1770 7 ARG HA H 3.939 . 1 55 1770 7 ARG HB2 H 1.880 . 1 56 1770 7 ARG HB3 H 1.880 . 1 57 1770 7 ARG HD2 H 3.184 . 1 58 1770 7 ARG HD3 H 3.184 . 1 59 1770 7 ARG HG2 H 1.579 . 2 60 1770 7 ARG HG3 H 1.703 . 2 61 1770 7 ARG N N 119.527 . 1 62 1771 8 LEU H H 8.12 . 1 63 1771 8 LEU HA H 4.188 . 1 64 1771 8 LEU HB2 H 1.882 . 2 65 1771 8 LEU HB3 H 1.658 . 2 66 1771 8 LEU HD1 H 0.914 . 1 67 1771 8 LEU HD2 H 0.935 . 4 68 1771 8 LEU HG H 1.728 . 1 69 1771 8 LEU CA C 56.786 . 1 70 1771 8 LEU CB C 41.556 . 1 71 1771 8 LEU CD1 C 24.976 . 1 72 1771 8 LEU CD2 C 25.233 . 2 73 1771 8 LEU CG C 27.454 . 1 74 1771 8 LEU N N 120.237 . 1 75 1772 9 SER H H 8.86 . 1 76 1772 9 SER HA H 4.224 . 1 77 1772 9 SER HB2 H 3.916 . 2 78 1772 9 SER HB3 H 4.24 . 2 79 1772 9 SER CA C 61.728 . 1 80 1772 9 SER CB C 62.198 . 1 81 1772 9 SER N N 116.214 . 1 82 1773 10 ILE H H 8.133 . 1 83 1773 10 ILE HA H 3.510 . 1 84 1773 10 ILE HB H 1.857 . 1 85 1773 10 ILE HD1 H 1.20 . 1 86 1773 10 ILE HG12 H 1.149 . 1 87 1773 10 ILE HG13 H 1.389 . 1 88 1773 10 ILE HG2 H 0.570 . 2 89 1773 10 ILE CA C 64.787 . 1 90 1773 10 ILE CB C 38.732 . 1 91 1773 10 ILE CD1 C 15.270 . 1 92 1773 10 ILE CG1 C 27.671 . 2 93 1773 10 ILE CG2 C 17.620 . 1 94 1773 10 ILE N N 122.927 . 1 95 1774 11 GLN H H 8.25 . 1 96 1774 11 GLN HA H 3.980 . 1 97 1774 11 GLN HB2 H 2.225 . 1 98 1774 11 GLN HB3 H 2.225 . 1 99 1774 11 GLN HE21 H 6.799 . 2 100 1774 11 GLN HE22 H 7.410 . 2 101 1774 11 GLN HG2 H 2.413 . 2 102 1774 11 GLN HG3 H 2.507 . 2 103 1774 11 GLN CA C 58.900 . 1 104 1774 11 GLN CG C 34.261 . 1 105 1774 11 GLN N N 118.893 . 1 106 1774 11 GLN NE2 N 111.135 . 1 107 1775 12 ARG H H 8.272 . 1 108 1775 12 ARG HA H 4.168 . 1 109 1775 12 ARG HB2 H 2.2 . 1 110 1775 12 ARG HB3 H 2.2 . 1 111 1775 12 ARG HD2 H 3.163 . 1 112 1775 12 ARG HD3 H 3.163 . 1 113 1775 12 ARG HG2 H 1.672 . 2 114 1775 12 ARG HG3 H 1.910 . 2 115 1775 12 ARG CA C 57.730 . 1 116 1775 12 ARG CD C 42.965 . 1 117 1775 12 ARG CG C 28.142 . 1 118 1775 12 ARG N N 119.560 . 1 119 1776 13 CYS HA H 4.176 . 1 120 1776 13 CYS HB2 H 2.831 . 2 121 1776 13 CYS HB3 H 3.159 . 2 122 1776 13 CYS CA C 63.610 . 1 123 1776 13 CYS CB C 26.965 . 1 124 1777 14 ILE H H 8.597 . 1 125 1777 14 ILE HA H 3.735 . 1 126 1777 14 ILE HB H 2.163 . 1 127 1777 14 ILE HD1 H 0.590 . 1 128 1777 14 ILE HG12 H 0.953 . 9 129 1777 14 ILE HG13 H 1.518 . 9 130 1777 14 ILE HG2 H 1.119 . 2 131 1777 14 ILE CA C 65.22 . 1 132 1777 14 ILE CB C 37.320 . 1 133 1777 14 ILE CD1 C 13.148 . 1 134 1777 14 ILE CG1 C 29.851 . 2 135 1777 14 ILE CG2 C 19.31 . 2 136 1777 14 ILE N N 120.174 . 1 137 1778 15 GLN H H 8.105 . 1 138 1778 15 GLN HA H 4.70 . 1 139 1778 15 GLN HB2 H 2.303 . 2 140 1778 15 GLN HB3 H 2.199 . 2 141 1778 15 GLN HE21 H 6.880 . 2 142 1778 15 GLN HE22 H 7.508 . 2 143 1778 15 GLN HG2 H 2.442 . 2 144 1778 15 GLN HG3 H 2.618 . 2 145 1778 15 GLN CA C 59.139 . 1 146 1778 15 GLN CB C 28.377 . 1 147 1778 15 GLN CG C 34.261 . 1 148 1778 15 GLN N N 119.677 . 1 149 1778 15 GLN NE2 N 111.487 . 1 150 1779 16 SER H H 8.115 . 1 151 1779 16 SER HA H 4.407 . 1 152 1779 16 SER HB2 H 3.973 . 2 153 1779 16 SER HB3 H 3.912 . 2 154 1779 16 SER CA C 61.963 . 1 155 1779 16 SER CB C 63.425 . 1 156 1779 16 SER N N 116.542 . 1 157 1780 17 LEU H H 8.496 . 1 158 1780 17 LEU HA H 3.970 . 1 159 1780 17 LEU HB2 H 1.648 . 2 160 1780 17 LEU HB3 H 2.425 . 2 161 1780 17 LEU HD1 H 1.103 . 1 162 1780 17 LEU HD2 H 0.882 . 4 163 1780 17 LEU HG H 1.576 . 1 164 1780 17 LEU CA C 58.286 . 1 165 1780 17 LEU CB C 42.262 . 1 166 1780 17 LEU CD1 C 24.689 . 1 167 1780 17 LEU CD2 C 27.201 . 2 168 1780 17 LEU CG C 27.145 . 1 169 1780 17 LEU N N 124.870 . 1 170 1781 18 VAL H H 8.540 . 1 171 1781 18 VAL HA H 3.246 . 1 172 1781 18 VAL HB H 2.127 . 1 173 1781 18 VAL HG1 H 0.897 . 4 174 1781 18 VAL HG2 H 0.952 . 1 175 1781 18 VAL CA C 66.905 . 1 176 1781 18 VAL CB C 31.672 . 1 177 1781 18 VAL CG1 C 21.620 . 2 178 1781 18 VAL CG2 C 23.738 . 2 179 1781 18 VAL N N 119.345 . 1 180 1782 19 HIS H H 7.944 . 1 181 1782 19 HIS HA H 4.191 . 1 182 1782 19 HIS HB2 H 3.221 . 2 183 1782 19 HIS HB3 H 3.372 . 2 184 1782 19 HIS HD2 H 7.320 . 3 185 1782 19 HIS HE1 H 7.931 . 1 186 1782 19 HIS CA C 59.845 . 1 187 1782 19 HIS CB C 26.965 . 1 188 1782 19 HIS CD2 C 127.958 . 1 189 1782 19 HIS CE1 C 137.606 . 1 190 1782 19 HIS N N 116.521 . 1 191 1783 20 ALA H H 9.83 . 1 192 1783 20 ALA HA H 4.367 . 1 193 1783 20 ALA HB H 1.617 . 1 194 1783 20 ALA CA C 55.191 . 1 195 1783 20 ALA CB C 20.695 . 1 196 1783 20 ALA N N 121.753 . 1 197 1784 21 CYS H H 7.913 . 1 198 1784 21 CYS HA H 4.236 . 1 199 1784 21 CYS HB2 H 2.883 . 2 200 1784 21 CYS HB3 H 2.702 . 2 201 1784 21 CYS CA C 61.963 . 1 202 1784 21 CYS CB C 26.965 . 1 203 1784 21 CYS N N 112.237 . 1 204 1785 22 GLN H H 7.320 . 1 205 1785 22 GLN HA H 4.475 . 1 206 1785 22 GLN HB2 H 2.100 . 2 207 1785 22 GLN HB3 H 1.998 . 2 208 1785 22 GLN HE21 H 6.954 . 2 209 1785 22 GLN HE22 H 7.353 . 2 210 1785 22 GLN HG2 H 2.249 . 2 211 1785 22 GLN HG3 H 2.491 . 2 212 1785 22 GLN CA C 54.97 . 1 213 1785 22 GLN CB C 30.731 . 1 214 1785 22 GLN CG C 33.319 . 1 215 1785 22 GLN N N 115.939 . 1 216 1785 22 GLN NE2 N 111.958 . 1 217 1786 23 CYS H H 7.268 . 1 218 1786 23 CYS HA H 3.898 . 1 219 1786 23 CYS HB2 H 2.34 . 2 220 1786 23 CYS HB3 H 2.550 . 2 221 1786 23 CYS CA C 60.80 . 1 222 1786 23 CYS CB C 28.848 . 1 223 1786 23 CYS N N 124.452 . 1 224 1787 24 ARG H H 8.854 . 1 225 1787 24 ARG HA H 4.539 . 1 226 1787 24 ARG HB2 H 1.603 . 2 227 1787 24 ARG HB3 H 2.90 . 2 228 1787 24 ARG HD2 H 3.151 . 1 229 1787 24 ARG HD3 H 3.151 . 1 230 1787 24 ARG HG2 H 1.541 . 2 231 1787 24 ARG HG3 H 1.607 . 2 232 1787 24 ARG CA C 54.735 . 1 233 1787 24 ARG CB C 30.25 . 1 234 1787 24 ARG CD C 42.968 . 1 235 1787 24 ARG CG C 26.965 . 1 236 1787 24 ARG N N 130.523 . 1 237 1788 25 ASN H H 7.553 . 1 238 1788 25 ASN HA H 4.799 . 1 239 1788 25 ASN HB2 H 2.822 . 2 240 1788 25 ASN HB3 H 2.983 . 2 241 1788 25 ASN HD21 H 7.44 . 2 242 1788 25 ASN HD22 H 7.833 . 2 243 1788 25 ASN CA C 51.911 . 1 244 1788 25 ASN CB C 39.203 . 1 245 1788 25 ASN N N 119.613 . 1 246 1788 25 ASN ND2 N 111.495 . 1 247 1789 26 ALA H H 9.185 . 1 248 1789 26 ALA HA H 4.74 . 1 249 1789 26 ALA HB H 1.404 . 1 250 1789 26 ALA CA C 54.264 . 1 251 1789 26 ALA CB C 18.796 . 1 252 1789 26 ALA N N 130.841 . 1 253 1790 27 ASN H H 8.52 . 1 254 1790 27 ASN HA H 4.761 . 1 255 1790 27 ASN HB2 H 2.610 . 2 256 1790 27 ASN HB3 H 2.932 . 2 257 1790 27 ASN HD21 H 6.900 . 2 258 1790 27 ASN HD22 H 7.621 . 2 259 1790 27 ASN CA C 51.911 . 1 260 1790 27 ASN CB C 38.967 . 1 261 1790 27 ASN N N 113.345 . 1 262 1790 27 ASN ND2 N 113.192 . 1 263 1791 28 CYS H H 7.224 . 1 264 1791 28 CYS HA H 4.95 . 1 265 1791 28 CYS HB2 H 2.962 . 1 266 1791 28 CYS HB3 H 2.962 . 1 267 1791 28 CYS CA C 61.257 . 1 268 1791 28 CYS CB C 30.495 . 1 269 1791 28 CYS N N 123.463 . 1 270 1792 29 SER H H 8.811 . 1 271 1792 29 SER HA H 4.449 . 1 272 1792 29 SER HB2 H 4.80 . 2 273 1792 29 SER HB3 H 3.844 . 2 274 1792 29 SER CA C 57.492 . 1 275 1792 29 SER CB C 63.835 . 1 276 1792 29 SER N N 125.781 . 1 277 1793 30 LEU H H 7.851 . 1 278 1793 30 LEU HA H 4.507 . 1 279 1793 30 LEU HB2 H 1.772 . 2 280 1793 30 LEU HB3 H 1.364 . 2 281 1793 30 LEU HD1 H 0.775 . 1 282 1793 30 LEU HD2 H 0.532 . 4 283 1793 30 LEU HG H 1.721 . 1 284 1793 30 LEU CA C 53.558 . 1 285 1793 30 LEU CB C 42.27 . 1 286 1793 30 LEU CD1 C 23.267 . 2 287 1793 30 LEU CD2 C 25.620 . 2 288 1793 30 LEU CG C 26.965 . 1 289 1793 30 LEU N N 125.656 . 1 290 1794 31 PRO HA H 4.363 . 1 291 1794 31 PRO HB2 H 1.939 . 2 292 1794 31 PRO HB3 H 2.343 . 2 293 1794 31 PRO HD2 H 3.652 . 2 294 1794 31 PRO HD3 H 3.863 . 2 295 1794 31 PRO HG2 H 2.88 . 2 296 1794 31 PRO HG3 H 2.213 . 2 297 1794 31 PRO CA C 64.787 . 1 298 1794 31 PRO CB C 32.708 . 1 299 1794 31 PRO CD C 50.734 . 1 300 1794 31 PRO CG C 28 . 1 301 1795 32 SER H H 8.625 . 1 302 1795 32 SER HA H 4.309 . 1 303 1795 32 SER HB2 H 3.963 . 2 304 1795 32 SER CA C 60.124 . 1 305 1795 32 SER CB C 62.982 . 1 306 1795 32 SER N N 112.707 . 1 307 1796 33 CYS H H 6.679 . 1 308 1796 33 CYS HA H 4.108 . 1 309 1796 33 CYS HB2 H 3.459 . 2 310 1796 33 CYS HB3 H 2.662 . 2 311 1796 33 CYS CA C 62.669 . 1 312 1796 33 CYS CB C 30.495 . 1 313 1796 33 CYS N N 126.2 . 1 314 1797 34 GLN H H 7.870 . 1 315 1797 34 GLN HA H 3.867 . 1 316 1797 34 GLN HB2 H 2.108 . 1 317 1797 34 GLN HB3 H 2.108 . 1 318 1797 34 GLN HE21 H 6.808 . 2 319 1797 34 GLN HE22 H 7.404 . 2 320 1797 34 GLN HG2 H 2.445 . 2 321 1797 34 GLN HG3 H 2.521 . 2 322 1797 34 GLN CA C 59.140 . 1 323 1797 34 GLN CB C 31.36 . 1 324 1797 34 GLN CG C 34.261 . 1 325 1797 34 GLN N N 115.529 . 1 326 1797 34 GLN NE2 N 111.148 . 1 327 1798 35 LYS H H 8.34 . 1 328 1798 35 LYS HA H 4.24 . 1 329 1798 35 LYS HB2 H 1.919 . 2 330 1798 35 LYS HB3 H 1.758 . 2 331 1798 35 LYS HD2 H 1.758 . 1 332 1798 35 LYS HD3 H 1.758 . 1 333 1798 35 LYS HE2 H 2.860 . 1 334 1798 35 LYS HE3 H 2.860 . 1 335 1798 35 LYS HG2 H 1.142 . 2 336 1798 35 LYS HG3 H 1.351 . 2 337 1798 35 LYS CA C 58.904 . 1 338 1798 35 LYS CB C 32.686 . 1 339 1798 35 LYS CD C 29.675 . 1 340 1798 35 LYS CE C 42.27 . 1 341 1798 35 LYS CG C 25.658 . 1 342 1798 35 LYS N N 117.144 . 1 343 1799 36 MET H H 8.163 . 1 344 1799 36 MET HA H 4.369 . 1 345 1799 36 MET HB2 H 2.399 . 1 346 1799 36 MET HB3 H 2.399 . 1 347 1799 36 MET HE H 1.898 . 1 348 1799 36 MET HG2 H 2.527 . 2 349 1799 36 MET HG3 H 2.806 . 2 350 1799 36 MET CA C 56.474 . 1 351 1799 36 MET CB C 31.110 . 1 352 1799 36 MET CE C 16.913 . 1 353 1799 36 MET CG C 34.001 . 1 354 1799 36 MET N N 117.485 . 1 355 1800 37 LYS H H 9.337 . 1 356 1800 37 LYS HA H 3.840 . 1 357 1800 37 LYS HB2 H 1.742 . 1 358 1800 37 LYS HB3 H 1.742 . 1 359 1800 37 LYS HD2 H 1.619 . 1 360 1800 37 LYS HD3 H 1.619 . 1 361 1800 37 LYS HE2 H 3.170 . 2 362 1800 37 LYS HE3 H 3.296 . 2 363 1800 37 LYS HG2 H 1.207 . 2 364 1800 37 LYS HG3 H 2.45 . 2 365 1800 37 LYS CA C 61.20 . 1 366 1800 37 LYS CB C 32.691 . 1 367 1800 37 LYS CD C 30.880 . 1 368 1800 37 LYS CE C 43.203 . 1 369 1800 37 LYS CG C 28.158 . 1 370 1800 37 LYS N N 120.83 . 1 371 1801 38 ARG H H 7.399 . 1 372 1801 38 ARG HA H 4.49 . 1 373 1801 38 ARG HB2 H 1.900 . 2 374 1801 38 ARG HB3 H 2.64 . 2 375 1801 38 ARG HD2 H 3.197 . 1 376 1801 38 ARG HD3 H 3.197 . 1 377 1801 38 ARG HG2 H 1.623 . 1 378 1801 38 ARG HG3 H 1.623 . 1 379 1801 38 ARG CA C 59.263 . 1 380 1801 38 ARG CB C 31.179 . 1 381 1801 38 ARG CD C 44.145 . 1 382 1801 38 ARG CG C 27.684 . 1 383 1801 38 ARG N N 118.965 . 1 384 1802 39 VAL H H 8.42 . 1 385 1802 39 VAL HA H 3.239 . 1 386 1802 39 VAL HB H 2.397 . 1 387 1802 39 VAL HG1 H 0.349 . 4 388 1802 39 VAL HG2 H 0.891 . 1 389 1802 39 VAL CA C 67.140 . 1 390 1802 39 VAL CB C 31.685 . 1 391 1802 39 VAL CG1 C 22.561 . 2 392 1802 39 VAL CG2 C 23.502 . 1 393 1802 39 VAL N N 123.140 . 1 394 1803 40 VAL H H 8.195 . 1 395 1803 40 VAL HA H 3.403 . 1 396 1803 40 VAL HB H 2.72 . 1 397 1803 40 VAL HG1 H 0.876 . 4 398 1803 40 VAL HG2 H 0.878 . 1 399 1803 40 VAL CA C 66.905 . 1 400 1803 40 VAL CB C 31.907 . 1 401 1803 40 VAL CG1 C 22.90 . 2 402 1803 40 VAL CG2 C 24.209 . 1 403 1803 40 VAL N N 118.716 . 1 404 1804 41 GLN H H 8.310 . 1 405 1804 41 GLN HA H 3.916 . 1 406 1804 41 GLN HB2 H 2.98 . 1 407 1804 41 GLN HB3 H 2.98 . 1 408 1804 41 GLN HE21 H 6.872 . 2 409 1804 41 GLN HE22 H 7.456 . 2 410 1804 41 GLN HG2 H 2.420 . 1 411 1804 41 GLN HG3 H 2.420 . 1 412 1804 41 GLN CA C 58.591 . 1 413 1804 41 GLN CB C 28.561 . 1 414 1804 41 GLN CG C 33.319 . 1 415 1804 41 GLN N N 119.193 . 1 416 1804 41 GLN NE2 N 111.895 . 1 417 1805 42 HIS H H 8.152 . 1 418 1805 42 HIS HA H 4.222 . 1 419 1805 42 HIS HB2 H 3.322 . 2 420 1805 42 HIS HB3 H 3.758 . 2 421 1805 42 HIS HD2 H 6.999 . 3 422 1805 42 HIS HE1 H 8.109 . 1 423 1805 42 HIS CA C 59.139 . 1 424 1805 42 HIS CB C 27.201 . 1 425 1805 42 HIS CD2 C 127.722 . 1 426 1805 42 HIS CE1 C 138.547 . 1 427 1805 42 HIS N N 118.579 . 1 428 1806 43 THR H H 7.997 . 1 429 1806 43 THR HA H 3.888 . 1 430 1806 43 THR HB H 4.159 . 1 431 1806 43 THR HG1 H 5.376 . 1 432 1806 43 THR HG2 H 1.549 . 1 433 1806 43 THR CA C 65.728 . 1 434 1806 43 THR CB C 69.023 . 1 435 1806 43 THR CG2 C 21.855 . 1 436 1806 43 THR N N 113.599 . 1 437 1807 44 LYS H H 7.381 . 1 438 1807 44 LYS HA H 4.19 . 1 439 1807 44 LYS HB2 H 1.828 . 1 440 1807 44 LYS HB3 H 1.828 . 1 441 1807 44 LYS HD2 H 1.583 . 1 442 1807 44 LYS HD3 H 1.583 . 1 443 1807 44 LYS HE2 H 2.833 . 2 444 1807 44 LYS HE3 H 3.150 . 2 445 1807 44 LYS HG2 H 1.371 . 2 446 1807 44 LYS HG3 H 1.599 . 2 447 1807 44 LYS CA C 58.668 . 1 448 1807 44 LYS CB C 32.731 . 1 449 1807 44 LYS CD C 29.753 . 1 450 1807 44 LYS CE C 42.27 . 1 451 1807 44 LYS CG C 25.318 . 1 452 1807 44 LYS N N 120.27 . 1 453 1808 45 GLY H H 7.61 . 1 454 1808 45 GLY HA2 H 3.610 . 2 455 1808 45 GLY HA3 H 4.380 . 2 456 1808 45 GLY CA C 44.851 . 1 457 1808 45 GLY N N 125.480 . 1 458 1809 46 CYS H H 6.898 . 1 459 1809 46 CYS HA H 3.957 . 1 460 1809 46 CYS HB2 H 1.983 . 2 461 1809 46 CYS HB3 H 2.707 . 2 462 1809 46 CYS CA C 60.551 . 1 463 1809 46 CYS CB C 30.260 . 1 464 1809 46 CYS N N 123.457 . 1 465 1810 47 LYS HA H 4.471 . 1 466 1810 47 LYS HB2 H 1.822 . 2 467 1810 47 LYS HB3 H 2.43 . 2 468 1810 47 LYS HD2 H 1.710 . 1 469 1810 47 LYS HD3 H 1.710 . 1 470 1810 47 LYS HE2 H 3.32 . 1 471 1810 47 LYS HE3 H 3.32 . 1 472 1810 47 LYS HG2 H 1.516 . 2 473 1810 47 LYS HG3 H 1.609 . 2 474 1810 47 LYS CA C 56.80 . 1 475 1810 47 LYS CB C 33.84 . 1 476 1810 47 LYS CE C 42.27 . 1 477 1810 47 LYS CG C 25.323 . 1 478 1811 48 ARG H H 8.575 . 1 479 1811 48 ARG HA H 4.366 . 1 480 1811 48 ARG HB2 H 1.837 . 1 481 1811 48 ARG HB3 H 1.837 . 1 482 1811 48 ARG HD2 H 3.278 . 1 483 1811 48 ARG HD3 H 3.278 . 1 484 1811 48 ARG HG2 H 1.676 . 2 485 1811 48 ARG HG3 H 1.839 . 2 486 1811 48 ARG CA C 57.256 . 1 487 1811 48 ARG CB C 32.143 . 1 488 1811 48 ARG CD C 43.674 . 1 489 1811 48 ARG CG C 27.907 . 1 490 1811 48 ARG N N 122.731 . 1 491 1812 49 LYS H H 8.663 . 1 492 1812 49 LYS HA H 4.521 . 1 493 1812 49 LYS HB2 H 2.57 . 2 494 1812 49 LYS HB3 H 2.284 . 2 495 1812 49 LYS HE2 H 3.141 . 1 496 1812 49 LYS HE3 H 3.141 . 1 497 1812 49 LYS HG2 H 1.263 . 2 498 1812 49 LYS HG3 H 1.576 . 2 499 1812 49 LYS CA C 57.256 . 1 500 1812 49 LYS CB C 32.378 . 1 501 1812 49 LYS CE C 42.968 . 1 502 1812 49 LYS CG C 25.385 . 1 503 1812 49 LYS N N 118.409 . 1 504 1813 50 THR HA H 4.71 . 1 505 1813 50 THR HB H 4.191 . 1 506 1813 50 THR HG2 H 1.199 . 1 507 1813 50 THR CA C 63.846 . 1 508 1813 50 THR CB C 68.317 . 1 509 1813 50 THR CG2 C 22.796 . 1 510 1814 51 ASN HA H 4.676 . 1 511 1814 51 ASN HB2 H 2.715 . 2 512 1814 51 ASN HB3 H 2.836 . 2 513 1814 51 ASN HD21 H 6.840 . 2 514 1814 51 ASN HD22 H 7.621 . 2 515 1814 51 ASN CA C 82.908 . 1 516 1814 51 ASN CB C 38.732 . 1 517 1814 51 ASN ND2 N 112.270 . 1 518 1815 52 GLY H H 7.879 . 1 519 1815 52 GLY HA2 H 4.30 . 2 520 1815 52 GLY HA3 H 3.831 . 2 521 1815 52 GLY CA C 45.557 . 1 522 1815 52 GLY N N 129.89 . 1 523 1816 53 GLY H H 7.765 . 1 524 1816 53 GLY HA2 H 3.885 . 2 525 1816 53 GLY HA3 H 3.985 . 2 526 1816 53 GLY CA C 45.792 . 1 527 1816 53 GLY N N 128.949 . 1 528 1817 54 CYS H H 8.8 . 1 529 1817 54 CYS HA H 4.821 . 1 530 1817 54 CYS HB2 H 2.637 . 2 531 1817 54 CYS HB3 H 2.900 . 2 532 1817 54 CYS CA C 55.138 . 1 533 1817 54 CYS CB C 30.966 . 1 534 1817 54 CYS N N 122.429 . 1 535 1818 55 PRO HA H 4.330 . 1 536 1818 55 PRO HB2 H 1.982 . 2 537 1818 55 PRO HB3 H 2.403 . 2 538 1818 55 PRO HD2 H 4.43 . 1 539 1818 55 PRO HD3 H 4.43 . 1 540 1818 55 PRO HG2 H 2.135 . 1 541 1818 55 PRO HG3 H 2.135 . 1 542 1818 55 PRO CA C 64.787 . 1 543 1818 55 PRO CB C 32.613 . 1 544 1818 55 PRO CD C 51.675 . 1 545 1818 55 PRO CG C 27.436 . 1 546 1819 56 VAL H H 7.750 . 1 547 1819 56 VAL HA H 3.884 . 1 548 1819 56 VAL HB H 1.809 . 1 549 1819 56 VAL HG1 H 0.943 . 4 550 1819 56 VAL HG2 H 0.890 . 1 551 1819 56 VAL CA C 65.728 . 1 552 1819 56 VAL CB C 32.849 . 1 553 1819 56 VAL CG1 C 21.855 . 2 554 1819 56 VAL CG2 C 23.502 . 2 555 1819 56 VAL N N 121.605 . 1 556 1820 57 CYS H H 8.884 . 1 557 1820 57 CYS HA H 4.106 . 1 558 1820 57 CYS HB2 H 2.707 . 2 559 1820 57 CYS HB3 H 2.940 . 2 560 1820 57 CYS CA C 65.728 . 1 561 1820 57 CYS CB C 30.25 . 1 562 1820 57 CYS N N 124.26 . 1 563 1821 58 LYS H H 8.133 . 1 564 1821 58 LYS HA H 3.942 . 1 565 1821 58 LYS HB2 H 1.773 . 2 566 1821 58 LYS HB3 H 1.872 . 2 567 1821 58 LYS HD2 H 1.660 . 1 568 1821 58 LYS HD3 H 1.660 . 1 569 1821 58 LYS HE2 H 2.917 . 1 570 1821 58 LYS HE3 H 2.917 . 1 571 1821 58 LYS HG2 H 1.365 . 2 572 1821 58 LYS HG3 H 1.583 . 2 573 1821 58 LYS CA C 59.610 . 1 574 1821 58 LYS CB C 32.849 . 1 575 1821 58 LYS CD C 29.675 . 1 576 1821 58 LYS CE C 41.791 . 1 577 1821 58 LYS CG C 26.038 . 1 578 1821 58 LYS N N 117.129 . 1 579 1822 59 GLN H H 7.318 . 1 580 1822 59 GLN HA H 4.357 . 1 581 1822 59 GLN HB2 H 2.51 . 2 582 1822 59 GLN HB3 H 2.124 . 2 583 1822 59 GLN HE21 H 6.772 . 2 584 1822 59 GLN HG2 H 2.582 . 1 585 1822 59 GLN HG3 H 2.582 . 1 586 1822 59 GLN N N 117.943 . 1 587 1823 60 LEU H H 8.667 . 1 588 1823 60 LEU HA H 4.95 . 1 589 1823 60 LEU HB2 H 1.541 . 1 590 1823 60 LEU HB3 H 1.541 . 1 591 1823 60 LEU HD1 H 0.977 . 1 592 1823 60 LEU HD2 H 1.48 . 4 593 1823 60 LEU HG H 1.848 . 1 594 1823 60 LEU CD1 C 24.444 . 2 595 1823 60 LEU CD2 C 26.024 . 2 596 1823 60 LEU CG C 27.835 . 1 597 1823 60 LEU N N 120.670 . 1 598 1824 61 ILE H H 8.780 . 1 599 1824 61 ILE HA H 3.614 . 1 600 1824 61 ILE HB H 1.827 . 1 601 1824 61 ILE HD1 H 0.527 . 1 602 1824 61 ILE HG12 H 0.851 . 9 603 1824 61 ILE HG13 H 1.445 . 1 604 1824 61 ILE HG2 H 0.793 . 2 605 1824 61 ILE CA C 64.787 . 1 606 1824 61 ILE CB C 37.320 . 1 607 1824 61 ILE CD1 C 13.148 . 1 608 1824 61 ILE CG1 C 30.26 . 2 609 1824 61 ILE CG2 C 18.90 . 2 610 1824 61 ILE N N 119.837 . 1 611 1825 62 ALA H H 7.675 . 1 612 1825 62 ALA HA H 4.112 . 1 613 1825 62 ALA HB H 1.511 . 1 614 1825 62 ALA CA C 55.374 . 1 615 1825 62 ALA CB C 18.56 . 1 616 1825 62 ALA N N 122.779 . 1 617 1826 63 LEU H H 7.983 . 1 618 1826 63 LEU HA H 4.114 . 1 619 1826 63 LEU HB2 H 1.733 . 2 620 1826 63 LEU HB3 H 2.145 . 2 621 1826 63 LEU HD1 H 1.19 . 1 622 1826 63 LEU HD2 H 1.145 . 4 623 1826 63 LEU HG H 2.22 . 1 624 1826 63 LEU CA C 58.334 . 1 625 1826 63 LEU CB C 42.821 . 1 626 1826 63 LEU CD1 C 25.150 . 2 627 1826 63 LEU CD2 C 26.965 . 2 628 1826 63 LEU CG C 27.232 . 1 629 1826 63 LEU N N 118.291 . 1 630 1827 64 CYS H H 8.663 . 1 631 1827 64 CYS HA H 4.35 . 1 632 1827 64 CYS HB2 H 3.229 . 2 633 1827 64 CYS HB3 H 2.978 . 2 634 1827 64 CYS CA C 64.80 . 1 635 1827 64 CYS CB C 26.495 . 1 636 1827 64 CYS N N 118.409 . 1 637 1828 65 CYS H H 8.672 . 1 638 1828 65 CYS HA H 4.152 . 1 639 1828 65 CYS HB2 H 3.114 . 2 640 1828 65 CYS HB3 H 2.803 . 2 641 1828 65 CYS CA C 63.547 . 1 642 1828 65 CYS CB C 26.495 . 1 643 1828 65 CYS N N 118.996 . 1 644 1829 66 TYR H H 7.837 . 1 645 1829 66 TYR HA H 4.199 . 1 646 1829 66 TYR HB2 H 3.178 . 2 647 1829 66 TYR HB3 H 3.239 . 2 648 1829 66 TYR HD1 H 7.147 . 1 649 1829 66 TYR HD2 H 7.147 . 1 650 1829 66 TYR HE1 H 6.813 . 1 651 1829 66 TYR HE2 H 6.813 . 1 652 1829 66 TYR CA C 61.22 . 1 653 1829 66 TYR CB C 38.261 . 1 654 1829 66 TYR CD1 C 131.723 . 3 655 1829 66 TYR CE1 C 116.662 . 3 656 1829 66 TYR N N 120.65 . 1 657 1830 67 HIS H H 8.323 . 1 658 1830 67 HIS HA H 4.341 . 1 659 1830 67 HIS HB2 H 3.194 . 2 660 1830 67 HIS HB3 H 3.575 . 2 661 1830 67 HIS HD2 H 7.176 . 3 662 1830 67 HIS HE1 H 8.60 . 1 663 1830 67 HIS CA C 58.668 . 1 664 1830 67 HIS CB C 27.907 . 1 665 1830 67 HIS CD2 C 128.193 . 1 666 1830 67 HIS CE1 C 138.312 . 1 667 1830 67 HIS N N 117.149 . 1 668 1831 68 ALA H H 8.693 . 1 669 1831 68 ALA HA H 4.25 . 1 670 1831 68 ALA HB H 1.609 . 1 671 1831 68 ALA CA C 55.205 . 1 672 1831 68 ALA CB C 20.695 . 1 673 1831 68 ALA N N 121.519 . 1 674 1832 69 LYS H H 7.126 . 1 675 1832 69 LYS HA H 3.737 . 1 676 1832 69 LYS HB2 H 1.425 . 2 677 1832 69 LYS HB3 H 1.594 . 2 678 1832 69 LYS HD2 H 1.517 . 2 679 1832 69 LYS HD3 H 1.554 . 2 680 1832 69 LYS HE2 H 2.844 . 1 681 1832 69 LYS HE3 H 2.844 . 1 682 1832 69 LYS HG2 H 1.81 . 2 683 1832 69 LYS HG3 H 1.252 . 2 684 1832 69 LYS CA C 57.962 . 1 685 1832 69 LYS CB C 32.613 . 1 686 1832 69 LYS CD C 29.319 . 1 687 1832 69 LYS CE C 42.27 . 1 688 1832 69 LYS CG C 25.620 . 1 689 1832 69 LYS N N 114.376 . 1 690 1833 70 HIS H H 6.884 . 1 691 1833 70 HIS HA H 4.711 . 1 692 1833 70 HIS HB2 H 2.785 . 2 693 1833 70 HIS HB3 H 3.327 . 2 694 1833 70 HIS HD2 H 6.894 . 3 695 1833 70 HIS HE1 H 7.646 . 1 696 1833 70 HIS CA C 54.97 . 1 697 1833 70 HIS CB C 31.201 . 1 698 1833 70 HIS CD2 C 120.192 . 1 699 1833 70 HIS CE1 C 136.41 . 1 700 1833 70 HIS N N 113.369 . 1 701 1834 71 CYS H H 6.969 . 1 702 1834 71 CYS HA H 4.21 . 1 703 1834 71 CYS HB2 H 1.781 . 2 704 1834 71 CYS HB3 H 2.423 . 2 705 1834 71 CYS CA C 60.80 . 1 706 1834 71 CYS CB C 30.25 . 1 707 1834 71 CYS N N 123.813 . 1 708 1835 72 GLN H H 9.101 . 1 709 1835 72 GLN HA H 4.646 . 1 710 1835 72 GLN HB2 H 1.805 . 2 711 1835 72 GLN HB3 H 2.434 . 2 712 1835 72 GLN HE21 H 6.773 . 2 713 1835 72 GLN HE22 H 7.332 . 2 714 1835 72 GLN HG2 H 2.303 . 2 715 1835 72 GLN HG3 H 2.368 . 2 716 1835 72 GLN CA C 54.735 . 1 717 1835 72 GLN CB C 29.319 . 1 718 1835 72 GLN CG C 33.319 . 1 719 1835 72 GLN N N 128.430 . 1 720 1835 72 GLN NE2 N 112.584 . 1 721 1836 73 GLU H H 8.331 . 1 722 1836 73 GLU HA H 4.365 . 1 723 1836 73 GLU HB2 H 1.966 . 2 724 1836 73 GLU HG2 H 2.298 . 2 725 1836 73 GLU HG3 H 2.374 . 2 726 1836 73 GLU CA C 55.374 . 1 727 1836 73 GLU CB C 30.731 . 1 728 1836 73 GLU CG C 35.908 . 1 729 1836 73 GLU N N 123.251 . 1 730 1837 74 ASN HA H 4.512 . 1 731 1837 74 ASN HB2 H 2.813 . 1 732 1837 74 ASN HB3 H 2.813 . 1 733 1837 74 ASN HD21 H 6.978 . 2 734 1837 74 ASN HD22 H 7.614 . 2 735 1837 74 ASN CA C 54.97 . 1 736 1837 74 ASN CB C 38.732 . 1 737 1837 74 ASN ND2 N 112.824 . 1 738 1838 75 LYS H H 8.779 . 1 739 1838 75 LYS HA H 4.424 . 1 740 1838 75 LYS HB2 H 1.622 . 2 741 1838 75 LYS HB3 H 1.892 . 2 742 1838 75 LYS HD2 H 1.640 . 2 743 1838 75 LYS HD3 H 1.679 . 2 744 1838 75 LYS HE2 H 2.958 . 1 745 1838 75 LYS HE3 H 2.958 . 1 746 1838 75 LYS HG2 H 1.294 . 2 747 1838 75 LYS HG3 H 1.351 . 2 748 1838 75 LYS CA C 54.735 . 1 749 1838 75 LYS CB C 30.966 . 1 750 1838 75 LYS CD C 29.83 . 1 751 1838 75 LYS CE C 41.791 . 1 752 1838 75 LYS CG C 25.150 . 1 753 1838 75 LYS N N 121.350 . 1 754 1839 76 CYS H H 7.59 . 1 755 1839 76 CYS HA H 4.361 . 1 756 1839 76 CYS HB2 H 2.814 . 2 757 1839 76 CYS HB3 H 2.939 . 2 758 1839 76 CYS CA C 57.256 . 1 759 1839 76 CYS CB C 30.731 . 1 760 1839 76 CYS N N 124.209 . 1 761 1840 77 PRO HA H 4.651 . 1 762 1840 77 PRO HB2 H 1.823 . 2 763 1840 77 PRO HB3 H 2.45 . 2 764 1840 77 PRO HD2 H 3.815 . 2 765 1840 77 PRO HD3 H 4.220 . 2 766 1840 77 PRO HG2 H 1.675 . 2 767 1840 77 PRO HG3 H 2.6 . 2 768 1840 77 PRO CA C 62.669 . 1 769 1840 77 PRO CB C 32.849 . 1 770 1840 77 PRO CD C 51.440 . 1 771 1840 77 PRO CG C 26.73 . 1 772 1841 78 VAL H H 8.962 . 1 773 1841 78 VAL HA H 4.199 . 1 774 1841 78 VAL HB H 2.191 . 1 775 1841 78 VAL HG1 H 0.809 . 4 776 1841 78 VAL HG2 H 0.436 . 1 777 1841 78 VAL CA C 61.257 . 1 778 1841 78 VAL CB C 31.672 . 1 779 1841 78 VAL CG1 C 21.620 . 2 780 1841 78 VAL CG2 C 23.738 . 1 781 1841 78 VAL N N 128.606 . 1 782 1842 79 PRO HA H 3.936 . 1 783 1842 79 PRO HB2 H 1.623 . 2 784 1842 79 PRO HB3 H 1.772 . 2 785 1842 79 PRO HD2 H 3.455 . 2 786 1842 79 PRO HD3 H 4.118 . 2 787 1842 79 PRO HG2 H 1.886 . 1 788 1842 79 PRO HG3 H 1.886 . 1 789 1842 79 PRO CA C 63.846 . 1 790 1842 79 PRO CB C 30.731 . 1 791 1842 79 PRO CD C 51.675 . 1 792 1842 79 PRO CG C 28.142 . 1 793 1843 80 PHE HA H 4.255 . 1 794 1843 80 PHE HB2 H 3.338 . 2 795 1843 80 PHE HB3 H 3.458 . 2 796 1843 80 PHE HD1 H 7.252 . 1 797 1843 80 PHE HD2 H 7.252 . 1 798 1843 80 PHE HE1 H 7.247 . 1 799 1843 80 PHE HE2 H 7.247 . 1 800 1843 80 PHE CA C 59.374 . 1 801 1843 80 PHE CB C 37.791 . 1 802 1843 80 PHE CD1 C 129.84 . 3 803 1843 80 PHE CE1 C 131.123 . 3 804 1844 81 CYS H H 7.660 . 1 805 1844 81 CYS HA H 3.997 . 1 806 1844 81 CYS HB2 H 2.811 . 2 807 1844 81 CYS HB3 H 3.185 . 2 808 1844 81 CYS CA C 64.552 . 1 809 1844 81 CYS CB C 30.495 . 1 810 1844 81 CYS N N 124.104 . 1 811 1845 82 LEU H H 8.170 . 1 812 1845 82 LEU HA H 3.988 . 1 813 1845 82 LEU HB2 H 1.757 . 2 814 1845 82 LEU HB3 H 1.534 . 2 815 1845 82 LEU HD1 H 0.952 . 1 816 1845 82 LEU HD2 H 0.929 . 4 817 1845 82 LEU HG H 1.703 . 1 818 1845 82 LEU CA C 57.962 . 1 819 1845 82 LEU CB C 41.321 . 1 820 1845 82 LEU CD1 C 25.318 . 1 821 1845 82 LEU CD2 C 24.914 . 2 822 1845 82 LEU CG C 27.436 . 1 823 1845 82 LEU N N 115.95 . 1 824 1846 83 ASN H H 7.826 . 1 825 1846 83 ASN HA H 4.447 . 1 826 1846 83 ASN HB2 H 2.899 . 1 827 1846 83 ASN HB3 H 2.899 . 1 828 1846 83 ASN HD21 H 7.31 . 2 829 1846 83 ASN HD22 H 7.712 . 2 830 1846 83 ASN CA C 56.80 . 1 831 1846 83 ASN CB C 38.967 . 1 832 1846 83 ASN N N 116.117 . 1 833 1846 83 ASN ND2 N 111.767 . 1 834 1847 84 ILE H H 8.607 . 1 835 1847 84 ILE HA H 3.718 . 1 836 1847 84 ILE HB H 1.956 . 1 837 1847 84 ILE HD1 H 0.847 . 1 838 1847 84 ILE HG12 H 1.76 . 9 839 1847 84 ILE HG13 H 1.873 . 9 840 1847 84 ILE HG2 H 0.919 . 2 841 1847 84 ILE CA C 64.787 . 1 842 1847 84 ILE CB C 38.497 . 1 843 1847 84 ILE CD1 C 15.266 . 1 844 1847 84 ILE CG1 C 30.087 . 2 845 1847 84 ILE CG2 C 19.31 . 2 846 1847 84 ILE N N 121.553 . 1 847 1848 85 LYS H H 8.855 . 1 848 1848 85 LYS HA H 3.859 . 1 849 1848 85 LYS HB2 H 1.724 . 2 850 1848 85 LYS HB3 H 1.950 . 2 851 1848 85 LYS HD2 H 1.650 . 2 852 1848 85 LYS HD3 H 1.770 . 2 853 1848 85 LYS HE2 H 3.109 . 2 854 1848 85 LYS HE3 H 3.372 . 2 855 1848 85 LYS HG2 H 1.376 . 2 856 1848 85 LYS HG3 H 1.977 . 2 857 1848 85 LYS CA C 60.551 . 1 858 1848 85 LYS CB C 32.613 . 1 859 1848 85 LYS CD C 30.531 . 1 860 1848 85 LYS CE C 42.262 . 1 861 1848 85 LYS CG C 26.259 . 1 862 1848 85 LYS N N 119.992 . 1 863 1849 86 HIS H H 8.1 . 1 864 1849 86 HIS HA H 4.411 . 1 865 1849 86 HIS HB2 H 3.245 . 1 866 1849 86 HIS HB3 H 3.245 . 1 867 1849 86 HIS HD2 H 7.4 . 3 868 1849 86 HIS HE1 H 7.820 . 1 869 1849 86 HIS CA C 58.433 . 1 870 1849 86 HIS CB C 30.495 . 1 871 1849 86 HIS CD2 C 119.312 . 1 872 1849 86 HIS CE1 C 136.665 . 1 873 1849 86 HIS N N 117.237 . 1 874 1850 87 LYS H H 7.685 . 1 875 1850 87 LYS HA H 4.128 . 1 876 1850 87 LYS HB2 H 1.966 . 1 877 1850 87 LYS HB3 H 1.966 . 1 878 1850 87 LYS HD2 H 1.684 . 1 879 1850 87 LYS HD3 H 1.684 . 1 880 1850 87 LYS HE2 H 2.989 . 1 881 1850 87 LYS HE3 H 2.989 . 1 882 1850 87 LYS HG2 H 1.488 . 2 883 1850 87 LYS HG3 H 1.554 . 2 884 1850 87 LYS CA C 57.727 . 1 885 1850 87 LYS CB C 32.378 . 1 886 1850 87 LYS CD C 28.848 . 1 887 1850 87 LYS CE C 42.27 . 1 888 1850 87 LYS CG C 25.385 . 1 889 1850 87 LYS N N 119.118 . 1 890 1851 88 LEU H H 8.230 . 1 891 1851 88 LEU HA H 4.174 . 1 892 1851 88 LEU HB2 H 1.524 . 2 893 1851 88 LEU HB3 H 1.817 . 2 894 1851 88 LEU HD1 H 0.825 . 1 895 1851 88 LEU HD2 H 0.822 . 4 896 1851 88 LEU HG H 1.810 . 1 897 1851 88 LEU CA C 56.80 . 1 898 1851 88 LEU CB C 42.262 . 1 899 1851 88 LEU CD1 C 23.267 . 2 900 1851 88 LEU CD2 C 25.265 . 2 901 1851 88 LEU CG C 26.73 . 1 902 1851 88 LEU N N 119.305 . 1 903 1852 89 ARG H H 7.765 . 1 904 1852 89 ARG HA H 4.245 . 1 905 1852 89 ARG HB2 H 1.884 . 1 906 1852 89 ARG HB3 H 1.884 . 1 907 1852 89 ARG HD2 H 3.182 . 1 908 1852 89 ARG HD3 H 3.182 . 1 909 1852 89 ARG HG2 H 1.568 . 2 910 1852 89 ARG HG3 H 1.717 . 2 911 1852 89 ARG CA C 56.550 . 1 912 1852 89 ARG CB C 30.260 . 1 913 1852 89 ARG CD C 43.674 . 1 914 1852 89 ARG CG C 27.436 . 1 915 1852 89 ARG N N 118.302 . 1 916 1853 90 GLN H H 7.851 . 1 917 1853 90 GLN HA H 4.262 . 1 918 1853 90 GLN HB2 H 2.12 . 2 919 1853 90 GLN HB3 H 2.136 . 2 920 1853 90 GLN HE21 H 6.802 . 2 921 1853 90 GLN HE22 H 7.358 . 2 922 1853 90 GLN HG2 H 2.356 . 1 923 1853 90 GLN HG3 H 2.356 . 1 924 1853 90 GLN CA C 55.609 . 1 925 1853 90 GLN CB C 29.554 . 1 926 1853 90 GLN CG C 33.79 . 1 927 1853 90 GLN N N 119.45 . 1 928 1853 90 GLN NE2 N 112.171 . 1 929 1854 91 GLN H H 8.71 . 1 930 1854 91 GLN HA H 4.317 . 1 931 1854 91 GLN HB2 H 2.11 . 2 932 1854 91 GLN HB3 H 2.136 . 2 933 1854 91 GLN HE21 H 6.798 . 2 934 1854 91 GLN HE22 H 7.567 . 2 935 1854 91 GLN HG2 H 2.365 . 1 936 1854 91 GLN HG3 H 2.365 . 1 937 1854 91 GLN CA C 55.609 . 1 938 1854 91 GLN CB C 29.554 . 1 939 1854 91 GLN CG C 33.79 . 1 940 1854 91 GLN N N 120.675 . 1 941 1854 91 GLN NE2 N 112.398 . 1 942 1855 92 GLN H H 7.945 . 1 943 1855 92 GLN HA H 4.145 . 1 944 1855 92 GLN HB2 H 1.923 . 2 945 1855 92 GLN HB3 H 2.112 . 2 946 1855 92 GLN HE21 H 6.772 . 2 947 1855 92 GLN HE22 H 7.486 . 2 948 1855 92 GLN HG2 H 2.299 . 1 949 1855 92 GLN HG3 H 2.299 . 1 950 1855 92 GLN CA C 57.21 . 1 951 1855 92 GLN CB C 30.731 . 1 952 1855 92 GLN CG C 34.496 . 1 953 1855 92 GLN N N 126.700 . 1 954 1855 92 GLN NE2 N 112.236 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' stop_ loop_ _Sample_label $E1A:TAZ2_2 stop_ _Sample_conditions_label $10_mM_dTris_pH_6.8 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name E1A _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 50 1 SER HA H 4.487 . 1 2 50 1 SER HB2 H 3.817 . 1 3 50 1 SER HB3 H 3.817 . 1 4 50 1 SER CA C 57.727 . 1 5 50 1 SER CB C 63.375 . 1 6 51 2 HIS HA H 4.636 . 1 7 51 2 HIS HB2 H 3.90 . 2 8 51 2 HIS HB3 H 3.144 . 2 9 51 2 HIS HD2 H 7.43 . 2 10 51 2 HIS HE1 H 7.934 . 1 11 51 2 HIS CA C 55.844 . 1 12 51 2 HIS CB C 30.495 . 1 13 51 2 HIS CD2 C 118.65 . 1 14 51 2 HIS CE1 C 136.76 . 1 15 52 3 MET H H 8.230 . 1 16 52 3 MET HA H 4.430 . 1 17 52 3 MET HB2 H 1.914 . 2 18 52 3 MET HB3 H 2.36 . 2 19 52 3 MET HG2 H 2.417 . 2 20 52 3 MET HG3 H 2.495 . 2 21 52 3 MET CA C 54.903 . 1 22 52 3 MET CB C 33.84 . 1 23 52 3 MET CG C 31.907 . 1 24 52 3 MET N N 121.881 . 1 25 53 4 ALA H H 8.269 . 1 26 53 4 ALA HA H 4.586 . 1 27 53 4 ALA HB H 1.365 . 1 28 53 4 ALA CA C 51.255 . 1 29 53 4 ALA CB C 18.796 . 1 30 53 4 ALA N N 126.758 . 1 31 54 5 PRO HA H 4.705 . 1 32 54 5 PRO HB2 H 1.892 . 2 33 54 5 PRO HB3 H 2.312 . 2 34 54 5 PRO HD2 H 3.653 . 2 35 54 5 PRO HD3 H 3.780 . 2 36 54 5 PRO HG2 H 2.19 . 1 37 54 5 PRO HG3 H 2.19 . 1 38 54 5 PRO CA C 61.257 . 1 39 54 5 PRO CB C 30.966 . 1 40 54 5 PRO CD C 50.499 . 1 41 54 5 PRO CG C 27.907 . 1 42 55 6 GLU H H 8.468 . 1 43 55 6 GLU HA H 4.150 . 1 44 55 6 GLU HB2 H 1.950 . 1 45 55 6 GLU HB3 H 1.950 . 1 46 55 6 GLU HG2 H 2.191 . 2 47 55 6 GLU HG3 H 2.269 . 2 48 55 6 GLU CA C 56.550 . 1 49 55 6 GLU CB C 30.495 . 1 50 55 6 GLU CG C 36.379 . 1 51 55 6 GLU N N 121.693 . 1 52 56 7 ASP H H 8.574 . 1 53 56 7 ASP HA H 5.2 . 1 54 56 7 ASP HB2 H 2.677 . 2 55 56 7 ASP HB3 H 3.123 . 2 56 56 7 ASP CA C 51.255 . 1 57 56 7 ASP CB C 42.262 . 1 58 56 7 ASP N N 120.873 . 1 59 57 8 PRO HA H 4.465 . 1 60 57 8 PRO HB2 H 1.957 . 2 61 57 8 PRO HB3 H 2.372 . 2 62 57 8 PRO HD2 H 3.863 . 2 63 57 8 PRO HD3 H 3.975 . 2 64 57 8 PRO HG2 H 1.944 . 2 65 57 8 PRO HG3 H 2.41 . 2 66 57 8 PRO CA C 63.610 . 1 67 57 8 PRO CB C 32.378 . 1 68 57 8 PRO CD C 51.440 . 1 69 57 8 PRO CG C 26.73 . 1 70 58 9 ASN H H 8.301 . 1 71 58 9 ASN HA H 4.809 . 1 72 58 9 ASN HB2 H 2.819 . 1 73 58 9 ASN HB3 H 2.819 . 1 74 58 9 ASN HD21 H 6.779 . 2 75 58 9 ASN HD22 H 7.336 . 2 76 58 9 ASN CA C 53.558 . 1 77 58 9 ASN CB C 38.497 . 1 78 58 9 ASN N N 117.19 . 1 79 58 9 ASN ND2 N 110.925 . 1 80 59 10 GLU H H 7.366 . 1 81 59 10 GLU HA H 3.641 . 1 82 59 10 GLU HB2 H 2.225 . 1 83 59 10 GLU HB3 H 2.225 . 1 84 59 10 GLU HG2 H 2.215 . 1 85 59 10 GLU HG3 H 2.215 . 1 86 59 10 GLU CA C 60.80 . 1 87 59 10 GLU CB C 29.554 . 1 88 59 10 GLU CG C 35.908 . 1 89 59 10 GLU N N 122.354 . 1 90 60 11 GLU H H 8.618 . 1 91 60 11 GLU HA H 3.933 . 1 92 60 11 GLU HB2 H 2.26 . 1 93 60 11 GLU HB3 H 2.26 . 1 94 60 11 GLU HG2 H 2.122 . 2 95 60 11 GLU HG3 H 2.268 . 2 96 60 11 GLU CA C 59.139 . 1 97 60 11 GLU CB C 29.83 . 1 98 60 11 GLU CG C 36.379 . 1 99 60 11 GLU N N 120.391 . 1 100 61 12 ALA H H 8.280 . 1 101 61 12 ALA HA H 4.18 . 1 102 61 12 ALA HB H 1.599 . 1 103 61 12 ALA CA C 55.205 . 1 104 61 12 ALA CB C 20.695 . 1 105 61 12 ALA N N 122.378 . 1 106 62 13 VAL H H 7.773 . 1 107 62 13 VAL HA H 3.974 . 1 108 62 13 VAL HB H 2.162 . 1 109 62 13 VAL HG1 H 1.297 . 4 110 62 13 VAL HG2 H 1.149 . 1 111 62 13 VAL CA C 66.199 . 1 112 62 13 VAL CB C 31.907 . 1 113 62 13 VAL CG1 C 24.679 . 2 114 62 13 VAL CG2 C 22.796 . 1 115 62 13 VAL N N 116.653 . 1 116 63 14 SER H H 8.288 . 1 117 63 14 SER HA H 4.62 . 1 118 63 14 SER HB2 H 3.918 . 2 119 63 14 SER HB3 H 4.8 . 2 120 63 14 SER CA C 60.786 . 1 121 63 14 SER CB C 62.434 . 1 122 63 14 SER N N 115.328 . 1 123 64 15 GLN H H 7.775 . 1 124 64 15 GLN HA H 4.19 . 1 125 64 15 GLN HB2 H 2.24 . 2 126 64 15 GLN HB3 H 2.216 . 2 127 64 15 GLN HE21 H 6.745 . 2 128 64 15 GLN HE22 H 7.492 . 2 129 64 15 GLN HG2 H 2.317 . 2 130 64 15 GLN HG3 H 2.512 . 2 131 64 15 GLN CA C 57.492 . 1 132 64 15 GLN CB C 28.613 . 1 133 64 15 GLN CG C 34.261 . 1 134 64 15 GLN N N 119.350 . 1 135 64 15 GLN NE2 N 111.779 . 1 136 65 16 ILE H H 7.217 . 1 137 65 16 ILE HA H 3.788 . 1 138 65 16 ILE HB H 1.740 . 1 139 65 16 ILE HD1 H 0.605 . 1 140 65 16 ILE HG12 H 1.313 . 9 141 65 16 ILE HG2 H 0.251 . 2 142 65 16 ILE CA C 61.492 . 1 143 65 16 ILE CB C 37.320 . 1 144 65 16 ILE CD1 C 12.206 . 1 145 65 16 ILE CG1 C 28.142 . 1 146 65 16 ILE CG2 C 18.560 . 1 147 65 16 ILE N N 117.427 . 1 148 66 17 PHE H H 8.370 . 1 149 66 17 PHE HA H 4.407 . 1 150 66 17 PHE HB2 H 2.913 . 1 151 66 17 PHE HB3 H 2.913 . 1 152 66 17 PHE HD1 H 7.144 . 3 153 66 17 PHE HD2 H 6.788 . 3 154 66 17 PHE HE1 H 7.242 . 3 155 66 17 PHE HE2 H 7.361 . 3 156 66 17 PHE CA C 55.374 . 1 157 66 17 PHE CB C 42.27 . 1 158 66 17 PHE CE1 C 129.605 . 2 159 66 17 PHE CE2 C 129.37 . 1 160 66 17 PHE N N 117.389 . 1 161 67 18 PRO HA H 4.784 . 1 162 67 18 PRO HB2 H 1.983 . 2 163 67 18 PRO HB3 H 2.507 . 2 164 67 18 PRO HD2 H 3.296 . 1 165 67 18 PRO HD3 H 3.296 . 1 166 67 18 PRO HG2 H 1.882 . 1 167 67 18 PRO HG3 H 1.882 . 1 168 67 18 PRO CA C 62.669 . 1 169 67 18 PRO CB C 32.378 . 1 170 67 18 PRO CD C 50.263 . 1 171 67 18 PRO CG C 27.671 . 1 172 68 19 ASP H H 9.127 . 1 173 68 19 ASP HA H 4.261 . 1 174 68 19 ASP HB2 H 2.662 . 1 175 68 19 ASP HB3 H 2.662 . 1 176 68 19 ASP CA C 57.927 . 1 177 68 19 ASP CB C 40.451 . 1 178 68 19 ASP N N 123.618 . 1 179 69 20 SER H H 8.624 . 1 180 69 20 SER HA H 4.816 . 1 181 69 20 SER N N 112.914 . 1 182 70 21 VAL H H 7.38 . 1 183 70 21 VAL HA H 3.958 . 1 184 70 21 VAL HB H 2.71 . 1 185 70 21 VAL HG1 H 1.4 . 4 186 70 21 VAL HG2 H 0.970 . 1 187 70 21 VAL CA C 64.316 . 1 188 70 21 VAL CB C 32.378 . 1 189 70 21 VAL CG1 C 23.32 . 2 190 70 21 VAL CG2 C 21.384 . 1 191 70 21 VAL N N 123.280 . 1 192 71 22 MET H H 7.638 . 1 193 71 22 MET HA H 4.266 . 1 194 71 22 MET HB2 H 2.446 . 2 195 71 22 MET HB3 H 2.554 . 2 196 71 22 MET HE H 1.810 . 1 197 71 22 MET CA C 55.844 . 1 198 71 22 MET CB C 31.907 . 1 199 71 22 MET CE C 16.207 . 1 200 71 22 MET N N 117.825 . 1 201 72 23 LEU H H 8.102 . 1 202 72 23 LEU HA H 4.132 . 1 203 72 23 LEU HB2 H 1.595 . 2 204 72 23 LEU HB3 H 1.690 . 2 205 72 23 LEU HD1 H 0.862 . 1 206 72 23 LEU HD2 H 0.831 . 4 207 72 23 LEU HG H 1.674 . 1 208 72 23 LEU CA C 56.786 . 1 209 72 23 LEU CB C 42.27 . 1 210 72 23 LEU CD1 C 25.385 . 1 211 72 23 LEU CD2 C 24.679 . 2 212 72 23 LEU CG C 27.201 . 1 213 72 23 LEU N N 119.633 . 1 214 73 24 ALA H H 7.464 . 1 215 73 24 ALA HA H 4.197 . 1 216 73 24 ALA HB H 1.541 . 1 217 73 24 ALA CA C 84.84 . 1 218 73 24 ALA CB C 19.266 . 1 219 73 24 ALA N N 120.682 . 1 220 74 25 VAL H H 7.668 . 1 221 74 25 VAL HA H 4.258 . 1 222 74 25 VAL HB H 2.345 . 1 223 74 25 VAL HG1 H 0.944 . 4 224 74 25 VAL HG2 H 0.816 . 1 225 74 25 VAL CA C 62.434 . 1 226 74 25 VAL CB C 31.672 . 1 227 74 25 VAL CG1 C 22.326 . 2 228 74 25 VAL CG2 C 20.914 . 1 229 74 25 VAL N N 112.53 . 1 230 75 26 GLN H H 7.806 . 1 231 75 26 GLN HA H 4.308 . 1 232 75 26 GLN HB2 H 2.207 . 1 233 75 26 GLN HB3 H 2.207 . 1 234 75 26 GLN HE21 H 6.877 . 2 235 75 26 GLN HE22 H 7.595 . 2 236 75 26 GLN HG2 H 2.462 . 1 237 75 26 GLN HG3 H 2.462 . 1 238 75 26 GLN CA C 56.786 . 1 239 75 26 GLN CB C 29.554 . 1 240 75 26 GLN CG C 34.261 . 1 241 75 26 GLN N N 121.794 . 1 242 75 26 GLN NE2 N 112.72 . 1 243 76 27 GLU H H 8.340 . 1 244 76 27 GLU HA H 4.349 . 1 245 76 27 GLU HB2 H 2.1 . 2 246 76 27 GLU HB3 H 2.139 . 2 247 76 27 GLU HG2 H 2.313 . 2 248 76 27 GLU HG3 H 2.355 . 2 249 76 27 GLU CA C 56.315 . 1 250 76 27 GLU CB C 30.495 . 1 251 76 27 GLU CG C 36.875 . 1 252 76 27 GLU N N 120.410 . 1 253 77 28 GLY H H 8.295 . 1 254 77 28 GLY HA2 H 3.938 . 2 255 77 28 GLY HA3 H 4.19 . 2 256 77 28 GLY CA C 45.792 . 1 257 77 28 GLY N N 109.255 . 1 258 78 29 ILE H H 7.889 . 1 259 78 29 ILE HA H 4.166 . 1 260 78 29 ILE HB H 1.865 . 1 261 78 29 ILE HD1 H 0.822 . 1 262 78 29 ILE HG12 H 1.140 . 9 263 78 29 ILE HG13 H 1.427 . 9 264 78 29 ILE HG2 H 0.867 . 2 265 78 29 ILE CA C 60.786 . 1 266 78 29 ILE CB C 39.203 . 1 267 78 29 ILE CD1 C 13.854 . 1 268 78 29 ILE CG1 C 27.436 . 1 269 78 29 ILE CG2 C 18.90 . 1 270 78 29 ILE N N 119.126 . 1 271 79 30 ASP H H 8.442 . 1 272 79 30 ASP HA H 4.577 . 1 273 79 30 ASP HB2 H 2.587 . 2 274 79 30 ASP HB3 H 2.693 . 2 275 79 30 ASP CA C 55.255 . 1 276 79 30 ASP CB C 41.85 . 1 277 79 30 ASP N N 123.665 . 1 278 80 31 LEU H H 8.141 . 1 279 80 31 LEU HA H 4.292 . 1 280 80 31 LEU HB2 H 1.455 . 2 281 80 31 LEU HB3 H 1.664 . 2 282 80 31 LEU HD1 H 0.881 . 1 283 80 31 LEU HD2 H 0.808 . 4 284 80 31 LEU HG H 1.608 . 1 285 80 31 LEU CA C 55.205 . 1 286 80 31 LEU CB C 42.262 . 1 287 80 31 LEU CD1 C 25.318 . 1 288 80 31 LEU CD2 C 24.208 . 2 289 80 31 LEU CG C 27.201 . 1 290 80 31 LEU N N 122.359 . 1 291 81 32 LEU H H 8.84 . 1 292 81 32 LEU HA H 4.256 . 1 293 81 32 LEU HB2 H 1.554 . 2 294 81 32 LEU HB3 H 1.621 . 2 295 81 32 LEU HD1 H 0.881 . 1 296 81 32 LEU HD2 H 0.812 . 4 297 81 32 LEU HG H 1.603 . 1 298 81 32 LEU CA C 54.903 . 1 299 81 32 LEU CB C 42.497 . 1 300 81 32 LEU CD1 C 25.318 . 1 301 81 32 LEU CD2 C 24.208 . 2 302 81 32 LEU CG C 27.201 . 1 303 81 32 LEU N N 120.762 . 1 304 82 33 THR H H 7.728 . 1 305 82 33 THR HA H 4.226 . 1 306 82 33 THR HB H 4.10 . 1 307 82 33 THR HG2 H 1.29 . 1 308 82 33 THR CA C 61.22 . 1 309 82 33 THR CB C 69.494 . 1 310 82 33 THR CG2 C 22.90 . 1 311 82 33 THR N N 113.606 . 1 312 83 34 PHE H H 8.181 . 1 313 83 34 PHE HA H 4.825 . 1 314 83 34 PHE HB2 H 2.863 . 2 315 83 34 PHE HB3 H 3.109 . 2 316 83 34 PHE HD1 H 7.245 . 1 317 83 34 PHE HD2 H 7.245 . 1 318 83 34 PHE HE1 H 7.243 . 1 319 83 34 PHE HE2 H 7.243 . 1 320 83 34 PHE CA C 55.138 . 1 321 83 34 PHE CB C 39.203 . 1 322 83 34 PHE CD1 C 129.605 . 3 323 83 34 PHE CE1 C 130.782 . 3 324 83 34 PHE N N 123.6 . 1 325 84 35 PRO HA H 4.765 . 1 326 84 35 PRO HB2 H 1.979 . 2 327 84 35 PRO HB3 H 2.309 . 2 328 84 35 PRO HD2 H 3.521 . 2 329 84 35 PRO HD3 H 3.729 . 2 330 84 35 PRO HG2 H 1.963 . 2 331 84 35 PRO HG3 H 1.996 . 2 332 84 35 PRO CA C 62.900 . 1 333 84 35 PRO CB C 32.538 . 1 334 84 35 PRO CD C 50.734 . 1 335 84 35 PRO CG C 27.436 . 1 336 85 36 PRO HA H 4.422 . 1 337 85 36 PRO HB2 H 1.868 . 2 338 85 36 PRO HB3 H 2.290 . 2 339 85 36 PRO HD2 H 3.648 . 2 340 85 36 PRO HD3 H 3.782 . 2 341 85 36 PRO HG2 H 2.29 . 1 342 85 36 PRO HG3 H 2.29 . 1 343 85 36 PRO CA C 62.434 . 1 344 85 36 PRO CB C 32.143 . 1 345 85 36 PRO CD C 50.499 . 1 346 85 36 PRO CG C 27.671 . 1 347 86 37 ALA H H 8.370 . 1 348 86 37 ALA HA H 4.429 . 1 349 86 37 ALA HB H 1.309 . 1 350 86 37 ALA CA C 50.263 . 1 351 86 37 ALA CB C 19.972 . 1 352 86 37 ALA N N 125.277 . 1 353 87 38 PRO HA H 4.388 . 1 354 87 38 PRO HB2 H 1.910 . 2 355 87 38 PRO HB3 H 2.254 . 2 356 87 38 PRO HD2 H 3.616 . 2 357 87 38 PRO HD3 H 3.781 . 2 358 87 38 PRO HG2 H 1.980 . 1 359 87 38 PRO HG3 H 1.980 . 1 360 87 38 PRO CA C 63.140 . 1 361 87 38 PRO CB C 32.143 . 1 362 87 38 PRO CD C 50.499 . 1 363 87 38 PRO CG C 27.671 . 1 364 88 39 GLY H H 8.503 . 1 365 88 39 GLY HA2 H 3.895 . 2 366 88 39 GLY HA3 H 3.981 . 2 367 88 39 GLY CA C 74.671 . 1 368 88 39 GLY N N 109.831 . 1 369 89 40 SER H H 8.80 . 1 370 89 40 SER HA H 4.748 . 1 371 89 40 SER HB2 H 3.831 . 2 372 89 40 SER HB3 H 3.892 . 2 373 89 40 SER CA C 56.80 . 1 374 89 40 SER CB C 63.14 . 1 375 89 40 SER N N 116.937 . 1 376 90 41 PRO HA H 4.441 . 1 377 90 41 PRO HB2 H 1.977 . 2 378 90 41 PRO HB3 H 2.224 . 2 379 90 41 PRO HD2 H 3.718 . 2 380 90 41 PRO HD3 H 3.789 . 2 381 90 41 PRO HG2 H 1.984 . 1 382 90 41 PRO HG3 H 1.984 . 1 383 90 41 PRO CA C 63.140 . 1 384 90 41 PRO CB C 32.143 . 1 385 90 41 PRO CD C 50.969 . 1 386 90 41 PRO CG C 27.436 . 1 387 91 42 GLU H H 7.948 . 1 388 91 42 GLU HA H 4.82 . 1 389 91 42 GLU HB2 H 1.861 . 2 390 91 42 GLU HB3 H 2.23 . 2 391 91 42 GLU HG2 H 2.191 . 1 392 91 42 GLU HG3 H 2.191 . 1 393 91 42 GLU CA C 57.727 . 1 394 91 42 GLU CB C 31.437 . 1 395 91 42 GLU CG C 36.849 . 1 396 91 42 GLU N N 125.966 . 1 stop_ save_