data_16015 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of protein complex ; _BMRB_accession_number 16015 _BMRB_flat_file_name bmr16015.str _Entry_type original _Submission_date 2008-10-30 _Accession_date 2008-10-30 _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 Wojciak Jonathan M. . 2 Martinez-Yamout Maria A. . 3 Dyson Helen J. . 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" 805 "13C chemical shifts" 434 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-04-27 update BMRB 'complete entry citation' 2009-02-16 original author 'original release' stop_ _Original_release_date 2015-09-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for recruitment of CBP/p300 coactivators by STAT1 and STAT2 transactivation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19214187 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wojciak Jonathan M. . 2 Martinez-Yamout Maria A. . 3 Dyson Helen J. . 4 Wright Peter E. . stop_ _Journal_abbreviation 'EMBO J.' _Journal_name_full 'The EMBO journal' _Journal_volume 28 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 948 _Page_last 958 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'TAZ2/STAT1 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TAZ2 $TAZ2 STAT1 $STAT1 '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_TAZ2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TAZ2 _Molecular_mass . _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_author_seq_code _Residue_label 1 1 SER 2 2 PRO 3 3 GLN 4 4 GLU 5 5 SER 6 6 ARG 7 7 ARG 8 8 LEU 9 9 SER 10 10 ILE 11 11 GLN 12 12 ARG 13 13 CYS 14 14 ILE 15 15 GLN 16 16 SER 17 17 LEU 18 18 VAL 19 19 HIS 20 20 ALA 21 21 CYS 22 22 GLN 23 23 CYS 24 24 ARG 25 25 ASN 26 26 ALA 27 27 ASN 28 28 CYS 29 29 SER 30 30 LEU 31 31 PRO 32 32 SER 33 33 CYS 34 34 GLN 35 35 LYS 36 36 MET 37 37 LYS 38 38 ARG 39 39 VAL 40 40 VAL 41 41 GLN 42 42 HIS 43 43 THR 44 44 LYS 45 45 GLY 46 46 CYS 47 47 LYS 48 48 ARG 49 49 LYS 50 50 THR 51 51 ASN 52 52 GLY 53 53 GLY 54 54 CYS 55 55 PRO 56 56 VAL 57 57 CYS 58 58 LYS 59 59 GLN 60 60 LEU 61 61 ILE 62 62 ALA 63 63 LEU 64 64 CYS 65 65 CYS 66 66 TYR 67 67 HIS 68 68 ALA 69 69 LYS 70 70 HIS 71 71 CYS 72 72 GLN 73 73 GLU 74 74 ASN 75 75 LYS 76 76 CYS 77 77 PRO 78 78 VAL 79 79 PRO 80 80 PHE 81 81 CYS 82 82 LEU 83 83 ASN 84 84 ILE 85 85 LYS 86 86 HIS 87 87 LYS 88 88 LEU 89 89 ARG 90 90 GLN 91 91 GLN 92 92 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 16318 CBP_TAZ2 100.00 92 100.00 100.00 1.28e-56 PDB 1F81 "Solution Structure Of The Taz2 Domain Of The Transcriptional Adaptor Protein Cbp" 94.57 88 100.00 100.00 2.41e-53 PDB 2KA6 "Nmr Structure Of The Cbp-Taz2STAT1-Tad Complex" 100.00 92 100.00 100.00 1.28e-56 PDB 2KJE "Nmr Structure Of Cbp Taz2 And Adenoviral E1a Complex" 100.00 92 100.00 100.00 1.28e-56 DBJ BAE06125 "CREBBP variant protein [Homo sapiens]" 100.00 2472 100.00 100.00 3.81e-55 DBJ BAI45616 "CREB binding protein [synthetic construct]" 100.00 2442 100.00 100.00 6.01e-55 EMBL CAF96470 "unnamed protein product, partial [Tetraodon nigroviridis]" 100.00 2473 98.91 98.91 1.56e-53 EMBL CAG06082 "unnamed protein product, partial [Tetraodon nigroviridis]" 100.00 982 100.00 100.00 7.66e-55 EMBL CDQ92618 "unnamed protein product, partial [Oncorhynchus mykiss]" 100.00 1379 100.00 100.00 1.26e-54 GB AAB28651 "CREB-binding protein [Mus sp.]" 100.00 2441 97.83 98.91 8.41e-54 GB AAC17736 "CBP [Homo sapiens]" 100.00 923 100.00 100.00 2.07e-55 GB AAC51331 "CREB-binding protein [Homo sapiens]" 100.00 2442 100.00 100.00 6.01e-55 GB AAC51340 "CREB-binding protein [Homo sapiens]" 100.00 932 97.83 97.83 2.59e-53 GB AAC51770 "CREB-binding protein [Homo sapiens]" 100.00 2442 98.91 100.00 1.68e-54 PRF 1923401A "protein CBP" 100.00 2441 97.83 98.91 8.01e-54 REF NP_001020603 "CREB-binding protein [Mus musculus]" 100.00 2441 100.00 100.00 5.90e-55 REF NP_001073315 "CREB-binding protein isoform b [Homo sapiens]" 100.00 2404 100.00 100.00 4.46e-55 REF NP_001088637 "CREB binding protein [Xenopus laevis]" 100.00 2428 98.91 98.91 7.91e-54 REF NP_001157494 "CREB-binding protein [Bos taurus]" 100.00 2435 100.00 100.00 5.56e-55 REF NP_001192159 "CREB binding protein [Xenopus (Silurana) tropicalis]" 100.00 2427 98.91 98.91 7.99e-54 SP P45481 "RecName: Full=CREB-binding protein" 100.00 2441 100.00 100.00 6.31e-55 SP Q6JHU9 "RecName: Full=CREB-binding protein" 100.00 2442 100.00 100.00 5.41e-55 SP Q92793 "RecName: Full=CREB-binding protein" 100.00 2442 100.00 100.00 6.01e-55 TPG DAA15549 "TPA: CREB binding protein [Bos taurus]" 100.00 2435 100.00 100.00 5.56e-55 stop_ save_ save_STAT1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common STAT1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 45 _Mol_residue_sequence ; GSHMSEVHPSRLQTTDNLLP MSPEEFDEVSRIVGSVEFDS MMNTV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 706 GLY 2 707 SER 3 708 HIS 4 709 MET 5 710 SER 6 711 GLU 7 712 VAL 8 713 HIS 9 714 PRO 10 715 SER 11 716 ARG 12 717 LEU 13 718 GLN 14 719 THR 15 720 THR 16 721 ASP 17 722 ASN 18 723 LEU 19 724 LEU 20 725 PRO 21 726 MET 22 727 SER 23 728 PRO 24 729 GLU 25 730 GLU 26 731 PHE 27 732 ASP 28 733 GLU 29 734 VAL 30 735 SER 31 736 ARG 32 737 ILE 33 738 VAL 34 739 GLY 35 740 SER 36 741 VAL 37 742 GLU 38 743 PHE 39 744 ASP 40 745 SER 41 746 MET 42 747 MET 43 748 ASN 44 749 THR 45 750 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 Fri Feb 15 21:22:05 2008 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN N 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 $TAZ2 Mouse 10090 Eukaryota Metazoa Mus musculus $STAT1 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 $TAZ2 'recombinant technology' . Escherichia coli . pET $STAT1 'recombinant technology' . Escherichia coli . pET 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 $TAZ2 1 mM '[U-100% 15N]' $STAT1 . mM 'natural abundance' $ZN . mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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 refinement 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 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 $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' 0.05 . M pH 6.8 . pH pressure 1 . atm temperature 290 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 . 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 '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 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 1 1 SER HA H 4.886 . 1 2 1 1 SER HB2 H 4.045 . 2 3 1 1 SER HB3 H 4.379 . 2 4 1 1 SER CA C 56.513 . 1 5 1 1 SER CB C 62.762 . 1 6 2 2 PRO HA H 4.396 . 1 7 2 2 PRO HB2 H 1.945 . 2 8 2 2 PRO HB3 H 2.440 . 2 9 2 2 PRO HD2 H 3.950 . 2 10 2 2 PRO HD3 H 3.991 . 2 11 2 2 PRO HG2 H 2.096 . 2 12 2 2 PRO HG3 H 2.232 . 2 13 2 2 PRO CA C 65.107 . 1 14 2 2 PRO CB C 31.810 . 1 15 2 2 PRO CD C 50.266 . 1 16 2 2 PRO CG C 27.888 . 1 17 3 3 GLN H H 8.509 . 1 18 3 3 GLN HA H 3.962 . 1 19 3 3 GLN HB2 H 2.021 . 2 20 3 3 GLN HB3 H 2.130 . 2 21 3 3 GLN HE21 H 7.007 . 2 22 3 3 GLN HE22 H 7.788 . 2 23 3 3 GLN HG2 H 2.441 . 1 24 3 3 GLN HG3 H 2.441 . 1 25 3 3 GLN CA C 59.223 . 1 26 3 3 GLN CB C 28.119 . 1 27 3 3 GLN CG C 33.895 . 1 28 3 3 GLN N N 117.064 . 1 29 3 3 GLN NE2 N 112.908 . 1 30 4 4 GLU H H 7.950 . 1 31 4 4 GLU HA H 4.105 . 1 32 4 4 GLU HB2 H 2.071 . 2 33 4 4 GLU HB3 H 2.199 . 2 34 4 4 GLU HG2 H 2.353 . 1 35 4 4 GLU HG3 H 2.353 . 1 36 4 4 GLU CA C 58.778 . 1 37 4 4 GLU CB C 29.734 . 1 38 4 4 GLU CG C 36.407 . 1 39 4 4 GLU N N 121.574 . 1 40 5 5 SER H H 8.511 . 1 41 5 5 SER HA H 4.238 . 1 42 5 5 SER HB2 H 3.969 . 1 43 5 5 SER HB3 H 3.969 . 1 44 5 5 SER CA C 61.377 . 1 45 5 5 SER CB C 62.351 . 1 46 5 5 SER N N 115.674 . 1 47 6 6 ARG H H 8.276 . 1 48 6 6 ARG HA H 4.324 . 1 49 6 6 ARG HB2 H 1.781 . 2 50 6 6 ARG HB3 H 2.021 . 2 51 6 6 ARG HD2 H 3.004 . 2 52 6 6 ARG HD3 H 3.237 . 2 53 6 6 ARG HG2 H 1.625 . 2 54 6 6 ARG HG3 H 1.877 . 2 55 6 6 ARG CA C 58.988 . 1 56 6 6 ARG CB C 30.426 . 1 57 6 6 ARG CD C 43.567 . 1 58 6 6 ARG CG C 27.859 . 1 59 6 6 ARG N N 122.441 . 1 60 7 7 ARG H H 8.015 . 1 61 7 7 ARG HA H 3.955 . 1 62 7 7 ARG HB2 H 1.987 . 1 63 7 7 ARG HB3 H 1.987 . 1 64 7 7 ARG HD2 H 3.212 . 1 65 7 7 ARG HD3 H 3.212 . 1 66 7 7 ARG HG2 H 1.563 . 2 67 7 7 ARG HG3 H 1.830 . 2 68 7 7 ARG CA C 59.724 . 1 69 7 7 ARG CB C 29.965 . 1 70 7 7 ARG CD C 42.884 . 1 71 7 7 ARG CG C 28.061 . 1 72 7 7 ARG N N 119.491 . 1 73 8 8 LEU H H 8.158 . 1 74 8 8 LEU HA H 4.161 . 1 75 8 8 LEU HB2 H 1.664 . 2 76 8 8 LEU HB3 H 1.856 . 2 77 8 8 LEU HD1 H 0.908 . 2 78 8 8 LEU HD2 H 0.966 . 2 79 8 8 LEU HG H 1.747 . 1 80 8 8 LEU CA C 57.686 . 1 81 8 8 LEU CB C 41.312 . 1 82 8 8 LEU CD1 C 23.505 . 2 83 8 8 LEU CD2 C 24.659 . 2 84 8 8 LEU CG C 26.966 . 1 85 8 8 LEU N N 120.359 . 1 86 9 9 SER H H 8.090 . 1 87 9 9 SER HA H 4.292 . 1 88 9 9 SER HB2 H 4.040 . 2 89 9 9 SER HB3 H 4.093 . 2 90 9 9 SER CA C 61.570 . 1 91 9 9 SER CB C 62.493 . 1 92 9 9 SER N N 116.178 . 1 93 10 10 ILE H H 8.396 . 1 94 10 10 ILE HA H 3.505 . 1 95 10 10 ILE HB H 1.873 . 1 96 10 10 ILE HD1 H 0.768 . 1 97 10 10 ILE HG12 H 0.860 . 9 98 10 10 ILE HG13 H 1.743 . 9 99 10 10 ILE HG2 H 0.542 . 2 100 10 10 ILE CA C 65.608 . 1 101 10 10 ILE CB C 37.706 . 1 102 10 10 ILE CD1 C 14.041 . 1 103 10 10 ILE CG1 C 29.061 . 2 104 10 10 ILE CG2 C 17.404 . 2 105 10 10 ILE N N 122.840 . 1 106 11 11 GLN H H 8.142 . 1 107 11 11 GLN HA H 4.032 . 1 108 11 11 GLN HB2 H 2.263 . 1 109 11 11 GLN HB3 H 2.263 . 1 110 11 11 GLN HE21 H 6.886 . 2 111 11 11 GLN HE22 H 7.498 . 2 112 11 11 GLN HG2 H 2.472 . 2 113 11 11 GLN HG3 H 2.561 . 2 114 11 11 GLN CA C 59.060 . 1 115 11 11 GLN CB C 27.888 . 1 116 11 11 GLN CG C 33.887 . 1 117 11 11 GLN N N 119.144 . 1 118 11 11 GLN NE2 N 111.336 . 1 119 12 12 ARG H H 8.330 . 1 120 12 12 ARG HA H 4.179 . 1 121 12 12 ARG HB2 H 2.022 . 1 122 12 12 ARG HB3 H 2.022 . 1 123 12 12 ARG HD2 H 3.251 . 1 124 12 12 ARG HD3 H 3.251 . 1 125 12 12 ARG HG2 H 1.680 . 2 126 12 12 ARG HG3 H 1.917 . 2 127 12 12 ARG CA C 59.494 . 1 128 12 12 ARG CB C 29.734 . 1 129 12 12 ARG CG C 27.863 . 1 130 12 12 ARG N N 120.186 . 1 131 13 13 CYS H H 8.242 . 1 132 13 13 CYS HA H 4.231 . 1 133 13 13 CYS HB2 H 2.850 . 2 134 13 13 CYS HB3 H 3.387 . 2 135 13 13 CYS CA C 63.289 . 1 136 13 13 CYS CB C 26.505 . 1 137 13 13 CYS N N 121.574 . 1 138 14 14 ILE H H 8.493 . 1 139 14 14 ILE HA H 3.787 . 1 140 14 14 ILE HB H 2.262 . 1 141 14 14 ILE HD1 H 0.984 . 1 142 14 14 ILE HG12 H 1.371 . 9 143 14 14 ILE HG13 H 1.850 . 9 144 14 14 ILE HG2 H 1.156 . 2 145 14 14 ILE CA C 64.269 . 1 146 14 14 ILE CB C 36.597 . 1 147 14 14 ILE CD1 C 13.815 . 1 148 14 14 ILE CG1 C 29.032 . 2 149 14 14 ILE CG2 C 18.252 . 2 150 14 14 ILE N N 120.012 . 1 151 15 15 GLN H H 8.468 . 1 152 15 15 GLN HA H 4.107 . 1 153 15 15 GLN HB2 H 2.207 . 2 154 15 15 GLN HB3 H 2.319 . 2 155 15 15 GLN HE21 H 6.929 . 2 156 15 15 GLN HE22 H 7.585 . 2 157 15 15 GLN HG2 H 2.511 . 2 158 15 15 GLN HG3 H 2.638 . 2 159 15 15 GLN CA C 58.969 . 1 160 15 15 GLN CB C 27.843 . 1 161 15 15 GLN CG C 33.914 . 1 162 15 15 GLN N N 119.665 . 1 163 15 15 GLN NE2 N 111.683 . 1 164 16 16 SER H H 8.409 . 1 165 16 16 SER HA H 4.424 . 1 166 16 16 SER HB2 H 3.904 . 2 167 16 16 SER HB3 H 4.132 . 2 168 16 16 SER CA C 61.726 . 1 169 16 16 SER CB C 62.564 . 1 170 16 16 SER N N 117.062 . 1 171 17 17 LEU H H 8.235 . 1 172 17 17 LEU HA H 4.103 . 1 173 17 17 LEU HB2 H 1.626 . 2 174 17 17 LEU HB3 H 2.401 . 2 175 17 17 LEU HD1 H 0.840 . 2 176 17 17 LEU HD2 H 0.910 . 2 177 17 17 LEU HG H 1.481 . 1 178 17 17 LEU CA C 58.340 . 1 179 17 17 LEU CB C 41.961 . 1 180 17 17 LEU CD1 C 23.275 . 2 181 17 17 LEU CD2 C 26.966 . 2 182 17 17 LEU CG C 27.352 . 1 183 17 17 LEU N N 125.564 . 1 184 18 18 VAL H H 8.603 . 1 185 18 18 VAL HA H 3.261 . 1 186 18 18 VAL HB H 2.143 . 1 187 18 18 VAL HG1 H 0.914 . 2 188 18 18 VAL HG2 H 0.967 . 2 189 18 18 VAL CA C 67.097 . 1 190 18 18 VAL CB C 31.589 . 1 191 18 18 VAL CG1 C 20.893 . 2 192 18 18 VAL CG2 C 22.988 . 2 193 18 18 VAL N N 119.665 . 1 194 19 19 HIS H H 8.083 . 1 195 19 19 HIS HA H 4.231 . 1 196 19 19 HIS HB2 H 3.283 . 1 197 19 19 HIS HB3 H 3.283 . 1 198 19 19 HIS HD2 H 7.303 . 2 199 19 19 HIS CA C 59.641 . 1 200 19 19 HIS CB C 26.966 . 1 201 19 19 HIS CD2 C 128.472 . 1 202 19 19 HIS N N 116.094 . 1 203 20 20 ALA H H 8.796 . 1 204 20 20 ALA HA H 4.308 . 1 205 20 20 ALA HB H 1.700 . 1 206 20 20 ALA CA C 55.341 . 1 207 20 20 ALA CB C 20.026 . 1 208 20 20 ALA N N 121.747 . 1 209 21 21 CYS H H 7.909 . 1 210 21 21 CYS HA H 4.294 . 1 211 21 21 CYS HB2 H 2.772 . 2 212 21 21 CYS HB3 H 2.891 . 2 213 21 21 CYS CA C 61.665 . 1 214 21 21 CYS CB C 26.764 . 1 215 21 21 CYS N N 111.875 . 1 216 22 22 GLN H H 7.357 . 1 217 22 22 GLN HA H 4.531 . 1 218 22 22 GLN HB2 H 1.993 . 2 219 22 22 GLN HB3 H 2.148 . 2 220 22 22 GLN HE21 H 7.070 . 2 221 22 22 GLN HE22 H 7.431 . 2 222 22 22 GLN HG2 H 2.261 . 2 223 22 22 GLN HG3 H 2.503 . 2 224 22 22 GLN CA C 54.445 . 1 225 22 22 GLN CB C 30.608 . 1 226 22 22 GLN CG C 33.401 . 1 227 22 22 GLN N N 116.021 . 1 228 22 22 GLN NE2 N 113.072 . 1 229 23 23 CYS H H 7.229 . 1 230 23 23 CYS HA H 3.947 . 1 231 23 23 CYS HB2 H 2.011 . 2 232 23 23 CYS HB3 H 2.588 . 2 233 23 23 CYS CA C 59.996 . 1 234 23 23 CYS CB C 29.000 . 1 235 23 23 CYS N N 124.350 . 1 236 24 24 ARG H H 8.966 . 1 237 24 24 ARG HA H 4.590 . 1 238 24 24 ARG HB2 H 1.627 . 2 239 24 24 ARG HB3 H 2.146 . 2 240 24 24 ARG HD2 H 3.170 . 1 241 24 24 ARG HD3 H 3.170 . 1 242 24 24 ARG HG2 H 1.564 . 2 243 24 24 ARG HG3 H 1.652 . 2 244 24 24 ARG CA C 54.306 . 1 245 24 24 ARG CB C 29.771 . 1 246 24 24 ARG CD C 42.807 . 1 247 24 24 ARG CG C 26.750 . 1 248 24 24 ARG N N 129.729 . 1 249 25 25 ASN H H 7.823 . 1 250 25 25 ASN HA H 4.853 . 1 251 25 25 ASN HB2 H 2.858 . 2 252 25 25 ASN HB3 H 3.002 . 2 253 25 25 ASN HD21 H 7.114 . 2 254 25 25 ASN HD22 H 7.917 . 2 255 25 25 ASN CA C 51.372 . 1 256 25 25 ASN CB C 38.727 . 1 257 25 25 ASN N N 120.186 . 1 258 25 25 ASN ND2 N 111.683 . 1 259 26 26 ALA H H 9.248 . 1 260 26 26 ALA HA H 4.091 . 1 261 26 26 ALA HB H 1.430 . 1 262 26 26 ALA CA C 54.027 . 1 263 26 26 ALA CB C 18.209 . 1 264 26 26 ALA N N 130.423 . 1 265 27 27 ASN H H 8.085 . 1 266 27 27 ASN HA H 4.834 . 1 267 27 27 ASN HB2 H 2.618 . 2 268 27 27 ASN HB3 H 2.958 . 2 269 27 27 ASN HD21 H 6.978 . 2 270 27 27 ASN HD22 H 7.715 . 2 271 27 27 ASN CA C 51.625 . 1 272 27 27 ASN CB C 38.577 . 1 273 27 27 ASN N N 113.766 . 1 274 27 27 ASN ND2 N 113.592 . 1 275 28 28 CYS H H 7.209 . 1 276 28 28 CYS HA H 4.053 . 1 277 28 28 CYS HB2 H 3.012 . 1 278 28 28 CYS HB3 H 3.012 . 1 279 28 28 CYS CA C 61.312 . 1 280 28 28 CYS CB C 29.674 . 1 281 28 28 CYS N N 123.309 . 1 282 29 29 SER H H 8.922 . 1 283 29 29 SER HA H 4.609 . 1 284 29 29 SER HB2 H 3.853 . 2 285 29 29 SER HB3 H 4.123 . 2 286 29 29 SER CA C 57.450 . 1 287 29 29 SER CB C 63.604 . 1 288 29 29 SER N N 124.870 . 1 289 30 30 LEU H H 8.513 . 1 290 30 30 LEU HA H 4.497 . 1 291 30 30 LEU HB2 H 1.398 . 2 292 30 30 LEU HB3 H 1.644 . 2 293 30 30 LEU HD1 H 0.565 . 2 294 30 30 LEU HD2 H 0.650 . 2 295 30 30 LEU HG H 1.649 . 1 296 30 30 LEU CA C 53.980 . 1 297 30 30 LEU CB C 40.643 . 1 298 30 30 LEU CD1 C 24.253 . 2 299 30 30 LEU CD2 C 22.834 . 2 300 30 30 LEU CG C 27.152 . 1 301 30 30 LEU N N 128.341 . 1 302 31 31 PRO HA H 4.329 . 1 303 31 31 PRO HB2 H 1.989 . 2 304 31 31 PRO HB3 H 2.391 . 2 305 31 31 PRO HD2 H 3.773 . 2 306 31 31 PRO HD3 H 4.213 . 2 307 31 31 PRO HG2 H 2.064 . 2 308 31 31 PRO HG3 H 2.184 . 2 309 31 31 PRO CA C 65.026 . 1 310 31 31 PRO CB C 31.580 . 1 311 31 31 PRO CD C 50.727 . 1 312 31 31 PRO CG C 27.626 . 1 313 32 32 SER H H 8.537 . 1 314 32 32 SER HA H 4.287 . 1 315 32 32 SER HB2 H 4.025 . 2 316 32 32 SER HB3 H 4.112 . 2 317 32 32 SER CA C 60.277 . 1 318 32 32 SER CB C 62.277 . 1 319 32 32 SER N N 112.551 . 1 320 33 33 CYS H H 7.523 . 1 321 33 33 CYS HA H 4.170 . 1 322 33 33 CYS HB2 H 2.758 . 2 323 33 33 CYS HB3 H 3.282 . 2 324 33 33 CYS CA C 63.408 . 1 325 33 33 CYS CB C 29.503 . 1 326 33 33 CYS N N 126.085 . 1 327 34 34 GLN H H 8.102 . 1 328 34 34 GLN HA H 3.963 . 1 329 34 34 GLN HE21 H 6.958 . 2 330 34 34 GLN HE22 H 7.581 . 2 331 34 34 GLN N N 115.711 . 1 332 34 34 GLN NE2 N 111.683 . 1 333 35 35 LYS H H 8.093 . 1 334 35 35 LYS HA H 3.994 . 1 335 35 35 LYS HB2 H 1.800 . 2 336 35 35 LYS HB3 H 1.928 . 2 337 35 35 LYS HD2 H 1.642 . 2 338 35 35 LYS HD3 H 1.675 . 2 339 35 35 LYS HE2 H 2.665 . 2 340 35 35 LYS HE3 H 2.880 . 2 341 35 35 LYS HG2 H 1.273 . 2 342 35 35 LYS HG3 H 1.490 . 2 343 35 35 LYS CA C 59.502 . 1 344 35 35 LYS CB C 32.273 . 1 345 35 35 LYS CD C 29.273 . 1 346 35 35 LYS CE C 41.961 . 1 347 35 35 LYS CG C 25.120 . 1 348 35 35 LYS N N 117.930 . 1 349 36 36 MET H H 8.237 . 1 350 36 36 MET HA H 4.488 . 1 351 36 36 MET HB2 H 1.855 . 2 352 36 36 MET HB3 H 2.386 . 2 353 36 36 MET HE H 2.088 . 1 354 36 36 MET HG2 H 2.518 . 2 355 36 36 MET HG3 H 2.895 . 2 356 36 36 MET CA C 56.725 . 1 357 36 36 MET CB C 30.954 . 1 358 36 36 MET CE C 17.411 . 1 359 36 36 MET CG C 33.463 . 1 360 36 36 MET N N 117.062 . 1 361 37 37 LYS H H 9.107 . 1 362 37 37 LYS HA H 3.900 . 1 363 37 37 LYS HB2 H 1.827 . 2 364 37 37 LYS HB3 H 2.086 . 2 365 37 37 LYS HD2 H 1.675 . 1 366 37 37 LYS HD3 H 1.675 . 1 367 37 37 LYS HE2 H 3.180 . 2 368 37 37 LYS HE3 H 3.347 . 2 369 37 37 LYS HG2 H 1.292 . 2 370 37 37 LYS HG3 H 2.035 . 2 371 37 37 LYS CA C 61.097 . 1 372 37 37 LYS CB C 32.947 . 1 373 37 37 LYS CD C 30.195 . 1 374 37 37 LYS CE C 42.811 . 1 375 37 37 LYS CG C 27.620 . 1 376 37 37 LYS N N 120.186 . 1 377 38 38 ARG H H 7.781 . 1 378 38 38 ARG HA H 4.127 . 1 379 38 38 ARG HB2 H 1.931 . 2 380 38 38 ARG HB3 H 2.195 . 2 381 38 38 ARG HD2 H 3.226 . 2 382 38 38 ARG HD3 H 3.256 . 2 383 38 38 ARG CA C 59.263 . 1 384 38 38 ARG CB C 29.965 . 1 385 38 38 ARG CD C 43.345 . 1 386 38 38 ARG N N 118.971 . 1 387 39 39 VAL H H 8.289 . 1 388 39 39 VAL HA H 3.539 . 1 389 39 39 VAL HB H 2.487 . 1 390 39 39 VAL HG1 H 0.967 . 2 391 39 39 VAL HG2 H 1.169 . 2 392 39 39 VAL CA C 66.989 . 1 393 39 39 VAL CB C 31.451 . 1 394 39 39 VAL CG1 C 22.525 . 2 395 39 39 VAL CG2 C 23.432 . 2 396 39 39 VAL N N 123.829 . 1 397 40 40 VAL H H 8.318 . 1 398 40 40 VAL HA H 3.528 . 1 399 40 40 VAL HB H 2.161 . 1 400 40 40 VAL HG1 H 0.939 . 2 401 40 40 VAL HG2 H 0.991 . 2 402 40 40 VAL CA C 67.050 . 1 403 40 40 VAL CB C 31.608 . 1 404 40 40 VAL CG1 C 21.281 . 2 405 40 40 VAL CG2 C 23.189 . 2 406 40 40 VAL N N 119.665 . 1 407 41 41 GLN H H 8.263 . 1 408 41 41 GLN HA H 3.974 . 1 409 41 41 GLN HB2 H 2.125 . 2 410 41 41 GLN HB3 H 2.201 . 2 411 41 41 GLN HE21 H 6.960 . 2 412 41 41 GLN HE22 H 7.555 . 2 413 41 41 GLN HG2 H 2.477 . 1 414 41 41 GLN HG3 H 2.477 . 1 415 41 41 GLN CA C 58.571 . 1 416 41 41 GLN CB C 28.018 . 1 417 41 41 GLN CG C 33.519 . 1 418 41 41 GLN N N 118.450 . 1 419 41 41 GLN NE2 N 112.377 . 1 420 42 42 HIS H H 8.309 . 1 421 42 42 HIS HA H 4.215 . 1 422 42 42 HIS HB2 H 3.263 . 2 423 42 42 HIS HB3 H 3.927 . 2 424 42 42 HIS HD2 H 7.043 . 2 425 42 42 HIS CA C 59.402 . 1 426 42 42 HIS CB C 26.966 . 1 427 42 42 HIS CD2 C 128.801 . 1 428 42 42 HIS N N 118.971 . 1 429 43 43 THR H H 8.056 . 1 430 43 43 THR HA H 3.929 . 1 431 43 43 THR HB H 4.212 . 1 432 43 43 THR HG1 H 5.312 . 1 433 43 43 THR HG2 H 1.629 . 1 434 43 43 THR CA C 66.101 . 1 435 43 43 THR CB C 69.107 . 1 436 43 43 THR CG2 C 21.444 . 1 437 43 43 THR N N 114.320 . 1 438 44 44 LYS H H 7.531 . 1 439 44 44 LYS HA H 4.085 . 1 440 44 44 LYS HB2 H 1.887 . 1 441 44 44 LYS HB3 H 1.887 . 1 442 44 44 LYS HD2 H 1.671 . 1 443 44 44 LYS HD3 H 1.671 . 1 444 44 44 LYS HE2 H 2.884 . 1 445 44 44 LYS HE3 H 2.884 . 1 446 44 44 LYS HG2 H 1.447 . 2 447 44 44 LYS HG3 H 1.642 . 2 448 44 44 LYS CA C 58.682 . 1 449 44 44 LYS CB C 32.024 . 1 450 44 44 LYS CD C 29.042 . 1 451 44 44 LYS CE C 41.397 . 1 452 44 44 LYS CG C 25.318 . 1 453 44 44 LYS N N 120.012 . 1 454 45 45 GLY H H 7.143 . 1 455 45 45 GLY HA2 H 3.625 . 2 456 45 45 GLY HA3 H 4.387 . 2 457 45 45 GLY CA C 44.289 . 1 458 45 45 GLY N N 103.528 . 1 459 46 46 CYS H H 6.988 . 1 460 46 46 CYS HA H 3.955 . 1 461 46 46 CYS HB2 H 2.006 . 2 462 46 46 CYS HB3 H 2.713 . 2 463 46 46 CYS CA C 60.654 . 1 464 46 46 CYS CB C 29.793 . 1 465 46 46 CYS N N 123.656 . 1 466 47 47 LYS H H 9.060 . 1 467 47 47 LYS HA H 4.489 . 1 468 47 47 LYS HB2 H 1.824 . 2 469 47 47 LYS HB3 H 2.051 . 2 470 47 47 LYS HD2 H 1.707 . 1 471 47 47 LYS HD3 H 1.707 . 1 472 47 47 LYS HE2 H 3.039 . 1 473 47 47 LYS HE3 H 3.039 . 1 474 47 47 LYS HG2 H 1.524 . 2 475 47 47 LYS HG3 H 1.615 . 2 476 47 47 LYS CA C 56.127 . 1 477 47 47 LYS CB C 32.393 . 1 478 47 47 LYS CD C 28.455 . 1 479 47 47 LYS CE C 41.766 . 1 480 47 47 LYS CG C 24.862 . 1 481 47 47 LYS N N 127.820 . 1 482 48 48 ARG H H 8.537 . 1 483 48 48 ARG HA H 4.330 . 1 484 48 48 ARG HB2 H 1.841 . 1 485 48 48 ARG HB3 H 1.841 . 1 486 48 48 ARG HD2 H 3.256 . 2 487 48 48 ARG HD3 H 3.296 . 2 488 48 48 ARG HG2 H 1.690 . 2 489 48 48 ARG HG3 H 1.843 . 2 490 48 48 ARG CA C 57.648 . 1 491 48 48 ARG CB C 31.810 . 1 492 48 48 ARG CD C 43.345 . 1 493 48 48 ARG CG C 27.658 . 1 494 48 48 ARG N N 122.615 . 1 495 49 49 LYS H H 8.522 . 1 496 49 49 LYS HA H 4.554 . 1 497 49 49 LYS HB2 H 2.103 . 2 498 49 49 LYS HB3 H 2.242 . 2 499 49 49 LYS HD2 H 1.660 . 2 500 49 49 LYS HD3 H 2.011 . 2 501 49 49 LYS HE2 H 3.149 . 1 502 49 49 LYS HE3 H 3.149 . 1 503 49 49 LYS HG2 H 1.291 . 2 504 49 49 LYS HG3 H 1.574 . 2 505 49 49 LYS CA C 57.417 . 1 506 49 49 LYS CB C 31.543 . 1 507 49 49 LYS CD C 29.519 . 1 508 49 49 LYS CE C 42.339 . 1 509 49 49 LYS CG C 24.885 . 1 510 49 49 LYS N N 117.583 . 1 511 50 50 THR H H 7.992 . 1 512 50 50 THR HA H 4.127 . 1 513 50 50 THR HB H 4.238 . 1 514 50 50 THR HG2 H 1.199 . 1 515 50 50 THR CA C 63.985 . 1 516 50 50 THR CB C 68.157 . 1 517 50 50 THR CG2 C 22.130 . 1 518 50 50 THR N N 113.245 . 1 519 51 51 ASN H H 8.888 . 1 520 51 51 ASN HA H 4.665 . 1 521 51 51 ASN HB2 H 2.862 . 1 522 51 51 ASN HB3 H 2.862 . 1 523 51 51 ASN HD21 H 6.942 . 2 524 51 51 ASN HD22 H 7.687 . 2 525 51 51 ASN CA C 54.159 . 1 526 51 51 ASN CB C 37.857 . 1 527 51 51 ASN ND2 N 112.551 . 1 528 52 52 GLY H H 7.972 . 1 529 52 52 GLY HA2 H 3.893 . 2 530 52 52 GLY HA3 H 4.101 . 2 531 52 52 GLY CA C 45.368 . 1 532 52 52 GLY N N 106.651 . 1 533 53 53 GLY H H 7.765 . 1 534 53 53 GLY HA2 H 3.837 . 2 535 53 53 GLY HA3 H 4.079 . 2 536 53 53 GLY CA C 45.227 . 1 537 53 53 GLY N N 107.519 . 1 538 54 54 CYS H H 8.099 . 1 539 54 54 CYS HA H 4.720 . 1 540 54 54 CYS HB2 H 2.612 . 2 541 54 54 CYS HB3 H 2.897 . 2 542 54 54 CYS CA C 55.572 . 1 543 54 54 CYS CB C 30.216 . 1 544 54 54 CYS N N 122.615 . 1 545 55 55 PRO HA H 4.237 . 1 546 55 55 PRO HB2 H 1.932 . 2 547 55 55 PRO HB3 H 2.358 . 2 548 55 55 PRO HD2 H 4.059 . 1 549 55 55 PRO HD3 H 4.059 . 1 550 55 55 PRO HG2 H 2.068 . 2 551 55 55 PRO HG3 H 2.137 . 2 552 55 55 PRO CA C 64.757 . 1 553 55 55 PRO CB C 32.311 . 1 554 55 55 PRO CD C 51.189 . 1 555 55 55 PRO CG C 27.195 . 1 556 56 56 VAL H H 7.645 . 1 557 56 56 VAL HA H 3.384 . 1 558 56 56 VAL HB H 1.648 . 1 559 56 56 VAL HG1 H 0.683 . 2 560 56 56 VAL HG2 H 0.723 . 2 561 56 56 VAL CA C 66.184 . 1 562 56 56 VAL CB C 32.502 . 1 563 56 56 VAL CG1 C 21.888 . 2 564 56 56 VAL CG2 C 22.305 . 2 565 56 56 VAL N N 121.227 . 1 566 57 57 CYS H H 8.565 . 1 567 57 57 CYS HA H 4.034 . 1 568 57 57 CYS HB2 H 2.669 . 2 569 57 57 CYS HB3 H 2.899 . 2 570 57 57 CYS CA C 65.746 . 1 571 57 57 CYS CB C 29.273 . 1 572 57 57 CYS N N 122.615 . 1 573 58 58 LYS H H 7.956 . 1 574 58 58 LYS HA H 3.874 . 1 575 58 58 LYS HB2 H 1.769 . 1 576 58 58 LYS HB3 H 1.769 . 1 577 58 58 LYS HD2 H 1.660 . 1 578 58 58 LYS HD3 H 1.660 . 1 579 58 58 LYS HE2 H 2.881 . 2 580 58 58 LYS HE3 H 2.930 . 2 581 58 58 LYS HG2 H 1.392 . 2 582 58 58 LYS HG3 H 1.599 . 2 583 58 58 LYS CA C 59.955 . 1 584 58 58 LYS CB C 32.272 . 1 585 58 58 LYS CD C 29.042 . 1 586 58 58 LYS CE C 41.499 . 1 587 58 58 LYS CG C 25.812 . 1 588 58 58 LYS N N 116.889 . 1 589 59 59 GLN H H 7.359 . 1 590 59 59 GLN HA H 3.789 . 1 591 59 59 GLN HB2 H 1.997 . 2 592 59 59 GLN HB3 H 2.063 . 2 593 59 59 GLN HE21 H 6.453 . 2 594 59 59 GLN HE22 H 6.972 . 2 595 59 59 GLN HG2 H 2.596 . 1 596 59 59 GLN HG3 H 2.596 . 1 597 59 59 GLN CA C 60.647 . 1 598 59 59 GLN CB C 27.196 . 1 599 59 59 GLN CG C 33.425 . 1 600 59 59 GLN N N 116.889 . 1 601 59 59 GLN NE2 N 106.482 . 1 602 60 60 LEU H H 8.303 . 1 603 60 60 LEU HA H 4.093 . 1 604 60 60 LEU HB2 H 1.530 . 2 605 60 60 LEU HB3 H 2.059 . 2 606 60 60 LEU HD1 H 0.985 . 2 607 60 60 LEU HD2 H 1.109 . 2 608 60 60 LEU HG H 1.873 . 1 609 60 60 LEU CA C 58.110 . 1 610 60 60 LEU CB C 40.807 . 1 611 60 60 LEU CD1 C 23.736 . 2 612 60 60 LEU CD2 C 25.812 . 2 613 60 60 LEU CG C 27.367 . 1 614 60 60 LEU N N 118.103 . 1 615 61 61 ILE H H 8.804 . 1 616 61 61 ILE HA H 3.801 . 1 617 61 61 ILE HB H 1.862 . 1 618 61 61 ILE HD1 H 0.556 . 1 619 61 61 ILE HG12 H 1.116 . 9 620 61 61 ILE HG13 H 1.405 . 9 621 61 61 ILE HG2 H 0.787 . 2 622 61 61 ILE CA C 63.416 . 1 623 61 61 ILE CB C 36.886 . 1 624 61 61 ILE CD1 C 12.723 . 1 625 61 61 ILE CG1 C 29.727 . 2 626 61 61 ILE CG2 C 18.415 . 2 627 61 61 ILE N N 118.624 . 1 628 62 62 ALA H H 7.796 . 1 629 62 62 ALA HA H 4.058 . 1 630 62 62 ALA HB H 1.607 . 1 631 62 62 ALA CA C 56.030 . 1 632 62 62 ALA CB C 18.068 . 1 633 62 62 ALA N N 124.003 . 1 634 63 63 LEU H H 8.011 . 1 635 63 63 LEU HA H 4.077 . 1 636 63 63 LEU HB2 H 1.623 . 2 637 63 63 LEU HB3 H 2.248 . 2 638 63 63 LEU HD1 H 0.986 . 2 639 63 63 LEU HD2 H 0.963 . 2 640 63 63 LEU HG H 2.018 . 1 641 63 63 LEU CA C 58.110 . 1 642 63 63 LEU CB C 42.116 . 1 643 63 63 LEU CD1 C 24.197 . 2 644 63 63 LEU CD2 C 25.812 . 2 645 63 63 LEU CG C 26.966 . 1 646 63 63 LEU N N 117.583 . 1 647 64 64 CYS H H 8.818 . 1 648 64 64 CYS HA H 4.053 . 1 649 64 64 CYS HB2 H 2.985 . 2 650 64 64 CYS HB3 H 3.269 . 2 651 64 64 CYS CA C 64.800 . 1 652 64 64 CYS CB C 26.504 . 1 653 64 64 CYS N N 118.277 . 1 654 65 65 CYS H H 8.793 . 1 655 65 65 CYS HA H 4.258 . 1 656 65 65 CYS HB2 H 2.844 . 2 657 65 65 CYS HB3 H 3.300 . 2 658 65 65 CYS CA C 63.646 . 1 659 65 65 CYS CB C 26.966 . 1 660 65 65 CYS N N 118.971 . 1 661 66 66 TYR H H 8.369 . 1 662 66 66 TYR HA H 4.034 . 1 663 66 66 TYR HB2 H 3.021 . 2 664 66 66 TYR HB3 H 3.348 . 2 665 66 66 TYR HD1 H 7.042 . 1 666 66 66 TYR HD2 H 7.042 . 1 667 66 66 TYR HE1 H 6.837 . 1 668 66 66 TYR HE2 H 6.837 . 1 669 66 66 TYR CA C 60.886 . 1 670 66 66 TYR CB C 37.808 . 1 671 66 66 TYR CD1 C 131.836 . 2 672 66 66 TYR CE1 C 117.557 . 2 673 66 66 TYR N N 121.574 . 1 674 67 67 HIS H H 8.633 . 1 675 67 67 HIS HA H 4.318 . 1 676 67 67 HIS HB2 H 3.205 . 2 677 67 67 HIS HB3 H 3.626 . 2 678 67 67 HIS HD2 H 7.188 . 2 679 67 67 HIS HE1 H 8.068 . 1 680 67 67 HIS CA C 58.998 . 1 681 67 67 HIS CB C 27.409 . 1 682 67 67 HIS CD2 C 129.164 . 1 683 67 67 HIS CE1 C 139.084 . 1 684 67 67 HIS N N 117.409 . 1 685 68 68 ALA H H 8.725 . 1 686 68 68 ALA HA H 4.019 . 1 687 68 68 ALA HB H 1.658 . 1 688 68 68 ALA CA C 54.690 . 1 689 68 68 ALA CB C 19.964 . 1 690 68 68 ALA N N 122.094 . 1 691 69 69 LYS H H 7.362 . 1 692 69 69 LYS HA H 3.736 . 1 693 69 69 LYS HB2 H 1.443 . 2 694 69 69 LYS HB3 H 1.611 . 2 695 69 69 LYS HD2 H 1.458 . 2 696 69 69 LYS HD3 H 1.599 . 2 697 69 69 LYS HE2 H 2.886 . 1 698 69 69 LYS HE3 H 2.886 . 1 699 69 69 LYS HG2 H 1.085 . 2 700 69 69 LYS HG3 H 1.366 . 2 701 69 69 LYS CA C 58.137 . 1 702 69 69 LYS CB C 32.224 . 1 703 69 69 LYS CD C 28.953 . 1 704 69 69 LYS CE C 41.271 . 1 705 69 69 LYS CG C 24.647 . 1 706 69 69 LYS N N 114.807 . 1 707 70 70 HIS H H 7.011 . 1 708 70 70 HIS HA H 4.697 . 1 709 70 70 HIS HB2 H 2.789 . 2 710 70 70 HIS HB3 H 3.355 . 2 711 70 70 HIS HD2 H 6.893 . 2 712 70 70 HIS CA C 54.835 . 1 713 70 70 HIS CB C 30.477 . 1 714 70 70 HIS CD2 C 121.551 . 1 715 70 70 HIS N N 112.898 . 1 716 71 71 CYS H H 7.012 . 1 717 71 71 CYS HA H 4.032 . 1 718 71 71 CYS HB2 H 1.816 . 2 719 71 71 CYS HB3 H 2.450 . 2 720 71 71 CYS CA C 59.948 . 1 721 71 71 CYS CB C 29.752 . 1 722 71 71 CYS N N 123.829 . 1 723 72 72 GLN H H 9.181 . 1 724 72 72 GLN HA H 4.674 . 1 725 72 72 GLN HB2 H 1.817 . 2 726 72 72 GLN HB3 H 2.454 . 2 727 72 72 GLN HE21 H 6.839 . 2 728 72 72 GLN HE22 H 7.388 . 2 729 72 72 GLN HG2 H 2.325 . 2 730 72 72 GLN HG3 H 2.384 . 2 731 72 72 GLN CA C 54.224 . 1 732 72 72 GLN CB C 29.049 . 1 733 72 72 GLN CG C 33.243 . 1 734 72 72 GLN N N 128.341 . 1 735 72 72 GLN NE2 N 112.725 . 1 736 73 73 GLU H H 8.396 . 1 737 73 73 GLU HA H 4.389 . 1 738 73 73 GLU HB2 H 1.942 . 2 739 73 73 GLU HB3 H 2.027 . 2 740 73 73 GLU HG2 H 2.329 . 2 741 73 73 GLU HG3 H 2.400 . 2 742 73 73 GLU CA C 55.341 . 1 743 73 73 GLU CB C 30.239 . 1 744 73 73 GLU CG C 35.621 . 1 745 73 73 GLU N N 123.309 . 1 746 74 74 ASN H H 8.921 . 1 747 74 74 ASN HA H 4.538 . 1 748 74 74 ASN HB2 H 2.830 . 1 749 74 74 ASN HB3 H 2.830 . 1 750 74 74 ASN HD21 H 7.044 . 2 751 74 74 ASN HD22 H 7.686 . 2 752 74 74 ASN CA C 54.666 . 1 753 74 74 ASN CB C 38.301 . 1 754 74 74 ASN N N 124.870 . 1 755 74 74 ASN ND2 N 113.072 . 1 756 75 75 LYS H H 8.847 . 1 757 75 75 LYS HA H 4.442 . 1 758 75 75 LYS HB2 H 1.647 . 2 759 75 75 LYS HB3 H 1.907 . 2 760 75 75 LYS HD2 H 1.681 . 1 761 75 75 LYS HD3 H 1.681 . 1 762 75 75 LYS HE2 H 2.981 . 1 763 75 75 LYS HE3 H 2.981 . 1 764 75 75 LYS HG2 H 1.316 . 2 765 75 75 LYS HG3 H 1.379 . 2 766 75 75 LYS CA C 54.327 . 1 767 75 75 LYS CB C 30.837 . 1 768 75 75 LYS CD C 28.811 . 1 769 75 75 LYS CE C 41.660 . 1 770 75 75 LYS CG C 24.566 . 1 771 75 75 LYS N N 121.574 . 1 772 76 76 CYS H H 7.191 . 1 773 76 76 CYS HA H 4.389 . 1 774 76 76 CYS HB2 H 2.850 . 2 775 76 76 CYS HB3 H 2.960 . 2 776 76 76 CYS CA C 57.270 . 1 777 76 76 CYS CB C 30.613 . 1 778 76 76 CYS N N 124.350 . 1 779 77 77 PRO HA H 4.673 . 1 780 77 77 PRO HB2 H 2.087 . 1 781 77 77 PRO HB3 H 2.087 . 1 782 77 77 PRO HD2 H 3.824 . 2 783 77 77 PRO HD3 H 4.73 . 2 784 77 77 PRO HG2 H 1.712 . 2 785 77 77 PRO HG3 H 2.016 . 2 786 77 77 PRO CA C 62.878 . 1 787 77 77 PRO CB C 31.950 . 1 788 77 77 PRO CD C 51.152 . 1 789 77 77 PRO CG C 26.261 . 1 790 78 78 VAL H H 8.974 . 1 791 78 78 VAL HA H 4.187 . 1 792 78 78 VAL HB H 2.159 . 1 793 78 78 VAL HG1 H 0.419 . 2 794 78 78 VAL HG2 H 0.795 . 2 795 78 78 VAL CA C 61.637 . 1 796 78 78 VAL CB C 31.654 . 1 797 78 78 VAL CG1 C 23.167 . 2 798 78 78 VAL CG2 C 20.586 . 2 799 78 78 VAL N N 128.688 . 1 800 79 79 PRO HA H 3.938 . 1 801 79 79 PRO HB2 H 1.640 . 2 802 79 79 PRO HB3 H 1.730 . 2 803 79 79 PRO HD2 H 3.488 . 2 804 79 79 PRO HD3 H 4.116 . 2 805 79 79 PRO HG2 H 1.866 . 2 806 79 79 PRO HG3 H 1.937 . 2 807 79 79 PRO CA C 63.962 . 1 808 79 79 PRO CB C 30.887 . 1 809 79 79 PRO CD C 51.285 . 1 810 79 79 PRO CG C 27.764 . 1 811 80 80 PHE HA H 4.350 . 1 812 80 80 PHE HB2 H 3.317 . 2 813 80 80 PHE HB3 H 3.467 . 2 814 80 80 PHE HD1 H 7.282 . 1 815 80 80 PHE HD2 H 7.282 . 1 816 80 80 PHE HE1 H 7.284 . 1 817 80 80 PHE HE2 H 7.284 . 1 818 80 80 PHE CA C 59.032 . 1 819 80 80 PHE CB C 37.686 . 1 820 80 80 PHE CD1 C 131.630 . 2 821 80 80 PHE CE1 C 130.262 . 2 822 81 81 CYS H H 7.686 . 1 823 81 81 CYS HA H 4.001 . 1 824 81 81 CYS HB2 H 2.848 . 2 825 81 81 CYS HB3 H 3.166 . 2 826 81 81 CYS CA C 64.779 . 1 827 81 81 CYS CB C 29.524 . 1 828 81 81 CYS N N 124.176 . 1 829 82 82 LEU H H 8.267 . 1 830 82 82 LEU HA H 4.010 . 1 831 82 82 LEU HB2 H 1.569 . 2 832 82 82 LEU HB3 H 1.788 . 2 833 82 82 LEU HD1 H 0.961 . 2 834 82 82 LEU HD2 H 0.982 . 2 835 82 82 LEU HG H 1.715 . 1 836 82 82 LEU CA C 58.340 . 1 837 82 82 LEU CB C 40.862 . 1 838 82 82 LEU CD1 C 24.185 . 2 839 82 82 LEU CD2 C 24.583 . 2 840 82 82 LEU CG C 26.992 . 1 841 82 82 LEU N N 114.980 . 1 842 83 83 ASN H H 7.917 . 1 843 83 83 ASN HA H 4.490 . 1 844 83 83 ASN HB2 H 2.957 . 1 845 83 83 ASN HB3 H 2.957 . 1 846 83 83 ASN HD21 H 7.123 . 2 847 83 83 ASN HD22 H 7.787 . 2 848 83 83 ASN CA C 56.061 . 1 849 83 83 ASN CB C 38.494 . 1 850 83 83 ASN N N 116.542 . 1 851 83 83 ASN ND2 N 112.377 . 1 852 84 84 ILE H H 8.788 . 1 853 84 84 ILE HA H 3.734 . 1 854 84 84 ILE HB H 2.000 . 1 855 84 84 ILE HD1 H 0.860 . 1 856 84 84 ILE HG12 H 1.022 . 9 857 84 84 ILE HG13 H 1.899 . 9 858 84 84 ILE HG2 H 0.965 . 2 859 84 84 ILE CA C 65.142 . 1 860 84 84 ILE CB C 38.039 . 1 861 84 84 ILE CD1 C 15.027 . 1 862 84 84 ILE CG1 C 29.042 . 2 863 84 84 ILE CG2 C 18.851 . 2 864 84 84 ILE N N 121.747 . 1 865 85 85 LYS H H 8.954 . 1 866 85 85 LYS HA H 3.839 . 1 867 85 85 LYS HB2 H 1.758 . 2 868 85 85 LYS HB3 H 2.005 . 2 869 85 85 LYS HD2 H 1.676 . 2 870 85 85 LYS HD3 H 1.785 . 2 871 85 85 LYS HE2 H 3.167 . 2 872 85 85 LYS HE3 H 3.410 . 2 873 85 85 LYS HG2 H 1.392 . 2 874 85 85 LYS HG3 H 2.062 . 2 875 85 85 LYS CA C 60.936 . 1 876 85 85 LYS CB C 32.041 . 1 877 85 85 LYS CD C 30.408 . 1 878 85 85 LYS CE C 41.944 . 1 879 85 85 LYS CG C 26.504 . 1 880 85 85 LYS N N 119.665 . 1 881 86 86 HIS H H 8.043 . 1 882 86 86 HIS HA H 4.411 . 1 883 86 86 HIS HB2 H 3.304 . 1 884 86 86 HIS HB3 H 3.304 . 1 885 86 86 HIS HD2 H 7.069 . 2 886 86 86 HIS CA C 58.746 . 1 887 86 86 HIS CB C 30.067 . 1 888 86 86 HIS CD2 C 118.521 . 1 889 86 86 HIS N N 116.542 . 1 890 87 87 LYS H H 7.822 . 1 891 87 87 LYS HA H 4.158 . 1 892 87 87 LYS HE2 H 3.013 . 2 893 87 87 LYS HE3 H 3.287 . 2 894 87 87 LYS CA C 57.879 . 1 895 87 87 LYS N N 119.318 . 1 896 88 88 LEU H H 8.405 . 1 897 88 88 LEU HA H 4.194 . 1 898 88 88 LEU HB2 H 1.546 . 2 899 88 88 LEU HB3 H 1.855 . 2 900 88 88 LEU HD1 H 0.847 . 2 901 88 88 LEU HD2 H 0.840 . 2 902 88 88 LEU HG H 1.888 . 1 903 88 88 LEU CA C 56.289 . 1 904 88 88 LEU CB C 41.692 . 1 905 88 88 LEU CD1 C 22.457 . 2 906 88 88 LEU CD2 C 25.812 . 2 907 88 88 LEU CG C 26.432 . 1 908 88 88 LEU N N 119.144 . 1 909 89 89 ARG H H 7.826 . 1 910 89 89 ARG HA H 4.271 . 1 911 89 89 ARG HB2 H 1.890 . 2 912 89 89 ARG HB3 H 1.941 . 2 913 89 89 ARG HD2 H 3.203 . 1 914 89 89 ARG HD3 H 3.203 . 1 915 89 89 ARG HG2 H 1.692 . 2 916 89 89 ARG HG3 H 1.753 . 2 917 89 89 ARG CA C 56.666 . 1 918 89 89 ARG CB C 29.965 . 1 919 89 89 ARG CD C 43.229 . 1 920 89 89 ARG CG C 27.189 . 1 921 89 89 ARG N N 118.450 . 1 922 90 90 GLN H H 7.935 . 1 923 90 90 GLN HA H 4.270 . 1 924 90 90 GLN HB2 H 2.063 . 2 925 90 90 GLN HB3 H 2.160 . 2 926 90 90 GLN HE21 H 6.899 . 2 927 90 90 GLN HE22 H 7.447 . 2 928 90 90 GLN HG2 H 2.392 . 1 929 90 90 GLN HG3 H 2.392 . 1 930 90 90 GLN CA C 55.840 . 1 931 90 90 GLN CB C 28.989 . 1 932 90 90 GLN CG C 33.656 . 1 933 90 90 GLN N N 119.318 . 1 934 90 90 GLN NE2 N 112.377 . 1 935 91 91 GLN H H 8.141 . 1 936 91 91 GLN HA H 4.352 . 1 937 91 91 GLN HB2 H 2.033 . 2 938 91 91 GLN HB3 H 2.170 . 2 939 91 91 GLN HE21 H 6.888 . 2 940 91 91 GLN HE22 H 7.642 . 2 941 91 91 GLN HG2 H 2.412 . 1 942 91 91 GLN HG3 H 2.412 . 1 943 91 91 GLN CA C 55.581 . 1 944 91 91 GLN CB C 29.284 . 1 945 91 91 GLN CG C 33.673 . 1 946 91 91 GLN N N 120.706 . 1 947 91 91 GLN NE2 N 112.551 . 1 948 92 92 GLN H H 8.042 . 1 949 92 92 GLN HA H 4.168 . 1 950 92 92 GLN HB2 H 1.954 . 2 951 92 92 GLN HE21 H 6.855 . 2 952 92 92 GLN HE22 H 7.565 . 2 953 92 92 GLN HG2 H 2.335 . 1 954 92 92 GLN HG3 H 2.335 . 1 955 92 92 GLN CA C 57.187 . 1 956 92 92 GLN CB C 30.195 . 1 957 92 92 GLN CG C 34.162 . 1 958 92 92 GLN N N 126.953 . 1 959 92 92 GLN NE2 N 112.551 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _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 STAT1 _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 1 706 1 GLY HA2 H 4.512 . 1 2 706 1 GLY HA3 H 4.512 . 1 3 706 1 GLY CA C 57.879 . 1 4 707 2 SER HB2 H 3.844 . 1 5 707 2 SER HB3 H 3.844 . 1 6 707 2 SER CB C 63.646 . 1 7 708 3 HIS HA H 4.663 . 1 8 708 3 HIS HB2 H 3.127 . 2 9 708 3 HIS HB3 H 3.172 . 2 10 708 3 HIS CA C 56.033 . 1 11 708 3 HIS CB C 30.146 . 1 12 709 4 MET HE H 2.086 . 1 13 709 4 MET CE C 16.584 . 1 14 710 5 SER H H 8.437 . 1 15 710 5 SER HA H 4.429 . 1 16 710 5 SER HB2 H 3.883 . 1 17 710 5 SER HB3 H 3.883 . 1 18 710 5 SER CA C 58.340 . 1 19 710 5 SER CB C 63.416 . 1 20 710 5 SER N N 117.160 . 1 21 711 6 GLU H H 8.458 . 1 22 711 6 GLU HA H 4.311 . 1 23 711 6 GLU HB2 H 1.937 . 2 24 711 6 GLU HB3 H 2.025 . 2 25 711 6 GLU HG2 H 2.201 . 2 26 711 6 GLU HG3 H 2.250 . 2 27 711 6 GLU CA C 56.033 . 1 28 711 6 GLU CB C 30.223 . 1 29 711 6 GLU CG C 36.151 . 1 30 711 6 GLU N N 123.053 . 1 31 712 7 VAL H H 8.150 . 1 32 712 7 VAL HA H 4.050 . 1 33 712 7 VAL HB H 1.988 . 1 34 712 7 VAL HG1 H 0.895 . 2 35 712 7 VAL HG2 H 0.849 . 2 36 712 7 VAL CA C 61.801 . 1 37 712 7 VAL CB C 32.041 . 1 38 712 7 VAL CG1 C 20.436 . 2 39 712 7 VAL CG2 C 20.912 . 2 40 712 7 VAL N N 121.173 . 1 41 713 8 HIS H H 8.495 . 1 42 713 8 HIS HA H 4.914 . 1 43 713 8 HIS HB2 H 3.094 . 1 44 713 8 HIS HB3 H 3.094 . 1 45 713 8 HIS HD2 H 7.166 . 2 46 713 8 HIS CA C 53.945 . 1 47 713 8 HIS CB C 30.218 . 1 48 713 8 HIS CD2 C 119.192 . 1 49 713 8 HIS N N 125.310 . 1 50 714 9 PRO HA H 4.430 . 1 51 714 9 PRO HB2 H 1.940 . 2 52 714 9 PRO HB3 H 2.330 . 2 53 714 9 PRO HD2 H 3.361 . 2 54 714 9 PRO HD3 H 3.751 . 2 55 714 9 PRO HG2 H 1.990 . 1 56 714 9 PRO HG3 H 1.990 . 1 57 714 9 PRO CA C 63.409 . 1 58 714 9 PRO CB C 32.018 . 1 59 714 9 PRO CD C 50.497 . 1 60 714 9 PRO CG C 27.231 . 1 61 715 10 SER H H 8.889 . 1 62 715 10 SER HA H 4.437 . 1 63 715 10 SER HB2 H 3.951 . 1 64 715 10 SER HB3 H 3.951 . 1 65 715 10 SER CA C 58.571 . 1 66 715 10 SER CB C 63.213 . 1 67 715 10 SER N N 116.533 . 1 68 716 11 ARG H H 8.442 . 1 69 716 11 ARG HA H 4.388 . 1 70 716 11 ARG HB2 H 1.816 . 2 71 716 11 ARG HB3 H 1.933 . 2 72 716 11 ARG HD2 H 3.211 . 1 73 716 11 ARG HD3 H 3.211 . 1 74 716 11 ARG HG2 H 1.655 . 1 75 716 11 ARG HG3 H 1.655 . 1 76 716 11 ARG CA C 55.882 . 1 77 716 11 ARG CB C 30.395 . 1 78 716 11 ARG CD C 42.955 . 1 79 716 11 ARG CG C 26.988 . 1 80 716 11 ARG N N 122.803 . 1 81 717 12 LEU H H 8.133 . 1 82 717 12 LEU HA H 4.356 . 1 83 717 12 LEU HB2 H 1.596 . 2 84 717 12 LEU HB3 H 1.668 . 2 85 717 12 LEU HD1 H 0.880 . 2 86 717 12 LEU HD2 H 0.934 . 2 87 717 12 LEU HG H 1.629 . 1 88 717 12 LEU CA C 54.880 . 1 89 717 12 LEU CB C 42.081 . 1 90 717 12 LEU CD1 C 23.291 . 2 91 717 12 LEU CD2 C 24.696 . 2 92 717 12 LEU CG C 26.966 . 1 93 717 12 LEU N N 122.552 . 1 94 718 13 GLN H H 8.440 . 1 95 718 13 GLN HA H 4.454 . 1 96 718 13 GLN HB2 H 2.028 . 2 97 718 13 GLN HB3 H 2.163 . 2 98 718 13 GLN HE21 H 6.915 . 2 99 718 13 GLN HE22 H 7.597 . 2 100 718 13 GLN HG2 H 2.397 . 1 101 718 13 GLN HG3 H 2.397 . 1 102 718 13 GLN CA C 55.341 . 1 103 718 13 GLN CB C 29.285 . 1 104 718 13 GLN CG C 33.634 . 1 105 718 13 GLN N N 121.298 . 1 106 718 13 GLN NE2 N 112.647 . 1 107 719 14 THR H H 8.257 . 1 108 719 14 THR HA H 4.438 . 1 109 719 14 THR HB H 4.315 . 1 110 719 14 THR HG2 H 1.226 . 1 111 719 14 THR CA C 61.339 . 1 112 719 14 THR CB C 69.456 . 1 113 719 14 THR CG2 C 21.429 . 1 114 719 14 THR N N 115.154 . 1 115 720 15 THR H H 8.240 . 1 116 720 15 THR HA H 4.275 . 1 117 720 15 THR HB H 4.252 . 1 118 720 15 THR HG2 H 1.194 . 1 119 720 15 THR CA C 61.967 . 1 120 720 15 THR CB C 69.183 . 1 121 720 15 THR CG2 C 21.429 . 1 122 720 15 THR N N 115.029 . 1 123 721 16 ASP H H 8.293 . 1 124 721 16 ASP HA H 4.494 . 1 125 721 16 ASP HB2 H 2.588 . 2 126 721 16 ASP HB3 H 2.657 . 2 127 721 16 ASP CA C 54.880 . 1 128 721 16 ASP CB C 40.891 . 1 129 721 16 ASP N N 122.427 . 1 130 722 17 ASN H H 8.272 . 1 131 722 17 ASN HA H 4.577 . 1 132 722 17 ASN HB2 H 2.818 . 1 133 722 17 ASN HB3 H 2.818 . 1 134 722 17 ASN HD21 H 6.934 . 2 135 722 17 ASN HD22 H 7.627 . 2 136 722 17 ASN CA C 53.330 . 1 137 722 17 ASN CB C 38.332 . 1 138 722 17 ASN N N 118.916 . 1 139 722 17 ASN ND2 N 112.772 . 1 140 723 18 LEU H H 8.204 . 1 141 723 18 LEU HA H 4.191 . 1 142 723 18 LEU HB2 H 1.511 . 2 143 723 18 LEU HB3 H 1.563 . 2 144 723 18 LEU HD1 H 0.759 . 2 145 723 18 LEU HD2 H 0.804 . 2 146 723 18 LEU HG H 1.585 . 1 147 723 18 LEU CA C 54.200 . 1 148 723 18 LEU CB C 43.545 . 1 149 723 18 LEU CD1 C 23.957 . 2 150 723 18 LEU CD2 C 25.340 . 2 151 723 18 LEU CG C 26.677 . 1 152 723 18 LEU N N 121.173 . 1 153 724 19 LEU H H 7.416 . 1 154 724 19 LEU HA H 4.273 . 1 155 724 19 LEU HB2 H 1.439 . 2 156 724 19 LEU HB3 H 1.672 . 2 157 724 19 LEU HD1 H 0.610 . 2 158 724 19 LEU HD2 H 0.863 . 2 159 724 19 LEU HG H 1.624 . 1 160 724 19 LEU CA C 52.415 . 1 161 724 19 LEU CB C 40.471 . 1 162 724 19 LEU CD1 C 23.174 . 2 163 724 19 LEU CD2 C 25.345 . 2 164 724 19 LEU CG C 26.090 . 1 165 724 19 LEU N N 117.286 . 1 166 725 20 PRO HA H 4.271 . 1 167 725 20 PRO HB2 H 2.012 . 2 168 725 20 PRO HB3 H 2.204 . 2 169 725 20 PRO HD2 H 4.063 . 2 170 725 20 PRO HD3 H 4.231 . 2 171 725 20 PRO HG2 H 1.789 . 2 172 725 20 PRO HG3 H 2.097 . 2 173 725 20 PRO CA C 63.877 . 1 174 725 20 PRO CB C 32.716 . 1 175 725 20 PRO CD C 50.699 . 1 176 725 20 PRO CG C 27.202 . 1 177 726 21 MET H H 8.932 . 1 178 726 21 MET HA H 4.841 . 1 179 726 21 MET HB2 H 1.969 . 2 180 726 21 MET HB3 H 2.345 . 2 181 726 21 MET HE H 2.028 . 1 182 726 21 MET HG2 H 2.315 . 2 183 726 21 MET HG3 H 2.571 . 2 184 726 21 MET CA C 54.199 . 1 185 726 21 MET CB C 36.939 . 1 186 726 21 MET CE C 18.436 . 1 187 726 21 MET CG C 32.872 . 1 188 726 21 MET N N 116.784 . 1 189 727 22 SER H H 8.956 . 1 190 727 22 SER HA H 4.771 . 1 191 727 22 SER HB2 H 3.964 . 2 192 727 22 SER HB3 H 4.439 . 2 193 727 22 SER CA C 56.255 . 1 194 727 22 SER CB C 62.528 . 1 195 727 22 SER N N 119.167 . 1 196 728 23 PRO HA H 4.312 . 1 197 728 23 PRO HB2 H 1.971 . 2 198 728 23 PRO HB3 H 2.476 . 2 199 728 23 PRO HD2 H 3.924 . 2 200 728 23 PRO HD3 H 3.960 . 2 201 728 23 PRO HG2 H 2.011 . 2 202 728 23 PRO HG3 H 2.247 . 2 203 728 23 PRO CA C 65.953 . 1 204 728 23 PRO CB C 31.810 . 1 205 728 23 PRO CD C 50.048 . 1 206 728 23 PRO CG C 28.119 . 1 207 729 24 GLU H H 8.877 . 1 208 729 24 GLU HA H 4.163 . 1 209 729 24 GLU HB2 H 1.915 . 2 210 729 24 GLU HB3 H 2.074 . 2 211 729 24 GLU HG2 H 2.332 . 2 212 729 24 GLU HG3 H 2.458 . 2 213 729 24 GLU CA C 59.748 . 1 214 729 24 GLU CB C 28.819 . 1 215 729 24 GLU CG C 36.874 . 1 216 729 24 GLU N N 116.283 . 1 217 730 25 GLU H H 7.789 . 1 218 730 25 GLU HA H 3.787 . 1 219 730 25 GLU HB2 H 1.844 . 2 220 730 25 GLU HB3 H 2.493 . 2 221 730 25 GLU HG2 H 2.212 . 2 222 730 25 GLU HG3 H 2.320 . 2 223 730 25 GLU CA C 59.266 . 1 224 730 25 GLU CB C 29.501 . 1 225 730 25 GLU CG C 37.126 . 1 226 730 25 GLU N N 121.298 . 1 227 731 26 PHE H H 8.730 . 1 228 731 26 PHE HA H 4.364 . 1 229 731 26 PHE HB2 H 3.090 . 2 230 731 26 PHE HB3 H 3.207 . 2 231 731 26 PHE HD1 H 7.274 . 1 232 731 26 PHE HD2 H 7.274 . 1 233 731 26 PHE HE1 H 7.191 . 1 234 731 26 PHE HE2 H 7.191 . 1 235 731 26 PHE CA C 59.724 . 1 236 731 26 PHE CB C 38.230 . 1 237 731 26 PHE CD1 C 130.686 . 2 238 731 26 PHE CE1 C 128.933 . 2 239 731 26 PHE N N 119.543 . 1 240 732 27 ASP H H 8.587 . 1 241 732 27 ASP HA H 4.097 . 1 242 732 27 ASP HB2 H 2.640 . 2 243 732 27 ASP HB3 H 2.774 . 2 244 732 27 ASP CA C 57.256 . 1 245 732 27 ASP CB C 40.421 . 1 246 732 27 ASP N N 121.549 . 1 247 733 28 GLU H H 7.383 . 1 248 733 28 GLU HA H 4.155 . 1 249 733 28 GLU HB2 H 2.126 . 1 250 733 28 GLU HB3 H 2.126 . 1 251 733 28 GLU HG2 H 2.177 . 1 252 733 28 GLU HG3 H 2.177 . 1 253 733 28 GLU CA C 58.749 . 1 254 733 28 GLU CB C 28.933 . 1 255 733 28 GLU CG C 34.908 . 1 256 733 28 GLU N N 119.793 . 1 257 734 29 VAL H H 8.246 . 1 258 734 29 VAL HA H 3.595 . 1 259 734 29 VAL HB H 2.022 . 1 260 734 29 VAL HG1 H 0.888 . 2 261 734 29 VAL HG2 H 0.909 . 2 262 734 29 VAL CA C 66.219 . 1 263 734 29 VAL CB C 31.362 . 1 264 734 29 VAL CG1 C 22.579 . 2 265 734 29 VAL CG2 C 24.361 . 2 266 734 29 VAL N N 118.540 . 1 267 735 30 SER H H 8.384 . 1 268 735 30 SER HA H 3.912 . 1 269 735 30 SER HB2 H 3.445 . 2 270 735 30 SER HB3 H 3.595 . 2 271 735 30 SER CA C 61.703 . 1 272 735 30 SER CB C 62.059 . 1 273 735 30 SER N N 115.154 . 1 274 736 31 ARG H H 7.683 . 1 275 736 31 ARG HA H 4.027 . 1 276 736 31 ARG HB2 H 1.941 . 1 277 736 31 ARG HB3 H 1.941 . 1 278 736 31 ARG HD2 H 3.194 . 1 279 736 31 ARG HD3 H 3.194 . 1 280 736 31 ARG HE H 7.476 . 1 281 736 31 ARG HG2 H 1.570 . 2 282 736 31 ARG HG3 H 1.743 . 2 283 736 31 ARG CA C 58.571 . 1 284 736 31 ARG CB C 30.068 . 1 285 736 31 ARG CD C 42.954 . 1 286 736 31 ARG CG C 27.943 . 1 287 736 31 ARG N N 121.549 . 1 288 736 31 ARG NE N 84.310 . 1 289 737 32 ILE H H 7.703 . 1 290 737 32 ILE HA H 3.859 . 1 291 737 32 ILE HB H 2.016 . 1 292 737 32 ILE HD1 H 0.858 . 1 293 737 32 ILE HG12 H 1.267 . 9 294 737 32 ILE HG13 H 1.777 . 9 295 737 32 ILE HG2 H 0.879 . 2 296 737 32 ILE CA C 63.445 . 1 297 737 32 ILE CB C 38.332 . 1 298 737 32 ILE CD1 C 13.107 . 1 299 737 32 ILE CG1 C 28.412 . 2 300 737 32 ILE CG2 C 17.332 . 2 301 737 32 ILE N N 119.167 . 1 302 738 33 VAL H H 8.293 . 1 303 738 33 VAL HA H 3.901 . 1 304 738 33 VAL HB H 2.295 . 1 305 738 33 VAL HG1 H 1.156 . 2 306 738 33 VAL HG2 H 1.059 . 2 307 738 33 VAL CA C 63.805 . 1 308 738 33 VAL CB C 32.408 . 1 309 738 33 VAL CG1 C 21.247 . 2 310 738 33 VAL CG2 C 21.690 . 2 311 738 33 VAL N N 116.157 . 1 312 739 34 GLY H H 7.868 . 1 313 739 34 GLY HA2 H 3.813 . 2 314 739 34 GLY HA3 H 4.120 . 2 315 739 34 GLY CA C 44.831 . 1 316 739 34 GLY N N 108.258 . 1 317 740 35 SER H H 8.366 . 1 318 740 35 SER HA H 4.389 . 1 319 740 35 SER HB2 H 3.845 . 1 320 740 35 SER HB3 H 3.845 . 1 321 740 35 SER CA C 58.261 . 1 322 740 35 SER CB C 62.663 . 1 323 740 35 SER N N 116.408 . 1 324 741 36 VAL H H 7.897 . 1 325 741 36 VAL HA H 4.054 . 1 326 741 36 VAL HB H 1.795 . 1 327 741 36 VAL HG1 H 0.768 . 2 328 741 36 VAL HG2 H 0.764 . 2 329 741 36 VAL CA C 61.737 . 1 330 741 36 VAL CB C 33.084 . 1 331 741 36 VAL CG1 C 20.737 . 2 332 741 36 VAL CG2 C 21.198 . 2 333 741 36 VAL N N 122.928 . 1 334 742 37 GLU H H 8.468 . 1 335 742 37 GLU HA H 4.306 . 1 336 742 37 GLU HB2 H 1.900 . 2 337 742 37 GLU HB3 H 2.022 . 2 338 742 37 GLU HG2 H 2.201 . 2 339 742 37 GLU HG3 H 2.249 . 2 340 742 37 GLU CA C 55.803 . 1 341 742 37 GLU CB C 29.029 . 1 342 742 37 GLU CG C 36.193 . 1 343 742 37 GLU N N 124.057 . 1 344 743 38 PHE H H 8.222 . 1 345 743 38 PHE HA H 4.360 . 1 346 743 38 PHE HB2 H 2.999 . 2 347 743 38 PHE HB3 H 3.136 . 2 348 743 38 PHE HD1 H 7.193 . 1 349 743 38 PHE HD2 H 7.193 . 1 350 743 38 PHE HE1 H 7.271 . 1 351 743 38 PHE HE2 H 7.271 . 1 352 743 38 PHE CA C 59.263 . 1 353 743 38 PHE CB C 39.524 . 1 354 743 38 PHE CD1 C 130.918 . 2 355 743 38 PHE CE1 C 130.779 . 2 356 743 38 PHE N N 122.427 . 1 357 744 39 ASP H H 8.602 . 1 358 744 39 ASP HA H 4.380 . 1 359 744 39 ASP HB2 H 2.649 . 2 360 744 39 ASP HB3 H 2.734 . 2 361 744 39 ASP CA C 56.495 . 1 362 744 39 ASP CB C 40.119 . 1 363 744 39 ASP N N 120.044 . 1 364 745 40 SER H H 8.143 . 1 365 745 40 SER HA H 4.328 . 1 366 745 40 SER HB2 H 3.917 . 2 367 745 40 SER HB3 H 3.984 . 2 368 745 40 SER CA C 59.724 . 1 369 745 40 SER CB C 62.723 . 1 370 745 40 SER N N 114.527 . 1 371 746 41 MET H H 7.930 . 1 372 746 41 MET HA H 4.374 . 1 373 746 41 MET HB2 H 1.981 . 2 374 746 41 MET HB3 H 2.096 . 2 375 746 41 MET HE H 1.956 . 1 376 746 41 MET HG2 H 2.496 . 2 377 746 41 MET HG3 H 2.568 . 2 378 746 41 MET CA C 56.244 . 1 379 746 41 MET CB C 32.502 . 1 380 746 41 MET CE C 17.698 . 1 381 746 41 MET CG C 32.409 . 1 382 746 41 MET N N 120.044 . 1 383 747 42 MET H H 7.784 . 1 384 747 42 MET HA H 4.232 . 1 385 747 42 MET HB2 H 1.960 . 2 386 747 42 MET HB3 H 2.071 . 2 387 747 42 MET HE H 1.985 . 1 388 747 42 MET HG2 H 2.447 . 1 389 747 42 MET HG3 H 2.447 . 1 390 747 42 MET CA C 55.830 . 1 391 747 42 MET CB C 32.502 . 1 392 747 42 MET CE C 17.367 . 1 393 747 42 MET CG C 32.272 . 1 394 747 42 MET N N 117.035 . 1 395 748 43 ASN H H 7.960 . 1 396 748 43 ASN HA H 4.831 . 1 397 748 43 ASN HB2 H 2.808 . 2 398 748 43 ASN HB3 H 2.910 . 2 399 748 43 ASN HD21 H 6.940 . 2 400 748 43 ASN HD22 H 7.629 . 2 401 748 43 ASN CA C 53.146 . 1 402 748 43 ASN CB C 38.795 . 1 403 748 43 ASN N N 117.537 . 1 404 748 43 ASN ND2 N 112.772 . 1 405 749 44 THR H H 8.039 . 1 406 749 44 THR HA H 4.432 . 1 407 749 44 THR HB H 4.270 . 1 408 749 44 THR HG2 H 1.235 . 1 409 749 44 THR CA C 61.570 . 1 410 749 44 THR CB C 69.644 . 1 411 749 44 THR CG2 C 21.198 . 1 412 749 44 THR N N 114.026 . 1 413 750 45 VAL H H 7.690 . 1 414 750 45 VAL HA H 4.030 . 1 415 750 45 VAL HB H 2.076 . 1 416 750 45 VAL HG1 H 0.856 . 2 417 750 45 VAL HG2 H 0.879 . 2 418 750 45 VAL CA C 63.529 . 1 419 750 45 VAL CB C 32.906 . 1 420 750 45 VAL CG1 C 20.276 . 2 421 750 45 VAL CG2 C 21.537 . 2 422 750 45 VAL N N 125.812 . 1 stop_ save_