data_16014 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of protein complex ; _BMRB_accession_number 16014 _BMRB_flat_file_name bmr16014.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" 893 "13C chemical shifts" 515 "15N chemical shifts" 145 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_ 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 domains' _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 H. 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 'TAZ1/STAT2 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TAZ1 $TAZ1 STAT2 $STAT2 '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_TAZ1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TAZ1 _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; ATGPTADPEKRKLIQQQLVL LLHAHKCQRREQANGEVRAC SLPHCRTMKNVLNHMTHCQA GKACQVAHCASSRQIISHWK NCTRHDCPVCLPLKNASDKR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 340 ALA 2 341 THR 3 342 GLY 4 343 PRO 5 344 THR 6 345 ALA 7 346 ASP 8 347 PRO 9 348 GLU 10 349 LYS 11 350 ARG 12 351 LYS 13 352 LEU 14 353 ILE 15 354 GLN 16 355 GLN 17 356 GLN 18 357 LEU 19 358 VAL 20 359 LEU 21 360 LEU 22 361 LEU 23 362 HIS 24 363 ALA 25 364 HIS 26 365 LYS 27 366 CYS 28 367 GLN 29 368 ARG 30 369 ARG 31 370 GLU 32 371 GLN 33 372 ALA 34 373 ASN 35 374 GLY 36 375 GLU 37 376 VAL 38 377 ARG 39 378 ALA 40 379 CYS 41 380 SER 42 381 LEU 43 382 PRO 44 383 HIS 45 384 CYS 46 385 ARG 47 386 THR 48 387 MET 49 388 LYS 50 389 ASN 51 390 VAL 52 391 LEU 53 392 ASN 54 393 HIS 55 394 MET 56 395 THR 57 396 HIS 58 397 CYS 59 398 GLN 60 399 ALA 61 400 GLY 62 401 LYS 63 402 ALA 64 403 CYS 65 404 GLN 66 405 VAL 67 406 ALA 68 407 HIS 69 408 CYS 70 409 ALA 71 410 SER 72 411 SER 73 412 ARG 74 413 GLN 75 414 ILE 76 415 ILE 77 416 SER 78 417 HIS 79 418 TRP 80 419 LYS 81 420 ASN 82 421 CYS 83 422 THR 84 423 ARG 85 424 HIS 86 425 ASP 87 426 CYS 88 427 PRO 89 428 VAL 90 429 CYS 91 430 LEU 92 431 PRO 93 432 LEU 94 433 LYS 95 434 ASN 96 435 ALA 97 436 SER 98 437 ASP 99 438 LYS 100 439 ARG 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 18650 TAZ1 100.00 100 100.00 100.00 2.16e-65 PDB 1L8C "Structural Basis For Hif-1alphaCBP RECOGNITION IN THE Cellular Hypoxic Response" 95.00 95 100.00 100.00 3.87e-61 PDB 1R8U "Nmr Structure Of Cbp Taz1CITED2 COMPLEX" 100.00 100 100.00 100.00 2.16e-65 PDB 1U2N "Structure Cbp Taz1 Domain" 100.00 100 99.00 99.00 4.58e-64 PDB 2KA4 "Nmr Structure Of The Cbp-Taz1STAT2-Tad Complex" 100.00 100 100.00 100.00 2.16e-65 PDB 2LWW "Nmr Structure Of Rela-tad/cbp-taz1 Complex" 100.00 100 100.00 100.00 2.16e-65 DBJ BAE06125 "CREBBP variant protein [Homo sapiens]" 66.00 2472 98.48 98.48 1.86e-35 DBJ BAG65526 "unnamed protein product [Homo sapiens]" 53.00 1198 100.00 100.00 1.60e-28 DBJ BAI45616 "CREB binding protein [synthetic construct]" 100.00 2442 100.00 100.00 3.30e-62 EMBL CDQ85159 "unnamed protein product [Oncorhynchus mykiss]" 97.00 538 96.91 97.94 8.39e-53 GB AAB28651 "CREB-binding protein [Mus sp.]" 100.00 2441 99.00 99.00 5.66e-61 GB AAC08447 "CBP [Homo sapiens]" 100.00 555 100.00 100.00 2.84e-65 GB AAC51331 "CREB-binding protein [Homo sapiens]" 100.00 2442 100.00 100.00 3.30e-62 GB AAC51770 "CREB-binding protein [Homo sapiens]" 100.00 2442 100.00 100.00 3.14e-62 GB AAH44677 "Crebbp-A protein [Xenopus laevis]" 100.00 1047 97.00 98.00 1.03e-62 PRF 1923401A "protein CBP" 100.00 2441 99.00 99.00 5.66e-61 REF NP_001020603 "CREB-binding protein [Mus musculus]" 100.00 2441 100.00 100.00 3.60e-62 REF NP_001073315 "CREB-binding protein isoform b [Homo sapiens]" 66.00 2404 98.48 98.48 2.21e-35 REF NP_001088637 "CREB binding protein [Xenopus laevis]" 100.00 2428 97.00 98.00 2.73e-60 REF NP_001157494 "CREB-binding protein [Bos taurus]" 100.00 2435 99.00 100.00 9.26e-62 REF NP_001247644 "CREB-binding protein [Macaca mulatta]" 100.00 2442 100.00 100.00 3.46e-62 SP P45481 "RecName: Full=CREB-binding protein" 100.00 2441 100.00 100.00 3.33e-62 SP Q6JHU9 "RecName: Full=CREB-binding protein" 100.00 2442 100.00 100.00 3.49e-62 SP Q92793 "RecName: Full=CREB-binding protein" 100.00 2442 100.00 100.00 3.30e-62 TPG DAA15549 "TPA: CREB binding protein [Bos taurus]" 100.00 2435 99.00 100.00 9.26e-62 stop_ save_ save_STAT2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common STAT2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 57 _Mol_residue_sequence ; GSHMVPEPDLPHDLRHLNTE PMEIFRNSVKIEEIMPNGDP LLAGQNTVDEVYVSRPS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 782 GLY 2 783 SER 3 784 HIS 4 785 MET 5 786 VAL 6 787 PRO 7 788 GLU 8 789 PRO 9 790 ASP 10 791 LEU 11 792 PRO 12 793 HIS 13 794 ASP 14 795 LEU 15 796 ARG 16 797 HIS 17 798 LEU 18 799 ASN 19 800 THR 20 801 GLU 21 802 PRO 22 803 MET 23 804 GLU 24 805 ILE 25 806 PHE 26 807 ARG 27 808 ASN 28 809 SER 29 810 VAL 30 811 LYS 31 812 ILE 32 813 GLU 33 814 GLU 34 815 ILE 35 816 MET 36 817 PRO 37 818 ASN 38 819 GLY 39 820 ASP 40 821 PRO 41 822 LEU 42 823 LEU 43 824 ALA 44 825 GLY 45 826 GLN 46 827 ASN 47 828 THR 48 829 VAL 49 830 ASP 50 831 GLU 51 832 VAL 52 833 TYR 53 834 VAL 54 835 SER 55 836 ARG 56 837 PRO 57 838 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2013-12-03 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 2KA4 "Nmr Structure Of The Cbp-Taz1STAT2-Tad Complex" 100.00 57 100.00 100.00 1.25e-32 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on 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 $TAZ1 Mouse 10090 Eukaryota Metazoa Mus musculus $STAT2 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 $TAZ1 'recombinant technology' . Escherichia coli . pET $STAT2 '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 $TAZ1 1 mM '[U-100% 15N]' $STAT2 . mM 'natural abundance' $ZN . mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % '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 305 . 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 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 '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 TAZ1 _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 1 340 1 ALA HA H 4.193 . . 2 340 1 ALA HB H 1.580 . . 3 340 1 ALA CA C 51.797 . . 4 340 1 ALA CB C 19.540 . . 5 341 2 THR HA H 4.462 . . 6 341 2 THR HB H 4.257 . . 7 341 2 THR HG2 H 1.275 . . 8 341 2 THR CA C 61.936 . . 9 341 2 THR CB C 69.770 . . 10 341 2 THR CG2 C 21.614 . . 11 342 3 GLY HA2 H 4.141 . . 12 342 3 GLY HA3 H 4.238 . . 13 342 3 GLY CA C 44.424 . . 14 343 4 PRO HA H 4.567 . . 15 343 4 PRO HB2 H 2.030 . . 16 343 4 PRO HB3 H 2.352 . . 17 343 4 PRO HD2 H 3.679 . . 18 343 4 PRO HD3 H 3.711 . . 19 343 4 PRO HG2 H 2.081 . . 20 343 4 PRO HG3 H 2.081 . . 21 343 4 PRO CA C 63.088 . . 22 343 4 PRO CB C 32.443 . . 23 343 4 PRO CD C 49.954 . . 24 343 4 PRO CG C 27.604 . . 25 344 5 THR H H 8.284 . . 26 344 5 THR HA H 4.342 . . 27 344 5 THR HB H 4.236 . . 28 344 5 THR HG2 H 1.266 . . 29 344 5 THR CA C 61.936 . . 30 344 5 THR CB C 69.539 . . 31 344 5 THR CG2 C 22.075 . . 32 344 5 THR N N 113.968 . . 33 345 6 ALA H H 8.269 . . 34 345 6 ALA HA H 4.434 . . 35 345 6 ALA HB H 1.387 . . 36 345 6 ALA CA C 52.028 . . 37 345 6 ALA CB C 19.771 . . 38 345 6 ALA N N 126.619 . . 39 346 7 ASP H H 8.454 . . 40 346 7 ASP HA H 4.917 . . 41 346 7 ASP HB2 H 2.706 . . 42 346 7 ASP HB3 H 2.836 . . 43 346 7 ASP CA C 52.719 . . 44 346 7 ASP CB C 41.659 . . 45 346 7 ASP N N 120.766 . . 46 347 8 PRO HA H 4.398 . . 47 347 8 PRO HB2 H 2.021 . . 48 347 8 PRO HB3 H 2.394 . . 49 347 8 PRO HD2 H 3.924 . . 50 347 8 PRO HD3 H 4.020 . . 51 347 8 PRO HG2 H 2.072 . . 52 347 8 PRO HG3 H 2.175 . . 53 347 8 PRO CA C 64.931 . . 54 347 8 PRO CB C 32.388 . . 55 347 8 PRO CD C 51.106 . . 56 347 8 PRO CG C 27.374 . . 57 348 9 GLU H H 8.113 . . 58 348 9 GLU HA H 4.154 . . 59 348 9 GLU HB2 H 2.118 . . 60 348 9 GLU HB3 H 2.118 . . 61 348 9 GLU HG2 H 2.319 . . 62 348 9 GLU HG3 H 2.424 . . 63 348 9 GLU CB C 30.138 . . 64 348 9 GLU CG C 36.590 . . 65 348 9 GLU N N 116.423 . . 66 349 10 LYS H H 7.699 . . 67 349 10 LYS HA H 3.982 . . 68 349 10 LYS HB2 H 1.796 . . 69 349 10 LYS HB3 H 1.979 . . 70 349 10 LYS HD2 H 1.724 . . 71 349 10 LYS HD3 H 1.777 . . 72 349 10 LYS HE2 H 3.016 . . 73 349 10 LYS HE3 H 3.016 . . 74 349 10 LYS HG2 H 1.441 . . 75 349 10 LYS HG3 H 1.559 . . 76 349 10 LYS CA C 60.092 . . 77 349 10 LYS CB C 32.558 . . 78 349 10 LYS CD C 29.678 . . 79 349 10 LYS CE C 42.002 . . 80 349 10 LYS CG C 25.991 . . 81 349 10 LYS N N 119.255 . . 82 350 11 ARG H H 7.845 . . 83 350 11 ARG HA H 3.656 . . 84 350 11 ARG HB2 H 1.965 . . 85 350 11 ARG HB3 H 2.041 . . 86 350 11 ARG HD2 H 2.836 . . 87 350 11 ARG HD3 H 3.150 . . 88 350 11 ARG HG2 H 1.454 . . 89 350 11 ARG HG3 H 1.624 . . 90 350 11 ARG CA C 60.092 . . 91 350 11 ARG CB C 28.295 . . 92 350 11 ARG CD C 42.350 . . 93 350 11 ARG CG C 25.761 . . 94 350 11 ARG N N 117.178 . . 95 351 12 LYS H H 7.888 . . 96 351 12 LYS HA H 4.198 . . 97 351 12 LYS HB2 H 1.942 . . 98 351 12 LYS HB3 H 2.023 . . 99 351 12 LYS HG2 H 1.522 . . 100 351 12 LYS HG3 H 1.646 . . 101 351 12 LYS CA C 59.631 . . 102 351 12 LYS CB C 32.673 . . 103 351 12 LYS CG C 25.991 . . 104 351 12 LYS N N 117.745 . . 105 352 13 LEU H H 7.696 . . 106 352 13 LEU HA H 4.259 . . 107 352 13 LEU HB2 H 1.541 . . 108 352 13 LEU HB3 H 2.041 . . 109 352 13 LEU HD1 H 0.920 . . 110 352 13 LEU HD2 H 0.864 . . 111 352 13 LEU HG H 1.950 . . 112 352 13 LEU CA C 58.019 . . 113 352 13 LEU CB C 42.120 . . 114 352 13 LEU CD1 C 26.221 . . 115 352 13 LEU CD2 C 22.536 . . 116 352 13 LEU CG C 26.913 . . 117 352 13 LEU N N 119.444 . . 118 353 14 ILE H H 7.831 . . 119 353 14 ILE HA H 3.648 . . 120 353 14 ILE HB H 1.854 . . 121 353 14 ILE HD1 H 0.780 . . 122 353 14 ILE HG12 H 0.693 . . 123 353 14 ILE HG13 H 1.971 . . 124 353 14 ILE HG2 H 0.782 . . 125 353 14 ILE CA C 65.392 . . 126 353 14 ILE CB C 38.203 . . 127 353 14 ILE CD1 C 15.393 . . 128 353 14 ILE CG1 C 30.599 . . 129 353 14 ILE CG2 C 17.697 . . 130 353 14 ILE N N 118.311 . . 131 354 15 GLN H H 8.178 . . 132 354 15 GLN HA H 3.791 . . 133 354 15 GLN HB2 H 1.990 . . 134 354 15 GLN HB3 H 2.561 . . 135 354 15 GLN HE21 H 6.496 . . 136 354 15 GLN HE22 H 8.076 . . 137 354 15 GLN HG2 H 2.382 . . 138 354 15 GLN HG3 H 2.681 . . 139 354 15 GLN CA C 59.631 . . 140 354 15 GLN CB C 30.369 . . 141 354 15 GLN CG C 35.208 . . 142 354 15 GLN N N 116.423 . . 143 354 15 GLN NE2 N 111.514 . . 144 355 16 GLN H H 8.192 . . 145 355 16 GLN HA H 3.799 . . 146 355 16 GLN HB2 H 1.965 . . 147 355 16 GLN HB3 H 2.471 . . 148 355 16 GLN HE21 H 7.129 . . 149 355 16 GLN HE22 H 7.395 . . 150 355 16 GLN HG2 H 2.627 . . 151 355 16 GLN HG3 H 2.627 . . 152 355 16 GLN CA C 59.171 . . 153 355 16 GLN CB C 28.986 . . 154 355 16 GLN CG C 34.747 . . 155 355 16 GLN N N 117.178 . . 156 355 16 GLN NE2 N 110.192 . . 157 356 17 GLN H H 7.970 . . 158 356 17 GLN HA H 3.136 . . 159 356 17 GLN HB2 H 1.837 . . 160 356 17 GLN HB3 H 2.155 . . 161 356 17 GLN HE21 H 6.406 . . 162 356 17 GLN HE22 H 6.674 . . 163 356 17 GLN HG2 H 1.796 . . 164 356 17 GLN HG3 H 1.979 . . 165 356 17 GLN CA C 60.323 . . 166 356 17 GLN CB C 27.143 . . 167 356 17 GLN CG C 33.825 . . 168 356 17 GLN N N 118.311 . . 169 356 17 GLN NE2 N 105.660 . . 170 357 18 LEU H H 8.408 . . 171 357 18 LEU HA H 3.863 . . 172 357 18 LEU HB2 H 1.290 . . 173 357 18 LEU HB3 H 2.014 . . 174 357 18 LEU HD1 H 0.781 . . 175 357 18 LEU HD2 H 0.496 . . 176 357 18 LEU HG H 1.009 . . 177 357 18 LEU CA C 58.710 . . 178 357 18 LEU CB C 40.968 . . 179 357 18 LEU CD1 C 26.913 . . 180 357 18 LEU CD2 C 21.153 . . 181 357 18 LEU CG C 26.913 . . 182 357 18 LEU N N 117.934 . . 183 358 19 VAL H H 8.544 . . 184 358 19 VAL HA H 3.479 . . 185 358 19 VAL HB H 2.063 . . 186 358 19 VAL HG1 H 0.924 . . 187 358 19 VAL HG2 H 1.039 . . 188 358 19 VAL CA C 66.544 . . 189 358 19 VAL CB C 31.060 . . 190 358 19 VAL CG1 C 22.305 . . 191 358 19 VAL CG2 C 23.918 . . 192 358 19 VAL N N 116.423 . . 193 359 20 LEU H H 7.820 . . 194 359 20 LEU HA H 3.952 . . 195 359 20 LEU HB2 H 1.153 . . 196 359 20 LEU HB3 H 1.725 . . 197 359 20 LEU HD1 H 0.516 . . 198 359 20 LEU HD2 H 0.724 . . 199 359 20 LEU HG H 1.600 . . 200 359 20 LEU CA C 58.019 . . 201 359 20 LEU CB C 42.696 . . 202 359 20 LEU CD1 C 25.761 . . 203 359 20 LEU CD2 C 23.918 . . 204 359 20 LEU CG C 27.143 . . 205 359 20 LEU N N 120.955 . . 206 360 21 LEU H H 8.278 . . 207 360 21 LEU HA H 3.868 . . 208 360 21 LEU HB2 H 1.214 . . 209 360 21 LEU HB3 H 2.203 . . 210 360 21 LEU HD1 H 0.960 . . 211 360 21 LEU HD2 H 0.983 . . 212 360 21 LEU HG H 1.819 . . 213 360 21 LEU CA C 58.710 . . 214 360 21 LEU CB C 42.811 . . 215 360 21 LEU CD1 C 25.761 . . 216 360 21 LEU CD2 C 23.457 . . 217 360 21 LEU CG C 27.374 . . 218 360 21 LEU N N 121.144 . . 219 361 22 LEU H H 8.331 . . 220 361 22 LEU HA H 3.919 . . 221 361 22 LEU HB2 H 1.229 . . 222 361 22 LEU HB3 H 1.746 . . 223 361 22 LEU HD1 H -0.043 . . 224 361 22 LEU HD2 H 0.241 . . 225 361 22 LEU HG H 1.460 . . 226 361 22 LEU CA C 57.788 . . 227 361 22 LEU CB C 41.083 . . 228 361 22 LEU CD1 C 25.070 . . 229 361 22 LEU CD2 C 21.153 . . 230 361 22 LEU CG C 25.991 . . 231 361 22 LEU N N 118.500 . . 232 362 23 HIS H H 8.620 . . 233 362 23 HIS HA H 4.114 . . 234 362 23 HIS HB2 H 3.145 . . 235 362 23 HIS HB3 H 3.431 . . 236 362 23 HIS HD2 H 7.186 . . 237 362 23 HIS HE1 H 7.985 . . 238 362 23 HIS CA C 60.323 . . 239 362 23 HIS CB C 27.834 . . 240 362 23 HIS CD2 C 128.063 . . 241 362 23 HIS CE1 C 138.432 . . 242 362 23 HIS N N 117.934 . . 243 363 24 ALA H H 9.049 . . 244 363 24 ALA HA H 3.954 . . 245 363 24 ALA HB H 1.535 . . 246 363 24 ALA CA C 55.253 . . 247 363 24 ALA CB C 19.079 . . 248 363 24 ALA N N 121.710 . . 249 364 25 HIS H H 7.955 . . 250 364 25 HIS HA H 4.130 . . 251 364 25 HIS HB2 H 3.129 . . 252 364 25 HIS HB3 H 3.161 . . 253 364 25 HIS HD2 H 6.962 . . 254 364 25 HIS HE1 H 7.653 . . 255 364 25 HIS CA C 60.092 . . 256 364 25 HIS CB C 31.060 . . 257 364 25 HIS CD2 C 120.229 . . 258 364 25 HIS CE1 C 137.510 . . 259 364 25 HIS N N 115.856 . . 260 365 26 LYS H H 7.053 . . 261 365 26 LYS HA H 4.014 . . 262 365 26 LYS HB2 H 1.865 . . 263 365 26 LYS HB3 H 1.865 . . 264 365 26 LYS CA C 57.788 . . 265 365 26 LYS CB C 32.903 . . 266 365 26 LYS N N 117.178 . . 267 366 27 CYS H H 8.592 . . 268 366 27 CYS HA H 3.741 . . 269 366 27 CYS HB2 H 2.030 . . 270 366 27 CYS HB3 H 2.520 . . 271 366 27 CYS CA C 62.396 . . 272 366 27 CYS CB C 29.678 . . 273 366 27 CYS N N 123.976 . . 274 367 28 GLN H H 8.349 . . 275 367 28 GLN HA H 4.283 . . 276 367 28 GLN HB2 H 2.077 . . 277 367 28 GLN HB3 H 2.167 . . 278 367 28 GLN HE21 H 6.722 . . 279 367 28 GLN HE22 H 7.396 . . 280 367 28 GLN HG2 H 2.397 . . 281 367 28 GLN HG3 H 2.438 . . 282 367 28 GLN CA C 57.327 . . 283 367 28 GLN CB C 29.217 . . 284 367 28 GLN CG C 34.055 . . 285 367 28 GLN N N 119.444 . . 286 367 28 GLN NE2 N 110.381 . . 287 368 29 ARG H H 7.635 . . 288 368 29 ARG HA H 4.169 . . 289 368 29 ARG HB2 H 1.819 . . 290 368 29 ARG HB3 H 1.910 . . 291 368 29 ARG HD2 H 3.159 . . 292 368 29 ARG HD3 H 3.159 . . 293 368 29 ARG HG2 H 1.629 . . 294 368 29 ARG HG3 H 1.691 . . 295 368 29 ARG CA C 57.558 . . 296 368 29 ARG CB C 29.908 . . 297 368 29 ARG CD C 43.272 . . 298 368 29 ARG CG C 27.604 . . 299 368 29 ARG N N 119.444 . . 300 369 30 ARG H H 8.018 . . 301 369 30 ARG HA H 4.260 . . 302 369 30 ARG HB2 H 1.885 . . 303 369 30 ARG HB3 H 1.966 . . 304 369 30 ARG HD2 H 3.254 . . 305 369 30 ARG HD3 H 3.254 . . 306 369 30 ARG HG2 H 1.670 . . 307 369 30 ARG HG3 H 1.752 . . 308 369 30 ARG CA C 57.558 . . 309 369 30 ARG CB C 30.599 . . 310 369 30 ARG CD C 43.502 . . 311 369 30 ARG CG C 27.374 . . 312 369 30 ARG N N 120.388 . . 313 370 31 GLU H H 8.208 . . 314 370 31 GLU HA H 4.236 . . 315 370 31 GLU HB2 H 2.119 . . 316 370 31 GLU HB3 H 2.119 . . 317 370 31 GLU HG2 H 2.340 . . 318 370 31 GLU HG3 H 2.420 . . 319 370 31 GLU CA C 57.788 . . 320 370 31 GLU CB C 30.369 . . 321 370 31 GLU CG C 36.590 . . 322 370 31 GLU N N 120.388 . . 323 371 32 GLN H H 8.165 . . 324 371 32 GLN HA H 4.313 . . 325 371 32 GLN HB2 H 2.091 . . 326 371 32 GLN HB3 H 2.176 . . 327 371 32 GLN HG2 H 2.428 . . 328 371 32 GLN HG3 H 2.428 . . 329 371 32 GLN CA C 56.636 . . 330 371 32 GLN CB C 29.217 . . 331 371 32 GLN CG C 34.055 . . 332 371 32 GLN N N 118.878 . . 333 372 33 ALA H H 8.095 . . 334 372 33 ALA HA H 4.327 . . 335 372 33 ALA HB H 1.461 . . 336 372 33 ALA CA C 53.180 . . 337 372 33 ALA CB C 19.079 . . 338 372 33 ALA N N 123.032 . . 339 373 34 ASN H H 8.186 . . 340 373 34 ASN HA H 4.735 . . 341 373 34 ASN HB2 H 2.900 . . 342 373 34 ASN HB3 H 2.900 . . 343 373 34 ASN CA C 53.410 . . 344 373 34 ASN CB C 38.894 . . 345 373 34 ASN N N 115.479 . . 346 374 35 GLY H H 8.266 . . 347 374 35 GLY HA2 H 3.943 . . 348 374 35 GLY HA3 H 4.044 . . 349 374 35 GLY CA C 45.576 . . 350 374 35 GLY N N 108.492 . . 351 375 36 GLU H H 8.132 . . 352 375 36 GLU HA H 4.368 . . 353 375 36 GLU HB2 H 1.959 . . 354 375 36 GLU HB3 H 2.057 . . 355 375 36 GLU HG2 H 2.204 . . 356 375 36 GLU HG3 H 2.256 . . 357 375 36 GLU CA C 55.945 . . 358 375 36 GLU CB C 30.369 . . 359 375 36 GLU CG C 36.360 . . 360 375 36 GLU N N 119.822 . . 361 376 37 VAL H H 8.132 . . 362 376 37 VAL HA H 4.139 . . 363 376 37 VAL HB H 2.083 . . 364 376 37 VAL HG1 H 0.961 . . 365 376 37 VAL HG2 H 0.936 . . 366 376 37 VAL CA C 62.166 . . 367 376 37 VAL CB C 32.673 . . 368 376 37 VAL CG1 C 20.923 . . 369 376 37 VAL CG2 C 21.384 . . 370 376 37 VAL N N 121.144 . . 371 377 38 ARG H H 8.455 . . 372 377 38 ARG HA H 4.392 . . 373 377 38 ARG HB2 H 1.759 . . 374 377 38 ARG HB3 H 1.843 . . 375 377 38 ARG HD2 H 3.222 . . 376 377 38 ARG HD3 H 3.222 . . 377 377 38 ARG HG2 H 1.654 . . 378 377 38 ARG HG3 H 1.654 . . 379 377 38 ARG CA C 55.253 . . 380 377 38 ARG CB C 31.060 . . 381 377 38 ARG CD C 43.502 . . 382 377 38 ARG CG C 27.143 . . 383 377 38 ARG N N 125.109 . . 384 378 39 ALA H H 8.384 . . 385 378 39 ALA HA H 4.287 . . 386 378 39 ALA HB H 1.356 . . 387 378 39 ALA CA C 52.028 . . 388 378 39 ALA CB C 19.540 . . 389 378 39 ALA N N 126.053 . . 390 379 40 CYS H H 8.480 . . 391 379 40 CYS HA H 4.344 . . 392 379 40 CYS HB2 H 2.855 . . 393 379 40 CYS HB3 H 2.855 . . 394 379 40 CYS CA C 60.092 . . 395 379 40 CYS CB C 30.138 . . 396 379 40 CYS N N 123.787 . . 397 380 41 SER HA H 4.588 . . 398 380 41 SER HB2 H 3.876 . . 399 380 41 SER HB3 H 4.065 . . 400 380 41 SER CA C 57.788 . . 401 380 41 SER CB C 63.779 . . 402 381 42 LEU H H 8.642 . . 403 381 42 LEU HA H 4.488 . . 404 381 42 LEU HB2 H 1.337 . . 405 381 42 LEU HB3 H 1.471 . . 406 381 42 LEU HD1 H 0.523 . . 407 381 42 LEU HD2 H 0.464 . . 408 381 42 LEU HG H 1.527 . . 409 381 42 LEU CA C 53.871 . . 410 381 42 LEU CB C 41.659 . . 411 381 42 LEU CD1 C 24.379 . . 412 381 42 LEU CD2 C 23.918 . . 413 381 42 LEU CG C 26.913 . . 414 381 42 LEU N N 129.074 . . 415 382 43 PRO HA H 4.095 . . 416 382 43 PRO HB2 H 1.644 . . 417 382 43 PRO HB3 H 2.091 . . 418 382 43 PRO HD2 H 3.680 . . 419 382 43 PRO HD3 H 4.160 . . 420 382 43 PRO HG2 H 1.989 . . 421 382 43 PRO HG3 H 2.134 . . 422 382 43 PRO CA C 64.470 . . 423 382 43 PRO CB C 31.751 . . 424 382 43 PRO CD C 51.106 . . 425 382 43 PRO CG C 27.834 . . 426 383 44 HIS H H 8.014 . . 427 383 44 HIS HA H 4.527 . . 428 383 44 HIS HB2 H 3.207 . . 429 383 44 HIS HB3 H 3.207 . . 430 383 44 HIS HD2 H 6.982 . . 431 383 44 HIS HE1 H 7.693 . . 432 383 44 HIS CA C 58.249 . . 433 383 44 HIS CB C 30.369 . . 434 383 44 HIS CD2 C 117.464 . . 435 383 44 HIS CE1 C 137.741 . . 436 383 44 HIS N N 110.569 . . 437 384 45 CYS H H 7.729 . . 438 384 45 CYS HA H 4.023 . . 439 384 45 CYS HB2 H 2.767 . . 440 384 45 CYS HB3 H 3.141 . . 441 384 45 CYS CA C 64.470 . . 442 384 45 CYS CB C 28.756 . . 443 384 45 CYS N N 124.165 . . 444 385 46 ARG H H 8.239 . . 445 385 46 ARG HA H 3.978 . . 446 385 46 ARG HB2 H 1.987 . . 447 385 46 ARG HB3 H 2.046 . . 448 385 46 ARG HD2 H 3.292 . . 449 385 46 ARG HD3 H 3.347 . . 450 385 46 ARG HG2 H 1.751 . . 451 385 46 ARG HG3 H 1.819 . . 452 385 46 ARG CA C 59.401 . . 453 385 46 ARG CB C 28.986 . . 454 385 46 ARG CD C 42.811 . . 455 385 46 ARG CG C 26.452 . . 456 385 46 ARG N N 116.612 . . 457 386 47 THR H H 7.496 . . 458 386 47 THR HA H 4.008 . . 459 386 47 THR HB H 4.482 . . 460 386 47 THR HG2 H 1.364 . . 461 386 47 THR CA C 65.853 . . 462 386 47 THR CB C 68.387 . . 463 386 47 THR CG2 C 21.844 . . 464 386 47 THR N N 114.346 . . 465 387 48 MET H H 8.216 . . 466 387 48 MET HA H 4.622 . . 467 387 48 MET HB2 H 1.815 . . 468 387 48 MET HB3 H 2.247 . . 469 387 48 MET HE H 1.643 . . 470 387 48 MET HG2 H 2.379 . . 471 387 48 MET HG3 H 2.730 . . 472 387 48 MET CA C 56.636 . . 473 387 48 MET CB C 31.291 . . 474 387 48 MET CE C 18.619 . . 475 387 48 MET CG C 33.825 . . 476 387 48 MET N N 119.444 . . 477 388 49 LYS H H 9.306 . . 478 388 49 LYS HA H 3.923 . . 479 388 49 LYS HB2 H 1.884 . . 480 388 49 LYS HB3 H 2.094 . . 481 388 49 LYS HD2 H 1.684 . . 482 388 49 LYS HD3 H 1.725 . . 483 388 49 LYS HE2 H 2.816 . . 484 388 49 LYS HE3 H 3.272 . . 485 388 49 LYS HG2 H 1.280 . . 486 388 49 LYS HG3 H 1.280 . . 487 388 49 LYS CA C 61.244 . . 488 388 49 LYS CB C 32.903 . . 489 388 49 LYS CD C 30.369 . . 490 388 49 LYS CE C 42.350 . . 491 388 49 LYS CG C 27.604 . . 492 388 49 LYS N N 122.276 . . 493 389 50 ASN H H 8.069 . . 494 389 50 ASN HA H 4.629 . . 495 389 50 ASN HB2 H 2.985 . . 496 389 50 ASN HB3 H 3.231 . . 497 389 50 ASN HD21 H 6.966 . . 498 389 50 ASN HD22 H 7.776 . . 499 389 50 ASN CA C 56.175 . . 500 389 50 ASN CB C 37.512 . . 501 389 50 ASN N N 117.178 . . 502 389 50 ASN ND2 N 111.702 . . 503 390 51 VAL H H 8.116 . . 504 390 51 VAL HA H 3.803 . . 505 390 51 VAL HB H 2.466 . . 506 390 51 VAL HG1 H 1.061 . . 507 390 51 VAL HG2 H 1.314 . . 508 390 51 VAL CA C 67.235 . . 509 390 51 VAL CB C 31.751 . . 510 390 51 VAL CG1 C 21.384 . . 511 390 51 VAL CG2 C 23.688 . . 512 390 51 VAL N N 123.598 . . 513 391 52 LEU H H 8.735 . . 514 391 52 LEU HA H 4.123 . . 515 391 52 LEU HB2 H 1.531 . . 516 391 52 LEU HB3 H 2.023 . . 517 391 52 LEU HD1 H 0.861 . . 518 391 52 LEU HD2 H 0.855 . . 519 391 52 LEU HG H 1.836 . . 520 391 52 LEU CA C 58.479 . . 521 391 52 LEU CB C 41.659 . . 522 391 52 LEU CD1 C 22.996 . . 523 391 52 LEU CD2 C 25.761 . . 524 391 52 LEU CG C 27.374 . . 525 391 52 LEU N N 120.955 . . 526 392 53 ASN H H 8.231 . . 527 392 53 ASN HA H 4.561 . . 528 392 53 ASN HB2 H 2.986 . . 529 392 53 ASN HB3 H 2.986 . . 530 392 53 ASN HD21 H 7.118 . . 531 392 53 ASN HD22 H 7.764 . . 532 392 53 ASN CA C 56.175 . . 533 392 53 ASN CB C 38.433 . . 534 392 53 ASN N N 116.801 . . 535 392 53 ASN ND2 N 112.080 . . 536 393 54 HIS H H 8.049 . . 537 393 54 HIS HA H 4.418 . . 538 393 54 HIS HB2 H 3.438 . . 539 393 54 HIS HB3 H 3.654 . . 540 393 54 HIS HD2 H 7.336 . . 541 393 54 HIS HE1 H 8.032 . . 542 393 54 HIS CA C 59.401 . . 543 393 54 HIS CB C 27.604 . . 544 393 54 HIS CD2 C 128.063 . . 545 393 54 HIS CE1 C 138.662 . . 546 393 54 HIS N N 120.011 . . 547 394 55 MET H H 9.118 . . 548 394 55 MET HA H 3.704 . . 549 394 55 MET HB2 H 2.193 . . 550 394 55 MET HB3 H 2.446 . . 551 394 55 MET HE H 2.024 . . 552 394 55 MET HG2 H 2.916 . . 553 394 55 MET HG3 H 2.976 . . 554 394 55 MET CA C 59.401 . . 555 394 55 MET CB C 34.286 . . 556 394 55 MET CE C 16.775 . . 557 394 55 MET CG C 31.982 . . 558 394 55 MET N N 119.066 . . 559 395 56 THR H H 7.521 . . 560 395 56 THR HA H 3.915 . . 561 395 56 THR HB H 4.024 . . 562 395 56 THR HG2 H 1.110 . . 563 395 56 THR CA C 65.392 . . 564 395 56 THR CB C 69.309 . . 565 395 56 THR CG2 C 21.614 . . 566 395 56 THR N N 110.758 . . 567 396 57 HIS H H 7.023 . . 568 396 57 HIS HA H 4.846 . . 569 396 57 HIS HB2 H 3.023 . . 570 396 57 HIS HB3 H 3.359 . . 571 396 57 HIS HD2 H 7.197 . . 572 396 57 HIS HE1 H 8.088 . . 573 396 57 HIS CA C 55.023 . . 574 396 57 HIS CB C 30.830 . . 575 396 57 HIS CD2 C 120.460 . . 576 396 57 HIS CE1 C 136.819 . . 577 396 57 HIS N N 115.668 . . 578 397 58 CYS H H 7.134 . . 579 397 58 CYS HA H 4.048 . . 580 397 58 CYS HB2 H 1.977 . . 581 397 58 CYS HB3 H 2.532 . . 582 397 58 CYS CA C 60.784 . . 583 397 58 CYS CB C 29.678 . . 584 397 58 CYS N N 123.598 . . 585 398 59 GLN HA H 4.710 . . 586 398 59 GLN HB2 H 1.899 . . 587 398 59 GLN HB3 H 2.467 . . 588 398 59 GLN HG2 H 2.402 . . 589 398 59 GLN HG3 H 2.461 . . 590 398 59 GLN CA C 55.023 . . 591 398 59 GLN CB C 29.678 . . 592 398 59 GLN CG C 33.825 . . 593 399 60 ALA H H 8.689 . . 594 399 60 ALA HA H 4.414 . . 595 399 60 ALA HB H 1.468 . . 596 399 60 ALA CA C 52.949 . . 597 399 60 ALA CB C 20.001 . . 598 399 60 ALA N N 124.731 . . 599 400 61 GLY H H 8.166 . . 600 400 61 GLY HA2 H 3.621 . . 601 400 61 GLY HA3 H 3.976 . . 602 400 61 GLY CA C 46.267 . . 603 400 61 GLY N N 107.926 . . 604 401 62 LYS HA H 4.138 . . 605 401 62 LYS CA C 58.479 . . 606 402 63 ALA H H 7.671 . . 607 402 63 ALA HA H 4.448 . . 608 402 63 ALA HB H 1.502 . . 609 402 63 ALA CA C 51.336 . . 610 402 63 ALA CB C 19.079 . . 611 402 63 ALA N N 119.444 . . 612 403 64 CYS H H 7.497 . . 613 403 64 CYS HA H 3.857 . . 614 403 64 CYS HB2 H 2.867 . . 615 403 64 CYS HB3 H 2.867 . . 616 403 64 CYS CA C 62.396 . . 617 403 64 CYS CB C 29.908 . . 618 403 64 CYS N N 121.899 . . 619 404 65 GLN H H 9.025 . . 620 404 65 GLN HA H 4.463 . . 621 404 65 GLN HB2 H 1.932 . . 622 404 65 GLN HB3 H 2.433 . . 623 404 65 GLN HE21 H 6.835 . . 624 404 65 GLN HE22 H 7.430 . . 625 404 65 GLN HG2 H 2.422 . . 626 404 65 GLN HG3 H 2.506 . . 627 404 65 GLN CA C 55.673 . . 628 404 65 GLN CB C 29.332 . . 629 404 65 GLN CG C 34.055 . . 630 404 65 GLN N N 128.885 . . 631 404 65 GLN NE2 N 112.458 . . 632 405 66 VAL H H 9.337 . . 633 405 66 VAL HA H 3.631 . . 634 405 66 VAL HB H 1.924 . . 635 405 66 VAL HG1 H 0.464 . . 636 405 66 VAL HG2 H 0.628 . . 637 405 66 VAL CA C 64.240 . . 638 405 66 VAL CB C 30.830 . . 639 405 66 VAL CG1 C 20.231 . . 640 405 66 VAL CG2 C 22.766 . . 641 405 66 VAL N N 127.752 . . 642 406 67 ALA H H 8.581 . . 643 406 67 ALA HA H 3.761 . . 644 406 67 ALA HB H 0.953 . . 645 406 67 ALA CA C 54.101 . . 646 406 67 ALA CB C 17.467 . . 647 406 67 ALA N N 133.983 . . 648 407 68 HIS H H 8.099 . . 649 407 68 HIS HA H 4.407 . . 650 407 68 HIS HB2 H 3.008 . . 651 407 68 HIS HB3 H 3.685 . . 652 407 68 HIS HD2 H 6.630 . . 653 407 68 HIS HE1 H 7.382 . . 654 407 68 HIS CA C 57.327 . . 655 407 68 HIS CB C 29.447 . . 656 407 68 HIS CD2 C 117.464 . . 657 407 68 HIS CE1 C 137.510 . . 658 407 68 HIS N N 110.569 . . 659 408 69 CYS H H 8.086 . . 660 408 69 CYS HA H 4.163 . . 661 408 69 CYS HB2 H 2.570 . . 662 408 69 CYS HB3 H 3.306 . . 663 408 69 CYS CA C 64.240 . . 664 408 69 CYS CB C 29.908 . . 665 408 69 CYS N N 126.619 . . 666 409 70 ALA H H 8.728 . . 667 409 70 ALA HA H 4.333 . . 668 409 70 ALA HB H 1.530 . . 669 409 70 ALA CA C 55.253 . . 670 409 70 ALA CB C 17.697 . . 671 409 70 ALA N N 118.689 . . 672 410 71 SER H H 9.179 . . 673 410 71 SER HA H 4.138 . . 674 410 71 SER HB2 H 3.831 . . 675 410 71 SER HB3 H 4.139 . . 676 410 71 SER CA C 60.323 . . 677 410 71 SER CB C 61.244 . . 678 410 71 SER N N 114.535 . . 679 411 72 SER H H 7.937 . . 680 411 72 SER HA H 4.048 . . 681 411 72 SER HB2 H 3.623 . . 682 411 72 SER HB3 H 4.496 . . 683 411 72 SER HG H 5.478 . . 684 411 72 SER CA C 64.240 . . 685 411 72 SER CB C 62.396 . . 686 411 72 SER N N 120.766 . . 687 412 73 ARG H H 8.835 . . 688 412 73 ARG HA H 3.855 . . 689 412 73 ARG HB2 H 1.982 . . 690 412 73 ARG HB3 H 2.119 . . 691 412 73 ARG HD2 H 3.195 . . 692 412 73 ARG HD3 H 3.370 . . 693 412 73 ARG HG2 H 1.619 . . 694 412 73 ARG HG3 H 1.912 . . 695 412 73 ARG CA C 60.323 . . 696 412 73 ARG CB C 30.369 . . 697 412 73 ARG CD C 43.272 . . 698 412 73 ARG CG C 27.604 . . 699 412 73 ARG N N 122.276 . . 700 413 74 GLN H H 7.873 . . 701 413 74 GLN HA H 4.182 . . 702 413 74 GLN HB2 H 2.204 . . 703 413 74 GLN HB3 H 2.357 . . 704 413 74 GLN HE21 H 7.063 . . 705 413 74 GLN HE22 H 7.665 . . 706 413 74 GLN HG2 H 2.494 . . 707 413 74 GLN HG3 H 2.582 . . 708 413 74 GLN CA C 58.710 . . 709 413 74 GLN CB C 29.447 . . 710 413 74 GLN CG C 34.055 . . 711 413 74 GLN N N 118.689 . . 712 413 74 GLN NE2 N 111.514 . . 713 414 75 ILE H H 8.754 . . 714 414 75 ILE HA H 3.617 . . 715 414 75 ILE HB H 1.807 . . 716 414 75 ILE HD1 H 0.772 . . 717 414 75 ILE HG12 H 1.967 . . 718 414 75 ILE HG13 H 1.967 . . 719 414 75 ILE HG2 H 0.849 . . 720 414 75 ILE CA C 66.544 . . 721 414 75 ILE CB C 38.664 . . 722 414 75 ILE CD1 C 14.241 . . 723 414 75 ILE CG1 C 30.599 . . 724 414 75 ILE CG2 C 19.079 . . 725 414 75 ILE N N 121.710 . . 726 415 76 ILE H H 8.856 . . 727 415 76 ILE HA H 3.863 . . 728 415 76 ILE HB H 1.967 . . 729 415 76 ILE HD1 H 0.778 . . 730 415 76 ILE HG12 H 1.151 . . 731 415 76 ILE HG13 H 1.717 . . 732 415 76 ILE HG2 H 0.982 . . 733 415 76 ILE CA C 64.701 . . 734 415 76 ILE CB C 37.051 . . 735 415 76 ILE CD1 C 12.858 . . 736 415 76 ILE CG1 C 29.678 . . 737 415 76 ILE CG2 C 18.158 . . 738 415 76 ILE N N 120.199 . . 739 416 77 SER H H 7.981 . . 740 416 77 SER HA H 4.153 . . 741 416 77 SER HB2 H 4.028 . . 742 416 77 SER HB3 H 4.067 . . 743 416 77 SER CA C 62.166 . . 744 416 77 SER CB C 62.627 . . 745 416 77 SER N N 114.346 . . 746 417 78 HIS H H 8.126 . . 747 417 78 HIS HA H 4.154 . . 748 417 78 HIS HB2 H 3.224 . . 749 417 78 HIS HB3 H 3.635 . . 750 417 78 HIS HD2 H 6.677 . . 751 417 78 HIS HE1 H 8.039 . . 752 417 78 HIS CA C 60.553 . . 753 417 78 HIS CB C 28.065 . . 754 417 78 HIS CD2 C 127.372 . . 755 417 78 HIS CE1 C 138.662 . . 756 417 78 HIS N N 118.878 . . 757 418 79 TRP H H 8.417 . . 758 418 79 TRP HA H 4.451 . . 759 418 79 TRP HB2 H 3.446 . . 760 418 79 TRP HB3 H 3.532 . . 761 418 79 TRP HD1 H 7.042 . . 762 418 79 TRP HE1 H 10.195 . . 763 418 79 TRP HE3 H 8.244 . . 764 418 79 TRP HH2 H 6.985 . . 765 418 79 TRP HZ2 H 7.405 . . 766 418 79 TRP HZ3 H 7.131 . . 767 418 79 TRP CA C 59.862 . . 768 418 79 TRP CB C 30.369 . . 769 418 79 TRP CD1 C 125.759 . . 770 418 79 TRP CE3 C 122.533 . . 771 418 79 TRP CH2 C 123.686 . . 772 418 79 TRP CZ2 C 114.009 . . 773 418 79 TRP CZ3 C 121.151 . . 774 418 79 TRP N N 119.255 . . 775 418 79 TRP NE1 N 129.263 . . 776 419 80 LYS H H 8.412 . . 777 419 80 LYS HA H 3.714 . . 778 419 80 LYS HB2 H 1.842 . . 779 419 80 LYS HB3 H 1.842 . . 780 419 80 LYS HD2 H 1.660 . . 781 419 80 LYS HD3 H 1.699 . . 782 419 80 LYS HE2 H 2.965 . . 783 419 80 LYS HE3 H 2.965 . . 784 419 80 LYS HG2 H 1.499 . . 785 419 80 LYS HG3 H 1.708 . . 786 419 80 LYS CA C 58.710 . . 787 419 80 LYS CB C 32.673 . . 788 419 80 LYS CD C 29.217 . . 789 419 80 LYS CE C 41.889 . . 790 419 80 LYS CG C 25.761 . . 791 419 80 LYS N N 115.101 . . 792 420 81 ASN H H 7.416 . . 793 420 81 ASN HA H 4.713 . . 794 420 81 ASN HB2 H 2.670 . . 795 420 81 ASN HB3 H 2.747 . . 796 420 81 ASN HD21 H 6.928 . . 797 420 81 ASN HD22 H 7.721 . . 798 420 81 ASN CA C 53.410 . . 799 420 81 ASN CB C 40.737 . . 800 420 81 ASN N N 113.968 . . 801 420 81 ASN ND2 N 114.346 . . 802 421 82 CYS H H 7.617 . . 803 421 82 CYS HA H 3.986 . . 804 421 82 CYS HB2 H 2.040 . . 805 421 82 CYS HB3 H 2.785 . . 806 421 82 CYS CA C 61.244 . . 807 421 82 CYS CB C 28.756 . . 808 421 82 CYS N N 124.354 . . 809 422 83 THR H H 8.535 . . 810 422 83 THR HA H 4.527 . . 811 422 83 THR HB H 4.548 . . 812 422 83 THR HG2 H 1.145 . . 813 422 83 THR CA C 60.553 . . 814 422 83 THR CB C 69.309 . . 815 422 83 THR CG2 C 21.153 . . 816 422 83 THR N N 118.500 . . 817 423 84 ARG HA H 4.448 . . 818 423 84 ARG HB2 H 1.926 . . 819 423 84 ARG HB3 H 1.993 . . 820 423 84 ARG HD2 H 3.188 . . 821 423 84 ARG HD3 H 3.439 . . 822 423 84 ARG HG2 H 1.697 . . 823 423 84 ARG HG3 H 1.928 . . 824 423 84 ARG CA C 56.175 . . 825 423 84 ARG CB C 31.521 . . 826 423 84 ARG CD C 43.963 . . 827 423 84 ARG CG C 26.913 . . 828 424 85 HIS HA H 4.391 . . 829 424 85 HIS HB2 H 3.207 . . 830 424 85 HIS HB3 H 3.207 . . 831 424 85 HIS HD2 H 7.116 . . 832 424 85 HIS HE1 H 7.905 . . 833 424 85 HIS CA C 58.479 . . 834 424 85 HIS CB C 30.138 . . 835 424 85 HIS CD2 C 118.847 . . 836 424 85 HIS CE1 C 137.510 . . 837 425 86 ASP H H 7.962 . . 838 425 86 ASP HA H 4.525 . . 839 425 86 ASP HB2 H 2.176 . . 840 425 86 ASP HB3 H 2.853 . . 841 425 86 ASP CA C 51.567 . . 842 425 86 ASP CB C 39.585 . . 843 425 86 ASP N N 116.612 . . 844 426 87 CYS H H 6.974 . . 845 426 87 CYS HA H 4.247 . . 846 426 87 CYS HB2 H 2.970 . . 847 426 87 CYS HB3 H 2.970 . . 848 426 87 CYS CA C 57.558 . . 849 426 87 CYS CB C 31.291 . . 850 426 87 CYS N N 122.276 . . 851 427 88 PRO HA H 4.445 . . 852 427 88 PRO HB2 H 1.864 . . 853 427 88 PRO HB3 H 2.232 . . 854 427 88 PRO HD2 H 3.947 . . 855 427 88 PRO HD3 H 4.079 . . 856 427 88 PRO CA C 64.009 . . 857 427 88 PRO CB C 32.558 . . 858 427 88 PRO CD C 50.876 . . 859 428 89 VAL H H 8.460 . . 860 428 89 VAL HA H 3.719 . . 861 428 89 VAL HB H 2.141 . . 862 428 89 VAL HG1 H 0.866 . . 863 428 89 VAL HG2 H 0.769 . . 864 428 89 VAL CA C 65.622 . . 865 428 89 VAL CB C 33.134 . . 866 428 89 VAL CG1 C 21.384 . . 867 428 89 VAL CG2 C 22.996 . . 868 428 89 VAL N N 119.822 . . 869 429 90 CYS H H 8.729 . . 870 429 90 CYS HA H 4.225 . . 871 429 90 CYS HB2 H 2.991 . . 872 429 90 CYS HB3 H 3.129 . . 873 429 90 CYS CA C 63.779 . . 874 429 90 CYS CB C 31.291 . . 875 429 90 CYS N N 118.878 . . 876 430 91 LEU H H 7.907 . . 877 430 91 LEU HA H 4.214 . . 878 430 91 LEU HB2 H 1.796 . . 879 430 91 LEU HB3 H 1.870 . . 880 430 91 LEU HD1 H 0.900 . . 881 430 91 LEU HD2 H 0.931 . . 882 430 91 LEU HG H 1.623 . . 883 430 91 LEU CA C 60.323 . . 884 430 91 LEU CB C 39.125 . . 885 430 91 LEU CD1 C 25.301 . . 886 430 91 LEU CD2 C 24.148 . . 887 430 91 LEU CG C 27.604 . . 888 430 91 LEU N N 118.878 . . 889 431 92 PRO HA H 4.460 . . 890 431 92 PRO HB2 H 1.615 . . 891 431 92 PRO HB3 H 2.415 . . 892 431 92 PRO HD2 H 3.434 . . 893 431 92 PRO HD3 H 3.659 . . 894 431 92 PRO HG2 H 1.881 . . 895 431 92 PRO HG3 H 2.011 . . 896 431 92 PRO CA C 65.161 . . 897 431 92 PRO CB C 31.291 . . 898 431 92 PRO CD C 49.723 . . 899 431 92 PRO CG C 28.526 . . 900 432 93 LEU H H 7.459 . . 901 432 93 LEU HA H 4.359 . . 902 432 93 LEU HB2 H 1.787 . . 903 432 93 LEU HB3 H 2.175 . . 904 432 93 LEU HD1 H 0.865 . . 905 432 93 LEU HD2 H 0.731 . . 906 432 93 LEU HG H 1.693 . . 907 432 93 LEU CA C 55.945 . . 908 432 93 LEU CB C 42.350 . . 909 432 93 LEU CD1 C 25.991 . . 910 432 93 LEU CD2 C 24.148 . . 911 432 93 LEU CG C 28.526 . . 912 432 93 LEU N N 115.290 . . 913 433 94 LYS H H 7.975 . . 914 433 94 LYS HA H 4.390 . . 915 433 94 LYS HB2 H 1.869 . . 916 433 94 LYS HB3 H 1.931 . . 917 433 94 LYS HD2 H 1.526 . . 918 433 94 LYS HD3 H 1.568 . . 919 433 94 LYS HE2 H 2.569 . . 920 433 94 LYS HE3 H 2.679 . . 921 433 94 LYS HG3 H 1.620 . . 922 433 94 LYS CA C 57.558 . . 923 433 94 LYS CB C 33.134 . . 924 433 94 LYS CD C 29.217 . . 925 433 94 LYS CE C 42.120 . . 926 433 94 LYS CG C 25.991 . . 927 433 94 LYS N N 119.255 . . 928 434 95 ASN H H 8.368 . . 929 434 95 ASN HA H 4.733 . . 930 434 95 ASN HB2 H 2.779 . . 931 434 95 ASN HB3 H 2.885 . . 932 434 95 ASN HD21 H 6.886 . . 933 434 95 ASN HD22 H 7.602 . . 934 434 95 ASN CA C 53.410 . . 935 434 95 ASN CB C 38.894 . . 936 434 95 ASN N N 117.934 . . 937 434 95 ASN ND2 N 111.702 . . 938 435 96 ALA H H 8.040 . . 939 435 96 ALA HA H 4.376 . . 940 435 96 ALA HB H 1.479 . . 941 435 96 ALA CA C 52.949 . . 942 435 96 ALA CB C 19.310 . . 943 435 96 ALA N N 123.221 . . 944 436 97 SER H H 8.138 . . 945 436 97 SER HA H 4.450 . . 946 436 97 SER HB2 H 3.918 . . 947 436 97 SER HB3 H 3.993 . . 948 436 97 SER CA C 58.710 . . 949 436 97 SER CB C 63.779 . . 950 436 97 SER N N 113.591 . . 951 437 98 ASP H H 8.214 . . 952 437 98 ASP HA H 4.662 . . 953 437 98 ASP HB2 H 2.708 . . 954 437 98 ASP HB3 H 2.744 . . 955 437 98 ASP CA C 54.332 . . 956 437 98 ASP CB C 41.198 . . 957 437 98 ASP N N 121.521 . . 958 438 99 LYS H H 8.062 . . 959 438 99 LYS HA H 4.363 . . 960 438 99 LYS HB2 H 1.776 . . 961 438 99 LYS HB3 H 1.902 . . 962 438 99 LYS HD2 H 1.689 . . 963 438 99 LYS HD3 H 1.689 . . 964 438 99 LYS HE2 H 3.014 . . 965 438 99 LYS HE3 H 3.014 . . 966 438 99 LYS HG2 H 1.428 . . 967 438 99 LYS HG3 H 1.478 . . 968 438 99 LYS CA C 55.945 . . 969 438 99 LYS CB C 32.720 . . 970 438 99 LYS CD C 28.986 . . 971 438 99 LYS CE C 42.396 . . 972 438 99 LYS CG C 24.609 . . 973 438 99 LYS N N 121.144 . . 974 439 100 ARG H H 7.926 . . 975 439 100 ARG HA H 4.201 . . 976 439 100 ARG HB2 H 1.742 . . 977 439 100 ARG HB3 H 1.880 . . 978 439 100 ARG HD2 H 3.198 . . 979 439 100 ARG HD3 H 3.198 . . 980 439 100 ARG HG2 H 1.610 . . 981 439 100 ARG HG3 H 1.610 . . 982 439 100 ARG CA C 57.407 . . 983 439 100 ARG CB C 31.573 . . 984 439 100 ARG CD C 43.502 . . 985 439 100 ARG CG C 27.374 . . 986 439 100 ARG N N 127.375 . . 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 STAT2 _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 1 782 1 GLY HA2 H 3.908 . . 2 782 1 GLY HA3 H 3.908 . . 3 782 1 GLY CA C 43.081 . . 4 783 2 SER HA H 4.524 . . 5 783 2 SER HB2 H 3.873 . . 6 783 2 SER HB3 H 3.873 . . 7 783 2 SER CA C 58.053 . . 8 783 2 SER CB C 64.502 . . 9 784 3 HIS HA H 4.721 . . 10 784 3 HIS HB2 H 3.128 . . 11 784 3 HIS HB3 H 3.215 . . 12 784 3 HIS HD2 H 7.129 . . 13 784 3 HIS HE1 H 8.111 . . 14 784 3 HIS CA C 55.750 . . 15 784 3 HIS CB C 30.167 . . 16 784 3 HIS CD2 C 119.133 . . 17 784 3 HIS CE1 C 136.597 . . 18 785 4 MET HA H 4.495 . . 19 785 4 MET HB2 H 1.979 . . 20 785 4 MET HB3 H 2.055 . . 21 785 4 MET HE H 2.117 . . 22 785 4 MET HG2 H 2.478 . . 23 785 4 MET HG3 H 2.547 . . 24 785 4 MET CA C 55.058 . . 25 785 4 MET CB C 32.727 . . 26 785 4 MET CE C 16.823 . . 27 785 4 MET CG C 31.821 . . 28 786 5 VAL H H 8.163 . . 29 786 5 VAL HA H 4.464 . . 30 786 5 VAL HB H 2.115 . . 31 786 5 VAL HG1 H 0.961 . . 32 786 5 VAL HG2 H 1.012 . . 33 786 5 VAL CA C 59.478 . . 34 786 5 VAL CB C 32.606 . . 35 786 5 VAL CG1 C 20.047 . . 36 786 5 VAL CG2 C 20.935 . . 37 786 5 VAL N N 122.854 . . 38 787 6 PRO HA H 4.437 . . 39 787 6 PRO HB2 H 1.888 . . 40 787 6 PRO HB3 H 2.292 . . 41 787 6 PRO HD2 H 3.726 . . 42 787 6 PRO HD3 H 3.886 . . 43 787 6 PRO CA C 62.667 . . 44 787 6 PRO CB C 32.010 . . 45 787 6 PRO CD C 50.868 . . 46 788 7 GLU H H 8.306 . . 47 788 7 GLU HA H 4.654 . . 48 788 7 GLU HB2 H 1.951 . . 49 788 7 GLU HB3 H 2.013 . . 50 788 7 GLU HG2 H 2.158 . . 51 788 7 GLU HG3 H 2.516 . . 52 788 7 GLU CA C 53.568 . . 53 788 7 GLU CB C 30.011 . . 54 788 7 GLU CG C 34.765 . . 55 788 7 GLU N N 123.231 . . 56 789 8 PRO HA H 4.490 . . 57 789 8 PRO HB2 H 1.811 . . 58 789 8 PRO HB3 H 2.358 . . 59 789 8 PRO HD2 H 3.568 . . 60 789 8 PRO HD3 H 3.948 . . 61 789 8 PRO HG2 H 1.978 . . 62 789 8 PRO HG3 H 2.037 . . 63 789 8 PRO CA C 62.253 . . 64 789 8 PRO CB C 32.483 . . 65 789 8 PRO CD C 50.730 . . 66 789 8 PRO CG C 27.188 . . 67 790 9 ASP H H 8.272 . . 68 790 9 ASP HA H 4.456 . . 69 790 9 ASP HB2 H 2.481 . . 70 790 9 ASP HB3 H 2.572 . . 71 790 9 ASP CA C 54.137 . . 72 790 9 ASP CB C 41.016 . . 73 790 9 ASP N N 118.511 . . 74 791 10 LEU H H 8.463 . . 75 791 10 LEU HA H 4.356 . . 76 791 10 LEU HB2 H 1.259 . . 77 791 10 LEU HB3 H 1.587 . . 78 791 10 LEU HD1 H 0.808 . . 79 791 10 LEU HD2 H 0.737 . . 80 791 10 LEU HG H 1.780 . . 81 791 10 LEU CA C 52.531 . . 82 791 10 LEU CB C 42.609 . . 83 791 10 LEU CD1 C 25.575 . . 84 791 10 LEU CD2 C 24.629 . . 85 791 10 LEU CG C 26.497 . . 86 791 10 LEU N N 121.343 . . 87 792 11 PRO HA H 4.553 . . 88 792 11 PRO HB2 H 1.947 . . 89 792 11 PRO HB3 H 2.709 . . 90 792 11 PRO HD2 H 3.315 . . 91 792 11 PRO HD3 H 3.852 . . 92 792 11 PRO HG2 H 2.006 . . 93 792 11 PRO HG3 H 2.268 . . 94 792 11 PRO CA C 62.788 . . 95 792 11 PRO CB C 32.716 . . 96 792 11 PRO CD C 50.238 . . 97 792 11 PRO CG C 28.800 . . 98 793 12 HIS HA H 3.989 . . 99 793 12 HIS HB2 H 3.233 . . 100 793 12 HIS HB3 H 3.233 . . 101 793 12 HIS HD2 H 7.177 . . 102 793 12 HIS HE1 H 7.866 . . 103 793 12 HIS CA C 60.326 . . 104 793 12 HIS CB C 30.803 . . 105 793 12 HIS CD2 C 118.275 . . 106 793 12 HIS CE1 C 137.519 . . 107 794 13 ASP H H 8.938 . . 108 794 13 ASP HA H 4.460 . . 109 794 13 ASP HB2 H 2.630 . . 110 794 13 ASP HB3 H 2.926 . . 111 794 13 ASP CA C 54.581 . . 112 794 13 ASP CB C 38.061 . . 113 794 13 ASP N N 114.734 . . 114 795 14 LEU H H 7.674 . . 115 795 14 LEU HA H 4.546 . . 116 795 14 LEU HB2 H 1.429 . . 117 795 14 LEU HB3 H 1.582 . . 118 795 14 LEU HD1 H 0.317 . . 119 795 14 LEU HD2 H 0.744 . . 120 795 14 LEU HG H 1.408 . . 121 795 14 LEU CA C 53.478 . . 122 795 14 LEU CB C 43.597 . . 123 795 14 LEU CD1 C 25.575 . . 124 795 14 LEU CD2 C 22.957 . . 125 795 14 LEU CG C 25.806 . . 126 795 14 LEU N N 116.056 . . 127 796 15 ARG H H 7.225 . . 128 796 15 ARG HA H 3.809 . . 129 796 15 ARG HB2 H 1.658 . . 130 796 15 ARG HB3 H 1.709 . . 131 796 15 ARG HD2 H 3.094 . . 132 796 15 ARG HD3 H 3.189 . . 133 796 15 ARG HG2 H 1.552 . . 134 796 15 ARG HG3 H 1.552 . . 135 796 15 ARG CA C 58.744 . . 136 796 15 ARG CB C 30.413 . . 137 796 15 ARG CD C 43.311 . . 138 796 15 ARG CG C 27.062 . . 139 796 15 ARG N N 116.434 . . 140 797 16 HIS HA H 4.703 . . 141 797 16 HIS HB2 H 3.071 . . 142 797 16 HIS HB3 H 3.220 . . 143 797 16 HIS HD2 H 7.048 . . 144 797 16 HIS HE1 H 7.911 . . 145 797 16 HIS CA C 55.289 . . 146 797 16 HIS CB C 29.538 . . 147 797 16 HIS CD2 C 118.862 . . 148 797 16 HIS CE1 C 137.288 . . 149 798 17 LEU H H 6.982 . . 150 798 17 LEU HA H 4.071 . . 151 798 17 LEU HB2 H 1.184 . . 152 798 17 LEU HB3 H 1.577 . . 153 798 17 LEU HD1 H 0.837 . . 154 798 17 LEU HD2 H 0.763 . . 155 798 17 LEU HG H 1.481 . . 156 798 17 LEU CA C 54.807 . . 157 798 17 LEU CB C 42.206 . . 158 798 17 LEU CD1 C 26.036 . . 159 798 17 LEU CD2 C 23.963 . . 160 798 17 LEU CG C 26.727 . . 161 798 17 LEU N N 120.399 . . 162 799 18 ASN H H 8.789 . . 163 799 18 ASN HA H 4.857 . . 164 799 18 ASN HB2 H 2.931 . . 165 799 18 ASN HB3 H 3.003 . . 166 799 18 ASN HD21 H 7.250 . . 167 799 18 ASN HD22 H 7.660 . . 168 799 18 ASN CA C 52.166 . . 169 799 18 ASN CB C 37.842 . . 170 799 18 ASN N N 121.343 . . 171 799 18 ASN ND2 N 111.335 . . 172 800 19 THR H H 8.585 . . 173 800 19 THR HA H 4.522 . . 174 800 19 THR HB H 4.556 . . 175 800 19 THR HG2 H 1.238 . . 176 800 19 THR CA C 62.143 . . 177 800 19 THR CB C 68.865 . . 178 800 19 THR CG2 C 21.199 . . 179 800 19 THR N N 115.301 . . 180 801 20 GLU H H 8.415 . . 181 801 20 GLU HA H 4.337 . . 182 801 20 GLU HB2 H 2.185 . . 183 801 20 GLU HB3 H 2.185 . . 184 801 20 GLU HG2 H 2.319 . . 185 801 20 GLU HG3 H 2.445 . . 186 801 20 GLU CA C 61.496 . . 187 801 20 GLU CB C 26.493 . . 188 801 20 GLU CG C 36.401 . . 189 801 20 GLU N N 125.119 . . 190 802 21 PRO HA H 4.422 . . 191 802 21 PRO HB2 H 1.812 . . 192 802 21 PRO HB3 H 2.347 . . 193 802 21 PRO HD2 H 3.464 . . 194 802 21 PRO HD3 H 3.726 . . 195 802 21 PRO HG2 H 1.935 . . 196 802 21 PRO HG3 H 2.034 . . 197 802 21 PRO CA C 64.520 . . 198 802 21 PRO CB C 31.355 . . 199 802 21 PRO CD C 50.452 . . 200 802 21 PRO CG C 28.098 . . 201 803 22 MET H H 7.303 . . 202 803 22 MET HA H 4.062 . . 203 803 22 MET HB2 H 2.372 . . 204 803 22 MET HB3 H 2.372 . . 205 803 22 MET HE H 2.054 . . 206 803 22 MET HG2 H 2.580 . . 207 803 22 MET HG3 H 3.317 . . 208 803 22 MET CA C 55.686 . . 209 803 22 MET CB C 33.481 . . 210 803 22 MET CE C 17.514 . . 211 803 22 MET CG C 33.251 . . 212 803 22 MET N N 110.769 . . 213 804 23 GLU H H 7.624 . . 214 804 23 GLU HA H 3.918 . . 215 804 23 GLU HB2 H 2.084 . . 216 804 23 GLU HB3 H 2.084 . . 217 804 23 GLU HG2 H 2.385 . . 218 804 23 GLU HG3 H 2.563 . . 219 804 23 GLU CA C 59.221 . . 220 804 23 GLU CB C 28.993 . . 221 804 23 GLU CG C 35.950 . . 222 804 23 GLU N N 118.699 . . 223 805 24 ILE H H 6.626 . . 224 805 24 ILE HA H 3.999 . . 225 805 24 ILE HB H 1.626 . . 226 805 24 ILE HD1 H 0.529 . . 227 805 24 ILE HG12 H 0.221 . . 228 805 24 ILE HG13 H 0.661 . . 229 805 24 ILE HG2 H 0.602 . . 230 805 24 ILE CA C 62.734 . . 231 805 24 ILE CB C 37.574 . . 232 805 24 ILE CD1 C 14.078 . . 233 805 24 ILE CG1 C 24.884 . . 234 805 24 ILE CG2 C 17.119 . . 235 805 24 ILE N N 111.524 . . 236 806 25 PHE H H 7.515 . . 237 806 25 PHE HA H 4.524 . . 238 806 25 PHE HB2 H 2.863 . . 239 806 25 PHE HB3 H 3.197 . . 240 806 25 PHE HD1 H 6.655 . . 241 806 25 PHE HD2 H 6.655 . . 242 806 25 PHE HE1 H 5.971 . . 243 806 25 PHE HE2 H 5.971 . . 244 806 25 PHE CA C 55.760 . . 245 806 25 PHE CB C 38.464 . . 246 806 25 PHE CD1 C 129.687 . . 247 806 25 PHE CE1 C 128.043 . . 248 806 25 PHE N N 118.322 . . 249 807 26 ARG H H 7.368 . . 250 807 26 ARG HA H 4.024 . . 251 807 26 ARG HB2 H 1.805 . . 252 807 26 ARG HB3 H 1.977 . . 253 807 26 ARG HD2 H 3.193 . . 254 807 26 ARG HD3 H 3.405 . . 255 807 26 ARG HG2 H 1.562 . . 256 807 26 ARG HG3 H 1.695 . . 257 807 26 ARG CA C 58.864 . . 258 807 26 ARG CB C 30.872 . . 259 807 26 ARG CD C 42.851 . . 260 807 26 ARG CG C 27.009 . . 261 807 26 ARG N N 118.888 . . 262 808 27 ASN H H 8.877 . . 263 808 27 ASN HA H 4.732 . . 264 808 27 ASN HB2 H 2.807 . . 265 808 27 ASN HB3 H 3.072 . . 266 808 27 ASN HD21 H 6.982 . . 267 808 27 ASN HD22 H 7.667 . . 268 808 27 ASN CA C 53.413 . . 269 808 27 ASN CB C 38.244 . . 270 808 27 ASN N N 117.000 . . 271 808 27 ASN ND2 N 113.035 . . 272 809 28 SER H H 7.969 . . 273 809 28 SER HA H 4.440 . . 274 809 28 SER HB2 H 3.953 . . 275 809 28 SER HB3 H 4.172 . . 276 809 28 SER CA C 60.606 . . 277 809 28 SER CB C 64.021 . . 278 809 28 SER N N 114.356 . . 279 810 29 VAL HA H 4.304 . . 280 810 29 VAL HB H 1.992 . . 281 810 29 VAL HG1 H 0.822 . . 282 810 29 VAL HG2 H 0.878 . . 283 810 29 VAL CA C 60.803 . . 284 810 29 VAL CB C 34.232 . . 285 810 29 VAL CG1 C 21.199 . . 286 810 29 VAL CG2 C 20.969 . . 287 811 30 LYS H H 8.707 . . 288 811 30 LYS HA H 4.552 . . 289 811 30 LYS HB2 H 1.725 . . 290 811 30 LYS HB3 H 1.844 . . 291 811 30 LYS HD2 H 1.689 . . 292 811 30 LYS HD3 H 1.689 . . 293 811 30 LYS HE2 H 2.989 . . 294 811 30 LYS HE3 H 2.989 . . 295 811 30 LYS HG2 H 1.372 . . 296 811 30 LYS HG3 H 1.464 . . 297 811 30 LYS CA C 55.058 . . 298 811 30 LYS CB C 31.782 . . 299 811 30 LYS CD C 28.814 . . 300 811 30 LYS CE C 41.699 . . 301 811 30 LYS CG C 24.677 . . 302 811 30 LYS N N 127.196 . . 303 812 31 ILE H H 8.604 . . 304 812 31 ILE HA H 3.662 . . 305 812 31 ILE HB H 1.843 . . 306 812 31 ILE HD1 H 0.805 . . 307 812 31 ILE HG12 H 1.146 . . 308 812 31 ILE HG13 H 1.588 . . 309 812 31 ILE HG2 H 0.863 . . 310 812 31 ILE CA C 64.066 . . 311 812 31 ILE CB C 37.726 . . 312 812 31 ILE CD1 C 13.137 . . 313 812 31 ILE CG1 C 28.132 . . 314 812 31 ILE CG2 C 17.618 . . 315 812 31 ILE N N 125.497 . . 316 813 32 GLU H H 9.330 . . 317 813 32 GLU HA H 4.162 . . 318 813 32 GLU HB2 H 2.005 . . 319 813 32 GLU HB3 H 2.106 . . 320 813 32 GLU HG2 H 2.339 . . 321 813 32 GLU HG3 H 2.339 . . 322 813 32 GLU CA C 58.096 . . 323 813 32 GLU CB C 28.834 . . 324 813 32 GLU CG C 36.281 . . 325 813 32 GLU N N 118.888 . . 326 814 33 GLU H H 7.742 . . 327 814 33 GLU HA H 4.334 . . 328 814 33 GLU HB2 H 2.040 . . 329 814 33 GLU HB3 H 2.153 . . 330 814 33 GLU HG2 H 2.258 . . 331 814 33 GLU HG3 H 2.258 . . 332 814 33 GLU CA C 56.441 . . 333 814 33 GLU CB C 30.396 . . 334 814 33 GLU CG C 36.632 . . 335 814 33 GLU N N 117.566 . . 336 815 34 ILE H H 7.598 . . 337 815 34 ILE HA H 4.216 . . 338 815 34 ILE HB H 1.821 . . 339 815 34 ILE HD1 H 0.766 . . 340 815 34 ILE HG12 H 1.208 . . 341 815 34 ILE HG13 H 1.462 . . 342 815 34 ILE HG2 H 0.862 . . 343 815 34 ILE CA C 61.047 . . 344 815 34 ILE CB C 38.712 . . 345 815 34 ILE CD1 C 13.368 . . 346 815 34 ILE CG1 C 27.403 . . 347 815 34 ILE CG2 C 17.994 . . 348 815 34 ILE N N 117.566 . . 349 816 35 MET H H 8.177 . . 350 816 35 MET HA H 4.733 . . 351 816 35 MET HB2 H 2.648 . . 352 816 35 MET HB3 H 2.648 . . 353 816 35 MET HE H 2.113 . . 354 816 35 MET HG2 H 1.991 . . 355 816 35 MET HG3 H 2.100 . . 356 816 35 MET CA C 53.461 . . 357 816 35 MET CB C 32.025 . . 358 816 35 MET CE C 17.283 . . 359 816 35 MET CG C 32.042 . . 360 816 35 MET N N 122.665 . . 361 817 36 PRO HA H 4.743 . . 362 817 36 PRO HB2 H 2.085 . . 363 817 36 PRO HB3 H 2.430 . . 364 817 36 PRO HD2 H 3.536 . . 365 817 36 PRO HD3 H 3.599 . . 366 817 36 PRO HG2 H 1.820 . . 367 817 36 PRO HG3 H 1.958 . . 368 817 36 PRO CA C 62.542 . . 369 817 36 PRO CB C 34.328 . . 370 817 36 PRO CD C 49.979 . . 371 817 36 PRO CG C 24.694 . . 372 818 37 ASN H H 8.374 . . 373 818 37 ASN HA H 4.752 . . 374 818 37 ASN HB2 H 2.869 . . 375 818 37 ASN HB3 H 2.869 . . 376 818 37 ASN CA C 52.995 . . 377 818 37 ASN CB C 38.705 . . 378 818 37 ASN N N 117.378 . . 379 819 38 GLY H H 8.314 . . 380 819 38 GLY HA2 H 3.937 . . 381 819 38 GLY HA3 H 3.994 . . 382 819 38 GLY CA C 45.006 . . 383 819 38 GLY N N 108.881 . . 384 820 39 ASP H H 8.157 . . 385 820 39 ASP HA H 4.939 . . 386 820 39 ASP HB2 H 2.648 . . 387 820 39 ASP HB3 H 2.827 . . 388 820 39 ASP CA C 51.896 . . 389 820 39 ASP CB C 41.672 . . 390 820 39 ASP N N 121.154 . . 391 821 40 PRO HA H 4.483 . . 392 821 40 PRO HB2 H 1.952 . . 393 821 40 PRO HB3 H 2.328 . . 394 821 40 PRO HD2 H 3.887 . . 395 821 40 PRO HD3 H 3.984 . . 396 821 40 PRO HG2 H 2.025 . . 397 821 40 PRO HG3 H 2.054 . . 398 821 40 PRO CA C 63.351 . . 399 821 40 PRO CB C 32.066 . . 400 821 40 PRO CD C 50.625 . . 401 821 40 PRO CG C 27.229 . . 402 822 41 LEU H H 8.440 . . 403 822 41 LEU HA H 4.262 . . 404 822 41 LEU HB2 H 1.590 . . 405 822 41 LEU HB3 H 1.769 . . 406 822 41 LEU HD1 H 0.906 . . 407 822 41 LEU HD2 H 0.796 . . 408 822 41 LEU HG H 1.610 . . 409 822 41 LEU CA C 55.539 . . 410 822 41 LEU CB C 41.496 . . 411 822 41 LEU CD1 C 24.968 . . 412 822 41 LEU CD2 C 23.408 . . 413 822 41 LEU CG C 26.983 . . 414 822 41 LEU N N 119.644 . . 415 823 42 LEU H H 7.863 . . 416 823 42 LEU HA H 4.353 . . 417 823 42 LEU HB2 H 1.652 . . 418 823 42 LEU HB3 H 1.698 . . 419 823 42 LEU HD1 H 0.935 . . 420 823 42 LEU HD2 H 0.846 . . 421 823 42 LEU HG H 1.609 . . 422 823 42 LEU CA C 54.598 . . 423 823 42 LEU CB C 42.025 . . 424 823 42 LEU CD1 C 25.137 . . 425 823 42 LEU CD2 C 23.387 . . 426 823 42 LEU CG C 26.932 . . 427 823 42 LEU N N 120.399 . . 428 824 43 ALA H H 8.022 . . 429 824 43 ALA HA H 4.330 . . 430 824 43 ALA HB H 1.424 . . 431 824 43 ALA CA C 52.539 . . 432 824 43 ALA CB C 19.126 . . 433 824 43 ALA N N 123.420 . . 434 825 44 GLY H H 8.346 . . 435 825 44 GLY HA2 H 3.973 . . 436 825 44 GLY HA3 H 3.973 . . 437 825 44 GLY CA C 45.123 . . 438 825 44 GLY N N 107.559 . . 439 826 45 GLN H H 8.204 . . 440 826 45 GLN HA H 4.377 . . 441 826 45 GLN HB2 H 2.022 . . 442 826 45 GLN HB3 H 2.152 . . 443 826 45 GLN HE21 H 6.843 . . 444 826 45 GLN HE22 H 7.514 . . 445 826 45 GLN HG2 H 2.352 . . 446 826 45 GLN HG3 H 2.352 . . 447 826 45 GLN CA C 55.686 . . 448 826 45 GLN CB C 29.376 . . 449 826 45 GLN CG C 33.666 . . 450 826 45 GLN N N 119.266 . . 451 826 45 GLN NE2 N 111.902 . . 452 827 46 ASN H H 8.556 . . 453 827 46 ASN HA H 4.824 . . 454 827 46 ASN HB2 H 2.811 . . 455 827 46 ASN HB3 H 2.889 . . 456 827 46 ASN HD21 H 6.935 . . 457 827 46 ASN HD22 H 7.610 . . 458 827 46 ASN CA C 53.216 . . 459 827 46 ASN CB C 38.759 . . 460 827 46 ASN N N 119.266 . . 461 827 46 ASN ND2 N 112.279 . . 462 828 47 THR H H 8.127 . . 463 828 47 THR HA H 4.414 . . 464 828 47 THR HB H 4.283 . . 465 828 47 THR HG2 H 1.215 . . 466 828 47 THR CA C 61.564 . . 467 828 47 THR CB C 69.507 . . 468 828 47 THR CG2 C 21.660 . . 469 828 47 THR N N 113.790 . . 470 829 48 VAL H H 8.140 . . 471 829 48 VAL HA H 4.091 . . 472 829 48 VAL HB H 2.111 . . 473 829 48 VAL HG1 H 0.922 . . 474 829 48 VAL HG2 H 0.922 . . 475 829 48 VAL CA C 62.146 . . 476 829 48 VAL CB C 32.515 . . 477 829 48 VAL CG1 C 20.508 . . 478 829 48 VAL CG2 C 21.199 . . 479 829 48 VAL N N 120.776 . . 480 830 49 ASP H H 8.287 . . 481 830 49 ASP HA H 4.617 . . 482 830 49 ASP HB2 H 2.616 . . 483 830 49 ASP HB3 H 2.728 . . 484 830 49 ASP CA C 54.308 . . 485 830 49 ASP CB C 41.241 . . 486 830 49 ASP N N 123.042 . . 487 831 50 GLU H H 8.242 . . 488 831 50 GLU HA H 4.261 . . 489 831 50 GLU HB2 H 1.951 . . 490 831 50 GLU HB3 H 2.014 . . 491 831 50 GLU HG2 H 2.238 . . 492 831 50 GLU HG3 H 2.271 . . 493 831 50 GLU CA C 56.521 . . 494 831 50 GLU CB C 30.209 . . 495 831 50 GLU CG C 36.281 . . 496 831 50 GLU N N 120.776 . . 497 832 51 VAL H H 8.044 . . 498 832 51 VAL HA H 3.988 . . 499 832 51 VAL HB H 1.989 . . 500 832 51 VAL HG1 H 0.793 . . 501 832 51 VAL HG2 H 0.858 . . 502 832 51 VAL CA C 62.472 . . 503 832 51 VAL CB C 32.278 . . 504 832 51 VAL CG1 C 20.964 . . 505 832 51 VAL CG2 C 20.668 . . 506 832 51 VAL N N 120.021 . . 507 833 52 TYR H H 8.148 . . 508 833 52 TYR HA H 4.598 . . 509 833 52 TYR HB2 H 2.952 . . 510 833 52 TYR HB3 H 3.047 . . 511 833 52 TYR HD1 H 7.104 . . 512 833 52 TYR HD2 H 7.104 . . 513 833 52 TYR HE1 H 6.816 . . 514 833 52 TYR HE2 H 6.816 . . 515 833 52 TYR CA C 57.743 . . 516 833 52 TYR CB C 38.702 . . 517 833 52 TYR CD1 C 131.991 . . 518 833 52 TYR CE1 C 117.710 . . 519 833 52 TYR N N 122.854 . . 520 834 53 VAL H H 7.868 . . 521 834 53 VAL HA H 4.114 . . 522 834 53 VAL HB H 2.035 . . 523 834 53 VAL HG1 H 0.912 . . 524 834 53 VAL HG2 H 0.912 . . 525 834 53 VAL CA C 61.508 . . 526 834 53 VAL CB C 33.010 . . 527 834 53 VAL CG1 C 20.508 . . 528 834 53 VAL CG2 C 21.199 . . 529 834 53 VAL N N 121.721 . . 530 835 54 SER H H 8.237 . . 531 835 54 SER HA H 4.422 . . 532 835 54 SER HB2 H 3.847 . . 533 835 54 SER HB3 H 3.847 . . 534 835 54 SER CA C 57.823 . . 535 835 54 SER CB C 63.437 . . 536 835 54 SER N N 119.077 . . 537 836 55 ARG H H 8.284 . . 538 836 55 ARG HA H 4.701 . . 539 836 55 ARG HB2 H 1.761 . . 540 836 55 ARG HB3 H 1.884 . . 541 836 55 ARG HD2 H 3.216 . . 542 836 55 ARG HD3 H 3.216 . . 543 836 55 ARG HG2 H 1.683 . . 544 836 55 ARG HG3 H 1.683 . . 545 836 55 ARG CA C 53.601 . . 546 836 55 ARG CB C 30.394 . . 547 836 55 ARG CD C 43.155 . . 548 836 55 ARG CG C 26.728 . . 549 836 55 ARG N N 123.798 . . 550 837 56 PRO HA H 4.485 . . 551 837 56 PRO HB2 H 2.019 . . 552 837 56 PRO HB3 H 2.316 . . 553 837 56 PRO HD2 H 3.678 . . 554 837 56 PRO HD3 H 3.810 . . 555 837 56 PRO HG2 H 1.993 . . 556 837 56 PRO HG3 H 2.060 . . 557 837 56 PRO CA C 63.351 . . 558 837 56 PRO CB C 31.795 . . 559 837 56 PRO CD C 50.452 . . 560 837 56 PRO CG C 27.188 . . 561 838 57 SER H H 7.967 . . 562 838 57 SER HA H 4.272 . . 563 838 57 SER HB2 H 3.874 . . 564 838 57 SER HB3 H 3.874 . . 565 838 57 SER CA C 59.680 . . 566 838 57 SER CB C 64.584 . . 567 838 57 SER N N 121.343 . . stop_ save_