data_5788 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural basis for negative regulation of hypoxia-inducible factor-1alpha by CITED2 ; _BMRB_accession_number 5788 _BMRB_flat_file_name bmr5788.str _Entry_type original _Submission_date 2003-04-29 _Accession_date 2003-04-29 _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 Freedman Steven J. . 2 Sun Zhen-Yu J. . 3 Kung Andrew L. . 4 France Dennis S. . 5 Wagner Gerhard . . 6 Eck Michael J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 699 "13C chemical shifts" 546 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-01 original author . stop_ _Original_release_date 2003-08-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Basis for Negative Regulation of Hypoxia-inducible Factor-1alpha by CITED2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22708832 _PubMed_ID 12778114 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Freedman Steven J. . 2 Sun Zhen-Yu J. . 3 Kung Andrew L. . 4 France Dennis S. . 5 Wagner Gerhard . . 6 Eck Michael J. . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume 10 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 504 _Page_last 512 _Year 2003 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Freedman SJ, Sun ZY, Poy F, Kung AL, Livingston DM, Wagner G, Eck MJ. Proc Natl Acad Sci U S A. 2002 Apr 16;99(8):5367-72. ; _Citation_title 'Structural basis for recruitment of CBP/p300 by hypoxia-inducible factor-1 alpha.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11959990 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Freedman 'Steven J' J. . 2 Sun 'Zhen-Yu J' Y. . 3 Poy Florence . . 4 Kung 'Andrew L' L. . 5 Livingston 'David M' M. . 6 Wagner Gerhard . . 7 Eck 'Michael J' J. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 99 _Journal_issue 8 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 5367 _Page_last 5372 _Year 2002 _Details ; Adaptation to hypoxia is mediated by transactivation of hypoxia-responsive genes by hypoxia-inducible factor-1 (HIF-1) in complex with the CBP and p300 transcriptional coactivators. We report the solution structure of the cysteine/histidine-rich 1 (CH1) domain of p300 bound to the C-terminal transactivation domain of HIF-1 alpha. CH1 has a triangular geometry composed of four alpha-helices with three intervening Zn(2+)-coordinating centers. CH1 serves as a scaffold for folding of the HIF-1 alpha C-terminal transactivation domain, which forms a vise-like clamp on the CH1 domain that is stabilized by extensive hydrophobic and polar interactions. The structure reveals the mechanism of specific recognition of p300 by HIF-1 alpha, and shows how HIF-1 alpha transactivation is regulated by asparagine hydroxylation. ; save_ ################################## # Molecular system description # ################################## save_system_complex _Saveframe_category molecular_system _Mol_system_name 'CBP/p300-interacting transactivators with a glutamic acid/aspartic acid (ED)-rich tail/p300 complex' _Abbreviation_common 'CITED2/p300 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CITED2 $CITED2_TAD 'p300 cysteine histidine-rich 1 domain' $p300_CH1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all other bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CITED2_TAD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CITED2 transactivation domain' _Abbreviation_common 'CITED2 TAD' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 52 _Mol_residue_sequence ; GSGSGSGSNVIDTDFIDEEV LMSLVIEMGLDRIKELPELW LGQNEFDFMTDF ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 GLY 4 SER 5 GLY 6 SER 7 GLY 8 SER 9 ASN 10 VAL 11 ILE 12 ASP 13 THR 14 ASP 15 PHE 16 ILE 17 ASP 18 GLU 19 GLU 20 VAL 21 LEU 22 MET 23 SER 24 LEU 25 VAL 26 ILE 27 GLU 28 MET 29 GLY 30 LEU 31 ASP 32 ARG 33 ILE 34 LYS 35 GLU 36 LEU 37 PRO 38 GLU 39 LEU 40 TRP 41 LEU 42 GLY 43 GLN 44 ASN 45 GLU 46 PHE 47 ASP 48 PHE 49 MET 50 THR 51 ASP 52 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 5306 CH1 100.00 101 100.00 100.00 1.59e-66 PDB 1L3E "Nmr Structures Of The Hif-1alpha CtadP300 CH1 COMPLEX" 100.00 101 100.00 100.00 1.59e-66 PDB 1P4Q "Solution Structure Of The Cited2 Transactivation Domain In Complex With The P300 Ch1 Domain" 100.00 101 100.00 100.00 1.59e-66 DBJ BAC31311 "unnamed protein product [Mus musculus]" 100.00 714 100.00 100.00 5.64e-66 DBJ BAG10860 "E1A binding protein p300 [synthetic construct]" 100.00 2414 100.00 100.00 2.33e-63 EMBL CAF93378 "unnamed protein product, partial [Tetraodon nigroviridis]" 94.06 492 98.95 100.00 2.69e-62 EMBL CAF95299 "unnamed protein product [Tetraodon nigroviridis]" 94.06 2730 98.95 100.00 1.80e-58 EMBL CAG04516 "unnamed protein product [Tetraodon nigroviridis]" 94.06 2539 98.95 100.00 2.05e-58 EMBL CBN81203 "Histone acetyltransferase p300 [Dicentrarchus labrax]" 94.06 2912 98.95 100.00 1.00e-58 EMBL CDQ80651 "unnamed protein product [Oncorhynchus mykiss]" 94.06 701 98.95 100.00 1.27e-60 GB AAA18639 "p300 protein [Homo sapiens]" 100.00 2414 100.00 100.00 2.33e-63 GB AAB31182 "p300=transcription coactivator {N-terminal} [mice, Peptide Partial, 688 aa]" 100.00 688 98.02 99.01 1.08e-64 GB AAH53889 "EP300 protein, partial [Homo sapiens]" 100.00 1553 100.00 100.00 8.39e-64 GB AAI44977 "Ep300 protein [Mus musculus]" 100.00 2415 100.00 100.00 2.38e-63 GB AAI50682 "Ep300 protein [Mus musculus]" 100.00 2415 100.00 100.00 2.38e-63 REF NP_001231599 "histone acetyltransferase p300 [Pan troglodytes]" 100.00 2411 100.00 100.00 2.33e-63 REF NP_001253415 "histone acetyltransferase p300 [Macaca mulatta]" 100.00 2414 100.00 100.00 2.65e-63 REF NP_001420 "histone acetyltransferase p300 [Homo sapiens]" 100.00 2414 100.00 100.00 2.33e-63 REF NP_808489 "histone acetyltransferase p300 [Mus musculus]" 100.00 2412 100.00 100.00 2.64e-63 REF XP_001076610 "PREDICTED: histone acetyltransferase p300 isoform X1 [Rattus norvegicus]" 100.00 2413 100.00 100.00 2.33e-63 SP B2RWS6 "RecName: Full=Histone acetyltransferase p300; Short=p300 HAT; AltName: Full=E1A-associated protein p300 [Mus musculus]" 100.00 2412 100.00 100.00 2.64e-63 SP Q09472 "RecName: Full=Histone acetyltransferase p300; Short=p300 HAT; AltName: Full=E1A-associated protein p300 [Homo sapiens]" 100.00 2414 100.00 100.00 2.33e-63 stop_ save_ save_p300_CH1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'p300 cysteine/histidine-rich 1 domain' _Abbreviation_common 'p300 CH1' _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . _Residue_count 101 _Mol_residue_sequence ; MGSGAHTADPEKRKLIQQQL VLLLHAHKCQRREQANGEVR QCNLPHCRTMKNVLNHMTHC QSGKSCQVAHCASSRQIISH WKNCTRHDCPVCLPLKNAGD K ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 GLY 5 ALA 6 HIS 7 THR 8 ALA 9 ASP 10 PRO 11 GLU 12 LYS 13 ARG 14 LYS 15 LEU 16 ILE 17 GLN 18 GLN 19 GLN 20 LEU 21 VAL 22 LEU 23 LEU 24 LEU 25 HIS 26 ALA 27 HIS 28 LYS 29 CYS 30 GLN 31 ARG 32 ARG 33 GLU 34 GLN 35 ALA 36 ASN 37 GLY 38 GLU 39 VAL 40 ARG 41 GLN 42 CYS 43 ASN 44 LEU 45 PRO 46 HIS 47 CYS 48 ARG 49 THR 50 MET 51 LYS 52 ASN 53 VAL 54 LEU 55 ASN 56 HIS 57 MET 58 THR 59 HIS 60 CYS 61 GLN 62 SER 63 GLY 64 LYS 65 SER 66 CYS 67 GLN 68 VAL 69 ALA 70 HIS 71 CYS 72 ALA 73 SER 74 SER 75 ARG 76 GLN 77 ILE 78 ILE 79 SER 80 HIS 81 TRP 82 LYS 83 ASN 84 CYS 85 THR 86 ARG 87 HIS 88 ASP 89 CYS 90 PRO 91 VAL 92 CYS 93 LEU 94 PRO 95 LEU 96 LYS 97 ASN 98 ALA 99 GLY 100 ASP 101 LYS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value SWISS-PROT Q09472 'Histone acetyltransferase p300 (E1A-associated protein p300)' 100.00 2414 100.00 100.00 5.52e-49 REF XP_001168324 'PREDICTED: hypothetical protein isoform 1 [Pan troglodytes]' 100.00 1393 100.00 100.00 1.60e-56 REF XP_001102844 'PREDICTED: E1A binding protein p300 [Macaca mulatta]' 100.00 2414 100.00 100.00 5.61e-49 REF XP_001076610 'PREDICTED: similar to E1A binding protein p300 [Rattus norvegicus]' 100.00 2413 100.00 100.00 4.67e-49 REF NP_808489 'E1A binding protein p300 [Mus musculus]' 100.00 2412 100.00 100.00 4.79e-49 REF NP_001420 'E1A binding protein p300 [Homo sapiens]' 100.00 2414 100.00 100.00 5.61e-49 GenBank EAW60408 'E1A binding protein p300 [Homo sapiens]' 100.00 2414 100.00 100.00 5.61e-49 GenBank AAI50682 'Ep300 protein [Mus musculus]' 100.00 2415 100.00 100.00 4.60e-49 GenBank AAH53889 'EP300 protein [Homo sapiens]' 100.00 1553 100.00 100.00 2.24e-56 GenBank AAB31182 'p300=transcription coactivator {N-terminal} [mice, Peptide Partial, 688 aa]' 100.00 688 98.02 99.01 1.18e-55 GenBank AAA18639 'p300 protein' 100.00 2414 100.00 100.00 5.52e-49 EMBL CAH73688 'E1A binding protein p300 [Homo sapiens]' 100.00 2414 100.00 100.00 5.61e-49 EMBL CAH70384 'E1A binding protein p300 [Homo sapiens]' 100.00 2414 100.00 100.00 5.61e-49 EMBL CAG04516 'unnamed protein product [Tetraodon nigroviridis]' 90.10 2539 98.90 100.00 4.88e-42 EMBL CAF95299 'unnamed protein product [Tetraodon nigroviridis]' 94.06 2730 98.95 100.00 8.82e-45 EMBL CAF93378 'unnamed protein product [Tetraodon nigroviridis]' 94.06 492 98.95 100.00 1.31e-52 DBJ BAG10860 'E1A binding protein p300 [synthetic construct]' 100.00 2414 100.00 100.00 5.61e-49 DBJ BAC31311 'unnamed protein product [Mus musculus]' 100.00 714 100.00 100.00 8.22e-57 PDB 1P4Q 'Solution Structure Of The Cited2 Transactivation Domain In Complex With The P300 Ch1 Domain' 100.00 101 100.00 100.00 2.88e-52 PDB 1L3E 'Nmr Structures Of The Hif-1alpha CtadP300 CH1 COMPLEX' 100.00 101 100.00 100.00 2.88e-52 BMRB 5306 'p300 cysteine/histidine-rich 1 domain' 100.00 101 100.00 100.00 2.88e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CITED2_TAD Human 9606 Eukaryota Metazoa Homo sapiens $p300_CH1 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 $CITED2_TAD 'recombinant technology' . . . . . $p300_CH1 'recombinant technology' . . . . . 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 $CITED2_TAD 1.0 mM '[U-15N; U-13C]' p300_CH1 1.0 mM '[U-15N; U-13C]' deut-MES 10 mM . NaCl 100 mM . ZnSO4 0.1 mM . deut-DTT 1 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CITED2_TAD 1.0 mM [U-15N] $p300_CH1 1.0 mM [U-15N] deut-MES 10 mM . NaCl 100 mM . ZnSO4 0.1 mM . deut-DTT 1 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CITED2_TAD 1.0 mM . $p300_CH1 1.0 mM . deut-MES 10 mM . NaCl 100 mM . ZnSO4 0.1 mM . deut-DTT 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Task 'NMR processing' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task 'peak analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CCONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label . save_ save_HCCONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label . save_ save_1H-15N-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-TOCSY _Sample_label . save_ save_1H-13C-HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-13C-HCCH-TOCSY _Sample_label . save_ save_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_1H-1H_2D_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H 2D NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-13C-HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H 2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name CITED2 _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 . 5 GLY C C 174.120 0.000 1 2 . 5 GLY CA C 45.300 0.000 1 3 . 6 SER H H 8.480 0.000 1 4 . 6 SER HA H 4.490 0.000 1 5 . 6 SER HB2 H 3.880 0.000 1 6 . 6 SER C C 175.000 0.000 1 7 . 6 SER CA C 57.968 0.000 1 8 . 6 SER CB C 63.568 0.000 1 9 . 6 SER N N 115.610 0.000 1 10 . 7 GLY H H 8.530 0.000 1 11 . 7 GLY C C 174.310 0.000 1 12 . 7 GLY CA C 45.300 0.000 1 13 . 7 GLY N N 110.860 0.000 1 14 . 8 SER H H 8.260 0.000 1 15 . 8 SER HA H 4.480 0.000 1 16 . 8 SER HB2 H 3.880 0.000 1 17 . 8 SER C C 174.280 0.000 1 18 . 8 SER CA C 58.348 0.000 1 19 . 8 SER CB C 63.568 0.000 1 20 . 8 SER N N 115.400 0.000 1 21 . 9 ASN H H 8.510 0.000 1 22 . 9 ASN HA H 4.770 0.000 1 23 . 9 ASN HB2 H 2.770 0.000 1 24 . 9 ASN C C 174.980 0.000 1 25 . 9 ASN CA C 52.758 0.000 1 26 . 9 ASN CB C 38.960 0.000 1 27 . 9 ASN N N 120.370 0.000 1 28 . 10 VAL H H 8.030 0.000 1 29 . 10 VAL HA H 4.010 0.000 1 30 . 10 VAL HB H 2.040 0.000 1 31 . 10 VAL HG1 H 0.920 0.000 1 32 . 10 VAL HG2 H 0.920 0.000 1 33 . 10 VAL C C 177.000 0.000 1 34 . 10 VAL CA C 62.818 0.000 1 35 . 10 VAL CB C 32.620 0.000 1 36 . 10 VAL CG1 C 21.060 0.000 1 37 . 10 VAL CG2 C 20.690 0.000 1 38 . 10 VAL N N 119.720 0.000 1 39 . 11 ILE H H 7.810 0.000 1 40 . 11 ILE HA H 4.150 0.000 1 41 . 11 ILE HB H 1.340 0.000 1 42 . 11 ILE HG12 H 1.280 0.000 2 43 . 11 ILE HG13 H 0.810 0.000 2 44 . 11 ILE HG2 H 0.560 0.000 1 45 . 11 ILE HD1 H 0.600 0.000 1 46 . 11 ILE C C 173.660 0.000 1 47 . 11 ILE CA C 60.208 0.000 1 48 . 11 ILE CB C 40.080 0.000 1 49 . 11 ILE CG1 C 27.400 0.000 1 50 . 11 ILE CG2 C 17.330 0.000 1 51 . 11 ILE CD1 C 13.600 0.000 1 52 . 11 ILE N N 120.800 0.000 1 53 . 12 ASP H H 8.380 0.000 1 54 . 12 ASP HA H 4.870 0.000 1 55 . 12 ASP HB2 H 2.880 0.000 2 56 . 12 ASP HB3 H 2.660 0.000 2 57 . 12 ASP C C 176.530 0.000 1 58 . 12 ASP CA C 53.128 0.000 1 59 . 12 ASP CB C 41.940 0.000 1 60 . 12 ASP N N 124.040 0.000 1 61 . 13 THR H H 8.330 0.000 1 62 . 13 THR HA H 4.410 0.000 1 63 . 13 THR HB H 4.390 0.000 1 64 . 13 THR HG2 H 1.160 0.000 1 65 . 13 THR C C 175.680 0.000 1 66 . 13 THR CA C 60.958 0.000 1 67 . 13 THR CB C 69.158 0.000 1 68 . 13 THR CG2 C 21.800 0.000 1 69 . 13 THR N N 112.380 0.000 1 70 . 14 ASP H H 8.690 0.000 1 71 . 14 ASP HA H 4.430 0.000 1 72 . 14 ASP HB2 H 2.780 0.000 2 73 . 14 ASP HB3 H 2.620 0.000 2 74 . 14 ASP C C 176.380 0.000 1 75 . 14 ASP CA C 56.108 0.000 1 76 . 14 ASP CB C 40.080 0.000 1 77 . 14 ASP N N 123.820 0.000 1 78 . 15 PHE H H 7.970 0.000 1 79 . 15 PHE HA H 4.630 0.000 1 80 . 15 PHE HB2 H 3.230 0.000 1 81 . 15 PHE HD1 H 7.290 0.000 1 82 . 15 PHE HE1 H 7.450 0.000 1 83 . 15 PHE HZ H 7.050 0.000 1 84 . 15 PHE C C 174.750 0.000 1 85 . 15 PHE CA C 57.228 0.000 1 86 . 15 PHE CB C 38.580 0.000 1 87 . 15 PHE N N 116.050 0.000 1 88 . 16 ILE H H 7.330 0.000 1 89 . 16 ILE HA H 4.210 0.000 1 90 . 16 ILE HB H 1.580 0.000 1 91 . 16 ILE HG12 H 1.320 0.000 2 92 . 16 ILE HG13 H 1.090 0.000 2 93 . 16 ILE HG2 H 0.780 0.000 1 94 . 16 ILE HD1 H 0.890 0.000 1 95 . 16 ILE C C 174.440 0.000 1 96 . 16 ILE CA C 59.468 0.000 1 97 . 16 ILE CB C 39.330 0.000 1 98 . 16 ILE CG1 C 27.770 0.000 1 99 . 16 ILE CG2 C 16.960 0.000 1 100 . 16 ILE CD1 C 13.970 0.000 1 101 . 16 ILE N N 121.450 0.000 1 102 . 17 ASP H H 8.660 0.000 1 103 . 17 ASP HA H 4.580 0.000 1 104 . 17 ASP HB2 H 2.830 0.000 2 105 . 17 ASP HB3 H 2.740 0.000 2 106 . 17 ASP C C 177.000 0.000 1 107 . 17 ASP CA C 53.868 0.000 1 108 . 17 ASP CB C 42.310 0.000 1 109 . 17 ASP N N 127.710 0.000 1 110 . 18 GLU H H 9.070 0.000 1 111 . 18 GLU HA H 3.860 0.000 1 112 . 18 GLU HB2 H 2.120 0.000 1 113 . 18 GLU HG2 H 2.330 0.000 1 114 . 18 GLU C C 178.240 0.000 1 115 . 18 GLU CA C 59.468 0.000 1 116 . 18 GLU CB C 30.010 0.000 1 117 . 18 GLU CG C 36.350 0.000 1 118 . 18 GLU N N 125.550 0.000 1 119 . 19 GLU H H 8.760 0.000 1 120 . 19 GLU HA H 4.160 0.000 1 121 . 19 GLU HB2 H 2.120 0.000 1 122 . 19 GLU HG2 H 2.410 0.000 2 123 . 19 GLU HG3 H 2.330 0.000 2 124 . 19 GLU C C 179.790 0.000 1 125 . 19 GLU CA C 59.088 0.000 1 126 . 19 GLU CB C 28.890 0.000 1 127 . 19 GLU CG C 36.350 0.000 1 128 . 19 GLU N N 119.720 0.000 1 129 . 20 VAL H H 7.770 0.000 1 130 . 20 VAL HA H 3.750 0.000 1 131 . 20 VAL HB H 2.240 0.000 1 132 . 20 VAL HG1 H 1.000 0.000 2 133 . 20 VAL HG2 H 1.140 0.000 2 134 . 20 VAL C C 179.020 0.000 1 135 . 20 VAL CA C 65.808 0.000 1 136 . 20 VAL CB C 31.500 0.000 1 137 . 20 VAL CG1 C 21.060 0.000 1 138 . 20 VAL CG2 C 22.550 0.000 1 139 . 20 VAL N N 122.310 0.000 1 140 . 21 LEU H H 7.940 0.000 1 141 . 21 LEU HA H 4.030 0.000 1 142 . 21 LEU HB2 H 1.700 0.000 1 143 . 21 LEU HG H 1.700 0.000 1 144 . 21 LEU HD1 H 0.890 0.000 2 145 . 21 LEU HD2 H 0.840 0.000 2 146 . 21 LEU C C 178.320 0.000 1 147 . 21 LEU CA C 57.968 0.000 1 148 . 21 LEU CB C 41.940 0.000 1 149 . 21 LEU CG C 27.020 0.000 1 150 . 21 LEU CD1 C 24.410 0.000 1 151 . 21 LEU CD2 C 24.790 0.000 1 152 . 21 LEU N N 119.500 0.000 1 153 . 22 MET H H 8.270 0.000 1 154 . 22 MET HA H 4.290 0.000 1 155 . 22 MET HB2 H 2.230 0.000 1 156 . 22 MET HG2 H 2.750 0.000 1 157 . 22 MET HE H 2.110 0.000 1 158 . 22 MET C C 178.240 0.000 1 159 . 22 MET CA C 57.228 0.000 1 160 . 22 MET CB C 30.750 0.000 1 161 . 22 MET CG C 32.240 0.000 1 162 . 22 MET CE C 16.580 0.000 1 163 . 22 MET N N 116.690 0.000 1 164 . 23 SER H H 7.970 0.000 1 165 . 23 SER HA H 4.200 0.000 1 166 . 23 SER HB2 H 3.990 0.000 1 167 . 23 SER C C 177.070 0.000 1 168 . 23 SER CA C 61.698 0.000 1 169 . 23 SER CB C 61.698 0.000 1 170 . 23 SER N N 114.750 0.000 1 171 . 24 LEU H H 7.930 0.000 1 172 . 24 LEU HA H 4.220 0.000 1 173 . 24 LEU HB2 H 2.040 0.000 1 174 . 24 LEU HG H 1.590 0.000 1 175 . 24 LEU HD1 H 0.870 0.000 2 176 . 24 LEU HD2 H 0.860 0.000 2 177 . 24 LEU C C 178.320 0.000 1 178 . 24 LEU CA C 57.598 0.000 1 179 . 24 LEU CB C 42.310 0.000 1 180 . 24 LEU CD1 C 25.530 0.000 1 181 . 24 LEU CD2 C 23.670 0.000 1 182 . 24 LEU N N 123.610 0.000 1 183 . 25 VAL H H 8.250 0.000 1 184 . 25 VAL HA H 3.430 0.000 1 185 . 25 VAL HB H 2.530 0.000 1 186 . 25 VAL HG1 H 0.790 0.000 2 187 . 25 VAL HG2 H 0.910 0.000 2 188 . 25 VAL C C 177.850 0.000 1 189 . 25 VAL CA C 66.548 0.000 1 190 . 25 VAL CB C 31.500 0.000 1 191 . 25 VAL CG1 C 22.180 0.000 1 192 . 25 VAL CG2 C 22.550 0.000 1 193 . 25 VAL N N 119.720 0.000 1 194 . 26 ILE H H 7.670 0.000 1 195 . 26 ILE HA H 3.810 0.000 1 196 . 26 ILE HB H 1.990 0.000 1 197 . 26 ILE HG12 H 1.630 0.000 2 198 . 26 ILE HG13 H 1.330 0.000 2 199 . 26 ILE HG2 H 0.950 0.000 1 200 . 26 ILE HD1 H 0.810 0.000 1 201 . 26 ILE C C 180.650 0.000 1 202 . 26 ILE CA C 63.198 0.000 1 203 . 26 ILE CB C 37.470 0.000 1 204 . 26 ILE CG1 C 28.520 0.000 1 205 . 26 ILE CG2 C 16.960 0.000 1 206 . 26 ILE CD1 C 11.360 0.000 1 207 . 26 ILE N N 117.990 0.000 1 208 . 27 GLU H H 8.680 0.000 1 209 . 27 GLU HA H 4.050 0.000 1 210 . 27 GLU HB2 H 2.170 0.000 1 211 . 27 GLU HG2 H 2.400 0.000 2 212 . 27 GLU HG3 H 2.310 0.000 2 213 . 27 GLU C C 178.940 0.000 1 214 . 27 GLU CA C 59.088 0.000 1 215 . 27 GLU CB C 30.010 0.000 1 216 . 27 GLU CG C 35.600 0.000 1 217 . 27 GLU N N 123.820 0.000 1 218 . 28 MET H H 8.470 0.000 1 219 . 28 MET HA H 4.350 0.000 1 220 . 28 MET HB2 H 2.220 0.000 2 221 . 28 MET HB3 H 2.040 0.000 2 222 . 28 MET HG2 H 2.870 0.000 2 223 . 28 MET HG3 H 2.620 0.000 2 224 . 28 MET HE H 2.050 0.000 1 225 . 28 MET C C 176.380 0.000 1 226 . 28 MET CA C 56.478 0.000 1 227 . 28 MET CG C 33.740 0.000 1 228 . 28 MET CE C 18.080 0.000 1 229 . 28 MET N N 114.100 0.000 1 230 . 29 GLY H H 7.970 0.000 1 231 . 29 GLY HA2 H 4.040 0.000 1 232 . 29 GLY HA3 H 3.960 0.000 1 233 . 29 GLY C C 177.070 0.000 1 234 . 29 GLY CA C 46.410 0.000 1 235 . 29 GLY N N 107.410 0.000 1 236 . 30 LEU H H 8.320 0.000 1 237 . 30 LEU HA H 4.130 0.000 1 238 . 30 LEU HB2 H 1.910 0.000 2 239 . 30 LEU HB3 H 1.580 0.000 2 240 . 30 LEU HG H 1.720 0.000 1 241 . 30 LEU HD1 H 1.000 0.000 2 242 . 30 LEU HD2 H 0.870 0.000 2 243 . 30 LEU C C 176.210 0.000 1 244 . 30 LEU CA C 56.478 0.000 1 245 . 30 LEU CB C 41.570 0.000 1 246 . 30 LEU CG C 27.020 0.000 1 247 . 30 LEU CD1 C 25.910 0.000 1 248 . 30 LEU CD2 C 22.920 0.000 1 249 . 30 LEU N N 118.850 0.000 1 250 . 31 ASP H H 9.310 0.000 1 251 . 31 ASP HA H 4.240 0.000 1 252 . 31 ASP HB2 H 2.700 0.000 2 253 . 31 ASP HB3 H 2.300 0.000 2 254 . 31 ASP C C 176.070 0.000 1 255 . 31 ASP CA C 54.248 0.000 1 256 . 31 ASP CB C 38.960 0.000 1 257 . 31 ASP N N 114.320 0.000 1 258 . 32 ARG H H 7.460 0.000 1 259 . 32 ARG HA H 4.460 0.000 1 260 . 32 ARG HB2 H 2.030 0.000 1 261 . 32 ARG HG2 H 1.580 0.000 1 262 . 32 ARG HD2 H 3.180 0.000 1 263 . 32 ARG C C 176.070 0.000 1 264 . 32 ARG CA C 54.988 0.000 1 265 . 32 ARG CB C 32.240 0.000 1 266 . 32 ARG CG C 27.020 0.000 1 267 . 32 ARG CD C 43.430 0.000 1 268 . 32 ARG N N 117.340 0.000 1 269 . 33 ILE H H 7.220 0.000 1 270 . 33 ILE HA H 4.100 0.000 1 271 . 33 ILE HB H 1.870 0.000 1 272 . 33 ILE HG12 H 1.630 0.000 2 273 . 33 ILE HG13 H 1.200 0.000 2 274 . 33 ILE HG2 H 0.920 0.000 1 275 . 33 ILE HD1 H 0.840 0.000 1 276 . 33 ILE CA C 61.698 0.000 1 277 . 33 ILE CB C 38.580 0.000 1 278 . 33 ILE CG1 C 27.020 0.000 1 279 . 33 ILE CG2 C 17.330 0.000 1 280 . 33 ILE CD1 C 13.230 0.000 1 281 . 33 ILE N N 119.290 0.000 1 282 . 34 LYS HB2 H 1.880 0.000 1 283 . 34 LYS C C 176.610 0.000 1 284 . 35 GLU H H 7.850 0.000 1 285 . 35 GLU HA H 4.490 0.000 1 286 . 35 GLU HB2 H 1.940 0.000 2 287 . 35 GLU HB3 H 1.870 0.000 2 288 . 35 GLU HG2 H 2.160 0.000 1 289 . 35 GLU C C 174.280 0.000 1 290 . 35 GLU CA C 54.618 0.000 1 291 . 35 GLU CB C 31.500 0.000 1 292 . 35 GLU CG C 35.600 0.000 1 293 . 35 GLU N N 118.420 0.000 1 294 . 36 LEU H H 8.480 0.000 1 295 . 36 LEU HA H 4.390 0.000 1 296 . 36 LEU HB2 H 1.350 0.000 2 297 . 36 LEU HB3 H 0.510 0.000 2 298 . 36 LEU HG H 1.060 0.000 1 299 . 36 LEU HD1 H 0.500 0.000 2 300 . 36 LEU HD2 H 0.270 0.000 2 301 . 36 LEU CA C 51.260 0.000 1 302 . 36 LEU CB C 41.570 0.000 1 303 . 36 LEU CG C 26.280 0.000 1 304 . 36 LEU CD1 C 24.040 0.000 1 305 . 36 LEU CD2 C 24.410 0.000 1 306 . 36 LEU N N 126.200 0.000 1 307 . 37 PRO HA H 4.360 0.000 1 308 . 37 PRO HB2 H 2.240 0.000 2 309 . 37 PRO HB3 H 1.720 0.000 2 310 . 37 PRO HG2 H 2.060 0.000 2 311 . 37 PRO HG3 H 2.020 0.000 2 312 . 37 PRO HD2 H 3.500 0.000 1 313 . 37 PRO C C 175.910 0.000 1 314 . 37 PRO CA C 62.448 0.000 1 315 . 37 PRO CB C 31.870 0.000 1 316 . 37 PRO CG C 27.400 0.000 1 317 . 37 PRO CD C 50.520 0.000 1 318 . 38 GLU H H 8.470 0.000 1 319 . 38 GLU HA H 4.290 0.000 1 320 . 38 GLU HB2 H 1.850 0.000 2 321 . 38 GLU HB3 H 1.700 0.000 2 322 . 38 GLU HG2 H 2.080 0.000 1 323 . 38 GLU C C 175.830 0.000 1 324 . 38 GLU N N 121.880 0.000 1 325 . 39 LEU H H 9.070 0.000 1 326 . 39 LEU HA H 4.420 0.000 1 327 . 39 LEU HB2 H 1.570 0.000 2 328 . 39 LEU HB3 H 1.230 0.000 2 329 . 39 LEU HG H 1.570 0.000 1 330 . 39 LEU HD1 H 0.750 0.000 2 331 . 39 LEU HD2 H 0.760 0.000 2 332 . 39 LEU C C 175.990 0.000 1 333 . 39 LEU CA C 54.248 0.000 1 334 . 39 LEU CB C 43.060 0.000 1 335 . 39 LEU CD1 C 25.910 0.000 1 336 . 39 LEU CD2 C 22.920 0.000 1 337 . 39 LEU N N 126.200 0.000 1 338 . 40 TRP H H 8.900 0.000 1 339 . 40 TRP HA H 4.860 0.000 1 340 . 40 TRP HB2 H 3.350 0.000 2 341 . 40 TRP HB3 H 2.980 0.000 2 342 . 40 TRP HD1 H 7.180 0.000 1 343 . 40 TRP HE1 H 10.140 0.000 1 344 . 40 TRP HE3 H 7.580 0.000 1 345 . 40 TRP HZ2 H 7.430 0.000 1 346 . 40 TRP HZ3 H 7.100 0.000 1 347 . 40 TRP HH2 H 7.120 0.000 1 348 . 40 TRP C C 175.770 0.000 1 349 . 40 TRP CA C 56.108 0.000 1 350 . 40 TRP CB C 30.010 0.000 1 351 . 40 TRP N N 122.960 0.000 1 352 . 40 TRP NE1 N 129.220 0.000 1 353 . 41 LEU H H 8.710 0.000 1 354 . 41 LEU HA H 4.320 0.000 1 355 . 41 LEU HB2 H 1.640 0.000 2 356 . 41 LEU HB3 H 1.450 0.000 2 357 . 41 LEU HG H 1.630 0.000 1 358 . 41 LEU HD1 H 0.750 0.000 2 359 . 41 LEU HD2 H 0.740 0.000 2 360 . 41 LEU C C 177.390 0.000 1 361 . 41 LEU CA C 54.248 0.000 1 362 . 41 LEU CB C 41.940 0.000 1 363 . 41 LEU CD2 C 23.300 0.000 1 364 . 41 LEU N N 124.470 0.000 1 365 . 42 GLY H H 8.500 0.000 1 366 . 42 GLY C C 174.360 0.000 1 367 . 42 GLY CA C 44.920 0.000 1 368 . 42 GLY N N 109.570 0.000 1 369 . 43 GLN H H 8.360 0.000 1 370 . 43 GLN HA H 4.250 0.000 1 371 . 43 GLN HB2 H 2.120 0.000 2 372 . 43 GLN HB3 H 1.960 0.000 2 373 . 43 GLN HG2 H 2.320 0.000 1 374 . 43 GLN C C 176.220 0.000 1 375 . 43 GLN CA C 56.108 0.000 1 376 . 43 GLN CB C 29.260 0.000 1 377 . 43 GLN CG C 33.740 0.000 1 378 . 43 GLN N N 119.070 0.000 1 379 . 44 ASN H H 8.510 0.000 1 380 . 44 ASN HA H 4.650 0.000 1 381 . 44 ASN HB2 H 2.840 0.000 2 382 . 44 ASN HB3 H 2.700 0.000 2 383 . 44 ASN C C 175.600 0.000 1 384 . 44 ASN CA C 53.128 0.000 1 385 . 44 ASN CB C 38.580 0.000 1 386 . 44 ASN N N 117.340 0.000 1 387 . 45 GLU H H 8.160 0.000 1 388 . 45 GLU HA H 3.900 0.000 1 389 . 45 GLU HB2 H 1.840 0.000 2 390 . 45 GLU HB3 H 1.690 0.000 2 391 . 45 GLU HG2 H 2.010 0.000 2 392 . 45 GLU HG3 H 1.950 0.000 2 393 . 45 GLU C C 176.610 0.000 1 394 . 45 GLU CA C 57.968 0.000 1 395 . 45 GLU CB C 29.640 0.000 1 396 . 45 GLU CG C 35.970 0.000 1 397 . 45 GLU N N 120.150 0.000 1 398 . 46 PHE H H 8.070 0.000 1 399 . 46 PHE HA H 4.400 0.000 1 400 . 46 PHE HB2 H 3.050 0.000 2 401 . 46 PHE HB3 H 2.910 0.000 2 402 . 46 PHE HD1 H 7.110 0.000 1 403 . 46 PHE HE1 H 7.330 0.000 1 404 . 46 PHE C C 175.750 0.000 1 405 . 46 PHE CA C 57.598 0.000 1 406 . 46 PHE CB C 38.960 0.000 1 407 . 46 PHE N N 116.910 0.000 1 408 . 47 ASP H H 7.970 0.000 1 409 . 47 ASP HA H 4.510 0.000 1 410 . 47 ASP HB2 H 2.630 0.000 2 411 . 47 ASP HB3 H 2.570 0.000 2 412 . 47 ASP C C 176.450 0.000 1 413 . 47 ASP CA C 54.618 0.000 1 414 . 47 ASP CB C 40.450 0.000 1 415 . 47 ASP N N 120.580 0.000 1 416 . 48 PHE H H 7.960 0.000 1 417 . 48 PHE HA H 4.550 0.000 1 418 . 48 PHE HB2 H 3.150 0.000 2 419 . 48 PHE HB3 H 3.110 0.000 2 420 . 48 PHE HD1 H 7.220 0.000 1 421 . 48 PHE C C 175.750 0.000 1 422 . 48 PHE CA C 57.968 0.000 1 423 . 48 PHE CB C 38.960 0.000 1 424 . 48 PHE N N 118.850 0.000 1 425 . 49 MET H H 8.070 0.000 1 426 . 49 MET HA H 4.450 0.000 1 427 . 49 MET HB2 H 2.030 0.000 1 428 . 49 MET HG2 H 2.460 0.000 2 429 . 49 MET HG3 H 2.320 0.000 2 430 . 49 MET HE H 1.970 0.000 1 431 . 49 MET C C 176.460 0.000 1 432 . 49 MET CA C 55.358 0.000 1 433 . 49 MET CB C 32.240 0.000 1 434 . 49 MET CG C 32.240 0.000 1 435 . 49 MET CE C 16.960 0.000 1 436 . 49 MET N N 118.420 0.000 1 437 . 50 THR H H 7.890 0.000 1 438 . 50 THR HA H 4.280 0.000 1 439 . 50 THR HB H 4.180 0.000 1 440 . 50 THR HG2 H 1.110 0.000 1 441 . 50 THR C C 174.120 0.000 1 442 . 50 THR CA C 62.078 0.000 1 443 . 50 THR CB C 69.528 0.000 1 444 . 50 THR CG2 C 21.430 0.000 1 445 . 50 THR N N 112.160 0.000 1 446 . 51 ASP H H 8.120 0.000 1 447 . 51 ASP HA H 4.640 0.000 1 448 . 51 ASP HB2 H 2.660 0.000 2 449 . 51 ASP HB3 H 2.510 0.000 2 450 . 51 ASP C C 174.610 0.000 1 451 . 51 ASP CA C 54.248 0.000 1 452 . 51 ASP CB C 40.820 0.000 1 453 . 51 ASP N N 121.660 0.000 1 454 . 52 PHE H H 7.580 0.000 1 455 . 52 PHE HA H 4.420 0.000 1 456 . 52 PHE HB2 H 3.120 0.000 2 457 . 52 PHE HB3 H 2.980 0.000 2 458 . 52 PHE HD1 H 7.180 0.000 1 459 . 52 PHE CA C 58.718 0.000 1 460 . 52 PHE CB C 40.080 0.000 1 461 . 52 PHE N N 124.040 0.000 1 stop_ save_ save_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'p300 cysteine histidine-rich 1 domain' _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 . 4 GLY C C 173.810 0.000 1 2 . 4 GLY CA C 45.300 0.000 1 3 . 5 ALA H H 8.110 0.000 1 4 . 5 ALA HA H 4.280 0.000 1 5 . 5 ALA HB H 1.320 0.000 1 6 . 5 ALA C C 177.620 0.000 1 7 . 5 ALA CA C 52.008 0.000 1 8 . 5 ALA CB C 19.190 0.000 1 9 . 5 ALA N N 123.170 0.000 1 10 . 6 HIS H H 8.540 0.000 1 11 . 6 HIS HA H 4.730 0.000 1 12 . 6 HIS HB2 H 3.240 0.000 2 13 . 6 HIS HB3 H 3.130 0.000 2 14 . 6 HIS C C 174.590 0.000 1 15 . 6 HIS CA C 54.988 0.000 1 16 . 6 HIS CB C 29.260 0.000 1 17 . 6 HIS N N 117.770 0.000 1 18 . 7 THR H H 8.120 0.000 1 19 . 7 THR HA H 4.290 0.000 1 20 . 7 THR HB H 4.130 0.000 1 21 . 7 THR HG2 H 1.190 0.000 1 22 . 7 THR C C 173.890 0.000 1 23 . 7 THR CA C 61.328 0.000 1 24 . 7 THR CB C 69.528 0.000 1 25 . 7 THR CG2 C 21.430 0.000 1 26 . 7 THR N N 115.830 0.000 1 27 . 8 ALA H H 8.440 0.000 1 28 . 8 ALA HA H 4.300 0.000 1 29 . 8 ALA HB H 1.330 0.000 1 30 . 8 ALA C C 177.000 0.000 1 31 . 8 ALA CA C 52.008 0.000 1 32 . 8 ALA CB C 19.570 0.000 1 33 . 8 ALA N N 126.630 0.000 1 34 . 9 ASP H H 8.420 0.000 1 35 . 9 ASP HA H 4.850 0.000 1 36 . 9 ASP HB2 H 2.880 0.000 2 37 . 9 ASP HB3 H 2.760 0.000 2 38 . 9 ASP CA C 52.758 0.000 1 39 . 9 ASP CB C 38.580 0.000 1 40 . 9 ASP N N 121.660 0.000 1 41 . 10 PRO HA H 4.260 0.000 1 42 . 10 PRO HB2 H 2.380 0.000 2 43 . 10 PRO HB3 H 2.020 0.000 2 44 . 10 PRO HG2 H 2.130 0.000 2 45 . 10 PRO HG3 H 2.080 0.000 2 46 . 10 PRO HD2 H 3.920 0.000 1 47 . 10 PRO C C 178.780 0.000 1 48 . 10 PRO CA C 64.688 0.000 1 49 . 10 PRO CB C 31.870 0.000 1 50 . 10 PRO CG C 27.400 0.000 1 51 . 10 PRO CD C 50.890 0.000 1 52 . 11 GLU H H 8.310 0.000 1 53 . 11 GLU HA H 4.170 0.000 1 54 . 11 GLU HB2 H 2.120 0.000 1 55 . 11 GLU HG2 H 2.320 0.000 1 56 . 11 GLU C C 178.470 0.000 1 57 . 11 GLU CA C 58.348 0.000 1 58 . 11 GLU CB C 28.890 0.000 1 59 . 11 GLU CG C 36.350 0.000 1 60 . 11 GLU N N 119.070 0.000 1 61 . 12 LYS H H 7.890 0.000 1 62 . 12 LYS HA H 3.950 0.000 1 63 . 12 LYS HB2 H 1.930 0.000 2 64 . 12 LYS HB3 H 1.820 0.000 2 65 . 12 LYS HG2 H 1.470 0.000 1 66 . 12 LYS HD2 H 1.690 0.000 1 67 . 12 LYS HE2 H 3.010 0.000 2 68 . 12 LYS HE3 H 2.720 0.000 2 69 . 12 LYS C C 178.320 0.000 1 70 . 12 LYS CA C 59.088 0.000 1 71 . 12 LYS CB C 32.240 0.000 1 72 . 12 LYS CG C 25.160 0.000 1 73 . 12 LYS CD C 28.890 0.000 1 74 . 12 LYS CE C 41.940 0.000 1 75 . 12 LYS N N 120.580 0.000 1 76 . 13 ARG H H 8.030 0.000 1 77 . 13 ARG HA H 3.690 0.000 1 78 . 13 ARG HB2 H 1.850 0.000 2 79 . 13 ARG HB3 H 1.800 0.000 2 80 . 13 ARG HG2 H 1.540 0.000 2 81 . 13 ARG HG3 H 1.440 0.000 2 82 . 13 ARG HD2 H 3.080 0.000 2 83 . 13 ARG HD3 H 3.040 0.000 2 84 . 13 ARG C C 177.700 0.000 1 85 . 13 ARG CA C 60.208 0.000 1 86 . 13 ARG CB C 30.010 0.000 1 87 . 13 ARG CG C 27.020 0.000 1 88 . 13 ARG CD C 43.800 0.000 1 89 . 13 ARG N N 117.560 0.000 1 90 . 14 LYS H H 7.550 0.000 1 91 . 14 LYS HA H 4.170 0.000 1 92 . 14 LYS HB2 H 1.990 0.000 2 93 . 14 LYS HB3 H 1.950 0.000 2 94 . 14 LYS HG2 H 1.410 0.000 1 95 . 14 LYS HD2 H 1.760 0.000 1 96 . 14 LYS HE2 H 2.970 0.000 1 97 . 14 LYS C C 178.630 0.000 1 98 . 14 LYS CA C 58.718 0.000 1 99 . 14 LYS CB C 31.870 0.000 1 100 . 14 LYS CG C 24.790 0.000 1 101 . 14 LYS CD C 28.890 0.000 1 102 . 14 LYS CE C 41.940 0.000 1 103 . 14 LYS N N 118.640 0.000 1 104 . 15 LEU H H 7.680 0.000 1 105 . 15 LEU HA H 4.110 0.000 1 106 . 15 LEU HB2 H 2.050 0.000 2 107 . 15 LEU HB3 H 1.600 0.000 2 108 . 15 LEU HG H 1.980 0.000 1 109 . 15 LEU HD1 H 0.910 0.000 2 110 . 15 LEU HD2 H 0.900 0.000 2 111 . 15 LEU C C 180.650 0.000 1 112 . 15 LEU CA C 57.598 0.000 1 113 . 15 LEU CB C 41.570 0.000 1 114 . 15 LEU CD1 C 25.530 0.000 1 115 . 15 LEU CD2 C 22.550 0.000 1 116 . 15 LEU N N 118.420 0.000 1 117 . 16 ILE H H 8.110 0.000 1 118 . 16 ILE HA H 3.430 0.000 1 119 . 16 ILE HB H 1.940 0.000 1 120 . 16 ILE HG12 H 1.790 0.000 2 121 . 16 ILE HG13 H 0.770 0.000 2 122 . 16 ILE HG2 H 0.800 0.000 1 123 . 16 ILE HD1 H 0.560 0.000 1 124 . 16 ILE C C 177.230 0.000 1 125 . 16 ILE CA C 65.058 0.000 1 126 . 16 ILE CB C 37.470 0.000 1 127 . 16 ILE CG1 C 29.640 0.000 1 128 . 16 ILE CG2 C 17.700 0.000 1 129 . 16 ILE CD1 C 13.970 0.000 1 130 . 16 ILE N N 120.150 0.000 1 131 . 17 GLN H H 8.240 0.000 1 132 . 17 GLN HA H 3.790 0.000 1 133 . 17 GLN HB2 H 2.460 0.000 1 134 . 17 GLN HG2 H 2.690 0.000 2 135 . 17 GLN HG3 H 2.500 0.000 2 136 . 17 GLN C C 177.770 0.000 1 137 . 17 GLN CA C 59.468 0.000 1 138 . 17 GLN CB C 29.640 0.000 1 139 . 17 GLN CG C 34.480 0.000 1 140 . 17 GLN N N 118.210 0.000 1 141 . 18 GLN H H 8.510 0.000 1 142 . 18 GLN HA H 3.910 0.000 1 143 . 18 GLN HB2 H 2.000 0.000 1 144 . 18 GLN HG2 H 2.360 0.000 1 145 . 18 GLN C C 177.070 0.000 1 146 . 18 GLN CA C 59.088 0.000 1 147 . 18 GLN CB C 28.890 0.000 1 148 . 18 GLN CG C 35.230 0.000 1 149 . 18 GLN N N 116.480 0.000 1 150 . 19 GLN H H 7.720 0.000 1 151 . 19 GLN HA H 3.900 0.000 1 152 . 19 GLN HB2 H 2.070 0.000 1 153 . 19 GLN HG2 H 2.790 0.000 1 154 . 19 GLN C C 176.530 0.000 1 155 . 19 GLN CA C 60.208 0.000 1 156 . 19 GLN CG C 34.850 0.000 1 157 . 19 GLN N N 118.210 0.000 1 158 . 20 LEU H H 8.520 0.000 1 159 . 20 LEU HA H 3.960 0.000 1 160 . 20 LEU HB2 H 2.140 0.000 2 161 . 20 LEU HB3 H 1.360 0.000 2 162 . 20 LEU HG H 1.120 0.000 1 163 . 20 LEU HD1 H 0.520 0.000 2 164 . 20 LEU HD2 H 0.890 0.000 2 165 . 20 LEU C C 177.150 0.000 1 166 . 20 LEU CA C 58.348 0.000 1 167 . 20 LEU CB C 41.190 0.000 1 168 . 20 LEU CG C 27.020 0.000 1 169 . 20 LEU CD1 C 20.690 0.000 1 170 . 20 LEU CD2 C 26.650 0.000 1 171 . 20 LEU N N 119.500 0.000 1 172 . 21 VAL H H 8.230 0.000 1 173 . 21 VAL HA H 3.300 0.000 1 174 . 21 VAL HB H 2.060 0.000 1 175 . 21 VAL HG1 H 0.820 0.000 2 176 . 21 VAL HG2 H 1.020 0.000 2 177 . 21 VAL C C 177.540 0.000 1 178 . 21 VAL CA C 67.298 0.000 1 179 . 21 VAL CB C 31.500 0.000 1 180 . 21 VAL CG1 C 22.550 0.000 1 181 . 21 VAL CG2 C 24.410 0.000 1 182 . 21 VAL N N 117.130 0.000 1 183 . 22 LEU H H 8.010 0.000 1 184 . 22 LEU HA H 3.980 0.000 1 185 . 22 LEU HB2 H 1.810 0.000 2 186 . 22 LEU HB3 H 1.530 0.000 2 187 . 22 LEU HG H 1.680 0.000 1 188 . 22 LEU HD1 H 0.840 0.000 2 189 . 22 LEU HD2 H 0.830 0.000 2 190 . 22 LEU C C 178.710 0.000 1 191 . 22 LEU CA C 57.598 0.000 1 192 . 22 LEU CD1 C 24.410 0.000 1 193 . 22 LEU CD2 C 25.160 0.000 1 194 . 22 LEU N N 118.850 0.000 1 195 . 23 LEU H H 8.560 0.000 1 196 . 23 LEU HA H 3.870 0.000 1 197 . 23 LEU HB2 H 2.190 0.000 2 198 . 23 LEU HB3 H 1.190 0.000 2 199 . 23 LEU HG H 1.860 0.000 1 200 . 23 LEU HD1 H 0.950 0.000 2 201 . 23 LEU HD2 H 0.970 0.000 2 202 . 23 LEU C C 178.470 0.000 1 203 . 23 LEU CA C 58.718 0.000 1 204 . 23 LEU CB C 43.060 0.000 1 205 . 23 LEU CG C 27.020 0.000 1 206 . 23 LEU CD1 C 25.160 0.000 1 207 . 23 LEU CD2 C 23.670 0.000 1 208 . 23 LEU N N 121.010 0.000 1 209 . 24 LEU H H 8.140 0.000 1 210 . 24 LEU HA H 3.830 0.000 1 211 . 24 LEU HB2 H 1.800 0.000 2 212 . 24 LEU HB3 H 1.040 0.000 2 213 . 24 LEU HG H 1.510 0.000 1 214 . 24 LEU HD1 H 0.040 0.000 2 215 . 24 LEU HD2 H 0.030 0.000 2 216 . 24 LEU C C 179.560 0.000 1 217 . 24 LEU CA C 57.598 0.000 1 218 . 24 LEU CB C 41.190 0.000 1 219 . 24 LEU CG C 25.910 0.000 1 220 . 24 LEU CD1 C 25.910 0.000 1 221 . 24 LEU CD2 C 21.430 0.000 1 222 . 24 LEU N N 117.770 0.000 1 223 . 25 HIS H H 8.770 0.000 1 224 . 25 HIS HA H 3.920 0.000 1 225 . 25 HIS HB2 H 3.410 0.000 2 226 . 25 HIS HB3 H 2.800 0.000 2 227 . 25 HIS HD2 H 7.130 0.000 1 228 . 25 HIS HE1 H 7.980 0.000 1 229 . 25 HIS C C 176.140 0.000 1 230 . 25 HIS CA C 60.588 0.000 1 231 . 25 HIS CB C 27.020 0.000 1 232 . 25 HIS N N 116.480 0.000 1 233 . 26 ALA H H 9.100 0.000 1 234 . 26 ALA HA H 4.000 0.000 1 235 . 26 ALA HB H 1.510 0.000 1 236 . 26 ALA C C 178.780 0.000 1 237 . 26 ALA CA C 54.988 0.000 1 238 . 26 ALA CB C 18.820 0.000 1 239 . 26 ALA N N 121.660 0.000 1 240 . 27 HIS H H 8.140 0.000 1 241 . 27 HIS HA H 4.000 0.000 1 242 . 27 HIS HB2 H 3.130 0.000 2 243 . 27 HIS HB3 H 3.080 0.000 2 244 . 27 HIS C C 177.590 0.000 1 245 . 27 HIS CA C 60.588 0.000 1 246 . 27 HIS CB C 30.380 0.000 1 247 . 27 HIS N N 116.910 0.000 1 248 . 28 LYS H H 7.530 0.000 1 249 . 28 LYS HA H 3.800 0.000 1 250 . 28 LYS HB2 H 1.820 0.000 1 251 . 28 LYS HG2 H 1.550 0.000 2 252 . 28 LYS HG3 H 1.460 0.000 2 253 . 28 LYS HD2 H 1.670 0.000 1 254 . 28 LYS HE2 H 2.990 0.000 1 255 . 28 LYS C C 178.160 0.000 1 256 . 28 LYS CA C 58.718 0.000 1 257 . 28 LYS CB C 32.240 0.000 1 258 . 28 LYS CG C 24.790 0.000 1 259 . 28 LYS CD C 28.890 0.000 1 260 . 28 LYS CE C 41.190 0.000 1 261 . 28 LYS N N 119.070 0.000 1 262 . 29 CYS H H 8.860 0.000 1 263 . 29 CYS HA H 3.700 0.000 1 264 . 29 CYS HB2 H 2.550 0.000 2 265 . 29 CYS HB3 H 2.090 0.000 2 266 . 29 CYS C C 177.700 0.000 1 267 . 29 CYS CA C 62.448 0.000 1 268 . 29 CYS CB C 29.640 0.000 1 269 . 29 CYS N N 123.610 0.000 1 270 . 30 GLN H H 8.290 0.000 1 271 . 30 GLN HA H 4.160 0.000 1 272 . 30 GLN HB2 H 2.110 0.000 1 273 . 30 GLN HG2 H 2.430 0.000 2 274 . 30 GLN HG3 H 2.330 0.000 2 275 . 30 GLN C C 177.460 0.000 1 276 . 30 GLN CA C 57.598 0.000 1 277 . 30 GLN CB C 29.260 0.000 1 278 . 30 GLN CG C 34.480 0.000 1 279 . 30 GLN N N 118.850 0.000 1 280 . 31 ARG H H 7.600 0.000 1 281 . 31 ARG HA H 4.090 0.000 1 282 . 31 ARG HB2 H 1.730 0.000 1 283 . 31 ARG HG2 H 1.590 0.000 1 284 . 31 ARG HD2 H 3.090 0.000 1 285 . 31 ARG C C 178.240 0.000 1 286 . 31 ARG CA C 57.598 0.000 1 287 . 31 ARG CB C 29.640 0.000 1 288 . 31 ARG CG C 27.020 0.000 1 289 . 31 ARG CD C 43.060 0.000 1 290 . 31 ARG N N 119.070 0.000 1 291 . 32 ARG H H 7.840 0.000 1 292 . 32 ARG HA H 4.170 0.000 1 293 . 32 ARG HB2 H 1.930 0.000 1 294 . 32 ARG HG2 H 1.740 0.000 2 295 . 32 ARG HG3 H 1.650 0.000 2 296 . 32 ARG HD2 H 3.230 0.000 1 297 . 32 ARG C C 177.620 0.000 1 298 . 32 ARG CA C 57.598 0.000 1 299 . 32 ARG CB C 30.380 0.000 1 300 . 32 ARG CG C 27.400 0.000 1 301 . 32 ARG CD C 43.430 0.000 1 302 . 32 ARG N N 119.930 0.000 1 303 . 33 GLU H H 8.040 0.000 1 304 . 33 GLU HA H 4.170 0.000 1 305 . 33 GLU HB2 H 2.120 0.000 1 306 . 33 GLU HG2 H 2.430 0.000 2 307 . 33 GLU HG3 H 2.330 0.000 2 308 . 33 GLU C C 177.850 0.000 1 309 . 33 GLU CA C 57.598 0.000 1 310 . 33 GLU CB C 30.380 0.000 1 311 . 33 GLU CG C 36.350 0.000 1 312 . 33 GLU N N 120.150 0.000 1 313 . 34 GLN H H 8.120 0.000 1 314 . 34 GLN HA H 4.240 0.000 1 315 . 34 GLN HB2 H 2.110 0.000 1 316 . 34 GLN HG2 H 2.500 0.000 2 317 . 34 GLN HG3 H 2.420 0.000 2 318 . 34 GLN C C 176.840 0.000 1 319 . 34 GLN CA C 56.478 0.000 1 320 . 34 GLN CB C 28.890 0.000 1 321 . 34 GLN CG C 34.110 0.000 1 322 . 34 GLN N N 118.640 0.000 1 323 . 35 ALA H H 7.990 0.000 1 324 . 35 ALA HA H 4.300 0.000 1 325 . 35 ALA HB H 1.460 0.000 1 326 . 35 ALA C C 177.930 0.000 1 327 . 35 ALA CA C 52.758 0.000 1 328 . 35 ALA CB C 19.190 0.000 1 329 . 35 ALA N N 122.530 0.000 1 330 . 36 ASN H H 8.140 0.000 1 331 . 36 ASN HA H 4.730 0.000 1 332 . 36 ASN HB2 H 2.850 0.000 1 333 . 36 ASN C C 175.680 0.000 1 334 . 36 ASN CA C 53.128 0.000 1 335 . 36 ASN CB C 38.960 0.000 1 336 . 36 ASN N N 115.400 0.000 1 337 . 37 GLY H H 8.240 0.000 1 338 . 37 GLY C C 174.050 0.000 1 339 . 37 GLY CA C 45.670 0.000 1 340 . 37 GLY N N 108.700 0.000 1 341 . 38 GLU H H 8.110 0.000 1 342 . 38 GLU HA H 4.330 0.000 1 343 . 38 GLU HB2 H 2.020 0.000 2 344 . 38 GLU HB3 H 1.930 0.000 2 345 . 38 GLU HG2 H 2.200 0.000 1 346 . 38 GLU C C 176.070 0.000 1 347 . 38 GLU CA C 55.738 0.000 1 348 . 38 GLU CB C 30.010 0.000 1 349 . 38 GLU CG C 35.970 0.000 1 350 . 38 GLU N N 119.930 0.000 1 351 . 39 VAL H H 8.150 0.000 1 352 . 39 VAL HA H 4.100 0.000 1 353 . 39 VAL HB H 2.050 0.000 1 354 . 39 VAL HG1 H 0.930 0.000 2 355 . 39 VAL HG2 H 0.910 0.000 2 356 . 39 VAL C C 175.990 0.000 1 357 . 39 VAL CA C 62.078 0.000 1 358 . 39 VAL CB C 32.620 0.000 1 359 . 39 VAL CG1 C 20.690 0.000 1 360 . 39 VAL CG2 C 21.430 0.000 1 361 . 39 VAL N N 121.660 0.000 1 362 . 40 ARG H H 8.520 0.000 1 363 . 40 ARG HA H 4.360 0.000 1 364 . 40 ARG HB2 H 1.750 0.000 1 365 . 40 ARG HG2 H 1.600 0.000 1 366 . 40 ARG HD2 H 3.180 0.000 1 367 . 40 ARG C C 175.750 0.000 1 368 . 40 ARG CA C 54.988 0.000 1 369 . 40 ARG CB C 31.130 0.000 1 370 . 40 ARG CG C 27.020 0.000 1 371 . 40 ARG CD C 43.430 0.000 1 372 . 40 ARG N N 125.550 0.000 1 373 . 41 GLN H H 8.570 0.000 1 374 . 41 GLN HA H 4.250 0.000 1 375 . 41 GLN HB2 H 2.000 0.000 2 376 . 41 GLN HB3 H 1.930 0.000 2 377 . 41 GLN HG2 H 2.310 0.000 1 378 . 41 GLN C C 175.130 0.000 1 379 . 41 GLN CA C 54.988 0.000 1 380 . 41 GLN CB C 29.260 0.000 1 381 . 41 GLN CG C 33.740 0.000 1 382 . 41 GLN N N 123.170 0.000 1 383 . 42 CYS H H 8.570 0.000 1 384 . 42 CYS HA H 4.270 0.000 1 385 . 42 CYS HB2 H 2.800 0.000 1 386 . 42 CYS C C 174.780 0.000 1 387 . 42 CYS CA C 59.838 0.000 1 388 . 42 CYS CB C 30.010 0.000 1 389 . 42 CYS N N 125.980 0.000 1 390 . 43 ASN H H 8.710 0.000 1 391 . 43 ASN HA H 4.820 0.000 1 392 . 43 ASN HB2 H 2.820 0.000 1 393 . 43 ASN CA C 53.868 0.000 1 394 . 43 ASN CB C 38.580 0.000 1 395 . 43 ASN N N 126.410 0.000 1 396 . 44 LEU HA H 4.500 0.000 1 397 . 44 LEU HB2 H 1.310 0.000 1 398 . 44 LEU HG H 1.550 0.000 1 399 . 44 LEU HD1 H 0.390 0.000 2 400 . 44 LEU HD2 H 0.410 0.000 2 401 . 44 LEU CA C 53.498 0.000 1 402 . 44 LEU CB C 41.190 0.000 1 403 . 44 LEU CG C 26.650 0.000 1 404 . 44 LEU CD1 C 24.040 0.000 1 405 . 44 LEU CD2 C 23.670 0.000 1 406 . 47 CYS HA H 4.040 0.000 1 407 . 47 CYS HB2 H 3.150 0.000 2 408 . 47 CYS HB3 H 2.770 0.000 2 409 . 47 CYS C C 176.760 0.000 1 410 . 47 CYS CA C 63.938 0.000 1 411 . 47 CYS CB C 28.890 0.000 1 412 . 48 ARG H H 8.270 0.000 1 413 . 48 ARG HA H 3.920 0.000 1 414 . 48 ARG HB2 H 2.000 0.000 1 415 . 48 ARG HG2 H 1.780 0.000 2 416 . 48 ARG HG3 H 1.730 0.000 2 417 . 48 ARG HD2 H 3.300 0.000 2 418 . 48 ARG HD3 H 3.260 0.000 2 419 . 48 ARG C C 178.470 0.000 1 420 . 48 ARG CA C 59.088 0.000 1 421 . 48 ARG CB C 28.520 0.000 1 422 . 48 ARG CG C 26.280 0.000 1 423 . 48 ARG CD C 42.690 0.000 1 424 . 49 THR H H 7.500 0.000 1 425 . 49 THR HA H 3.960 0.000 1 426 . 49 THR HB H 4.340 0.000 1 427 . 49 THR HG2 H 1.260 0.000 1 428 . 49 THR CA C 65.808 0.000 1 429 . 49 THR CB C 68.418 0.000 1 430 . 49 THR CG2 C 21.800 0.000 1 431 . 49 THR N N 114.320 0.000 1 432 . 50 MET H H 7.890 0.000 1 433 . 50 MET HA H 4.510 0.000 1 434 . 50 MET HB2 H 2.240 0.000 2 435 . 50 MET HB3 H 1.890 0.000 2 436 . 50 MET HG2 H 2.620 0.000 2 437 . 50 MET HG3 H 2.450 0.000 2 438 . 50 MET HE H 1.700 0.000 1 439 . 50 MET C C 178.630 0.000 1 440 . 50 MET CA C 56.478 0.000 1 441 . 50 MET CB C 31.870 0.000 1 442 . 50 MET CG C 34.110 0.000 1 443 . 50 MET CE C 18.080 0.000 1 444 . 51 LYS H H 9.260 0.000 1 445 . 51 LYS HA H 3.860 0.000 1 446 . 51 LYS HB2 H 2.080 0.000 2 447 . 51 LYS HB3 H 1.820 0.000 2 448 . 51 LYS HG2 H 2.060 0.000 2 449 . 51 LYS HG3 H 1.190 0.000 2 450 . 51 LYS HD2 H 1.690 0.000 2 451 . 51 LYS HD3 H 1.570 0.000 2 452 . 51 LYS HE2 H 3.250 0.000 2 453 . 51 LYS C C 179.020 0.000 1 454 . 51 LYS CA C 60.958 0.000 1 455 . 51 LYS N N 122.530 0.000 1 456 . 52 ASN H H 8.110 0.000 1 457 . 52 ASN HA H 4.590 0.000 1 458 . 52 ASN HB2 H 3.200 0.000 2 459 . 52 ASN HB3 H 2.950 0.000 2 460 . 52 ASN C C 179.170 0.000 1 461 . 52 ASN CA C 55.738 0.000 1 462 . 52 ASN CB C 37.090 0.000 1 463 . 52 ASN N N 117.340 0.000 1 464 . 53 VAL H H 8.090 0.000 1 465 . 53 VAL HA H 3.780 0.000 1 466 . 53 VAL HB H 2.440 0.000 1 467 . 53 VAL HG1 H 1.010 0.000 2 468 . 53 VAL HG2 H 1.250 0.000 2 469 . 53 VAL C C 177.800 0.000 1 470 . 53 VAL CA C 66.918 0.000 1 471 . 53 VAL CB C 31.500 0.000 1 472 . 53 VAL CG1 C 21.060 0.000 1 473 . 53 VAL CG2 C 23.670 0.000 1 474 . 53 VAL N N 124.040 0.000 1 475 . 54 LEU H H 8.700 0.000 1 476 . 54 LEU HA H 4.100 0.000 1 477 . 54 LEU HB2 H 2.050 0.000 2 478 . 54 LEU HB3 H 1.600 0.000 2 479 . 54 LEU HG H 1.850 0.000 1 480 . 54 LEU HD1 H 0.890 0.000 1 481 . 54 LEU HD2 H 0.890 0.000 1 482 . 54 LEU C C 179.790 0.000 1 483 . 54 LEU CA C 57.968 0.000 1 484 . 54 LEU CB C 41.570 0.000 1 485 . 54 LEU CG C 26.650 0.000 1 486 . 54 LEU CD1 C 25.910 0.000 1 487 . 54 LEU CD2 C 23.300 0.000 1 488 . 54 LEU N N 121.450 0.000 1 489 . 55 ASN H H 8.230 0.000 1 490 . 55 ASN HA H 4.530 0.000 1 491 . 55 ASN HB2 H 2.960 0.000 1 492 . 55 ASN C C 178.090 0.000 1 493 . 55 ASN CA C 55.738 0.000 1 494 . 55 ASN CB C 38.210 0.000 1 495 . 55 ASN N N 116.910 0.000 1 496 . 56 HIS H H 8.170 0.000 1 497 . 56 HIS HA H 4.370 0.000 1 498 . 56 HIS HB2 H 3.640 0.000 2 499 . 56 HIS HB3 H 3.420 0.000 2 500 . 56 HIS HD2 H 7.330 0.000 1 501 . 56 HIS HE1 H 8.030 0.000 1 502 . 56 HIS C C 177.540 0.000 1 503 . 56 HIS CA C 59.468 0.000 1 504 . 56 HIS CB C 27.400 0.000 1 505 . 56 HIS N N 120.800 0.000 1 506 . 57 MET H H 9.160 0.000 1 507 . 57 MET HA H 3.720 0.000 1 508 . 57 MET HB2 H 2.440 0.000 2 509 . 57 MET HB3 H 2.180 0.000 2 510 . 57 MET HG2 H 2.960 0.000 1 511 . 57 MET HE H 2.000 0.000 1 512 . 57 MET C C 178.090 0.000 1 513 . 57 MET CA C 59.088 0.000 1 514 . 57 MET CB C 34.110 0.000 1 515 . 57 MET CG C 31.870 0.000 1 516 . 57 MET CE C 16.580 0.000 1 517 . 57 MET N N 119.290 0.000 1 518 . 58 THR H H 7.540 0.000 1 519 . 58 THR HA H 3.940 0.000 1 520 . 58 THR HB H 4.060 0.000 1 521 . 58 THR HG2 H 1.170 0.000 1 522 . 58 THR C C 174.750 0.000 1 523 . 58 THR CA C 64.688 0.000 1 524 . 58 THR CB C 68.788 0.000 1 525 . 58 THR CG2 C 21.800 0.000 1 526 . 58 THR N N 110.220 0.000 1 527 . 59 HIS H H 7.120 0.000 1 528 . 59 HIS HA H 4.870 0.000 1 529 . 59 HIS HB2 H 3.410 0.000 2 530 . 59 HIS HB3 H 3.080 0.000 2 531 . 59 HIS C C 173.190 0.000 1 532 . 59 HIS CA C 54.248 0.000 1 533 . 59 HIS CB C 29.640 0.000 1 534 . 59 HIS N N 115.400 0.000 1 535 . 60 CYS H H 7.120 0.000 1 536 . 60 CYS HA H 4.080 0.000 1 537 . 60 CYS HB2 H 2.520 0.000 2 538 . 60 CYS HB3 H 1.970 0.000 2 539 . 60 CYS C C 176.690 0.000 1 540 . 60 CYS CA C 60.588 0.000 1 541 . 60 CYS CB C 29.640 0.000 1 542 . 60 CYS N N 124.040 0.000 1 543 . 61 GLN H H 9.140 0.000 1 544 . 61 GLN HA H 4.720 0.000 1 545 . 61 GLN HB2 H 2.470 0.000 2 546 . 61 GLN HB3 H 1.920 0.000 2 547 . 61 GLN HG2 H 2.420 0.000 1 548 . 61 GLN C C 176.760 0.000 1 549 . 61 GLN CA C 54.988 0.000 1 550 . 61 GLN CB C 29.260 0.000 1 551 . 61 GLN CG C 33.740 0.000 1 552 . 61 GLN N N 128.790 0.000 1 553 . 62 SER H H 8.810 0.000 1 554 . 62 SER HA H 4.520 0.000 1 555 . 62 SER HB2 H 3.840 0.000 2 556 . 62 SER HB3 H 3.770 0.000 2 557 . 62 SER C C 174.590 0.000 1 558 . 62 SER CA C 59.838 0.000 1 559 . 62 SER CB C 63.198 0.000 1 560 . 62 SER N N 118.640 0.000 1 561 . 63 GLY H H 8.280 0.000 1 562 . 63 GLY HA2 H 3.960 0.000 1 563 . 63 GLY HA3 H 3.620 0.000 1 564 . 63 GLY C C 176.220 0.000 1 565 . 63 GLY CA C 46.040 0.000 1 566 . 63 GLY N N 110.430 0.000 1 567 . 64 LYS H H 8.970 0.000 1 568 . 64 LYS HA H 4.090 0.000 1 569 . 64 LYS HB2 H 1.890 0.000 1 570 . 64 LYS HG2 H 1.480 0.000 1 571 . 64 LYS HD2 H 1.710 0.000 1 572 . 64 LYS HE2 H 3.000 0.000 1 573 . 64 LYS C C 176.500 0.000 1 574 . 64 LYS CA C 58.348 0.000 1 575 . 64 LYS CB C 32.240 0.000 1 576 . 64 LYS CG C 25.160 0.000 1 577 . 64 LYS CD C 29.640 0.000 1 578 . 64 LYS CE C 41.940 0.000 1 579 . 64 LYS N N 125.330 0.000 1 580 . 65 SER H H 7.860 0.000 1 581 . 65 SER HA H 4.560 0.000 1 582 . 65 SER HB2 H 4.000 0.000 1 583 . 65 SER C C 173.740 0.000 1 584 . 65 SER CA C 57.968 0.000 1 585 . 65 SER CB C 63.198 0.000 1 586 . 65 SER N N 112.810 0.000 1 587 . 66 CYS H H 7.500 0.000 1 588 . 66 CYS HA H 3.960 0.000 1 589 . 66 CYS HB2 H 2.880 0.000 2 590 . 66 CYS HB3 H 2.750 0.000 2 591 . 66 CYS C C 177.070 0.000 1 592 . 66 CYS CA C 61.698 0.000 1 593 . 66 CYS CB C 29.640 0.000 1 594 . 66 CYS N N 124.250 0.000 1 595 . 67 GLN H H 9.090 0.000 1 596 . 67 GLN HA H 4.540 0.000 1 597 . 67 GLN HB2 H 1.930 0.000 1 598 . 67 GLN HG2 H 2.460 0.000 1 599 . 67 GLN C C 175.830 0.000 1 600 . 67 GLN CA C 55.358 0.000 1 601 . 67 GLN CB C 29.260 0.000 1 602 . 67 GLN CG C 34.110 0.000 1 603 . 67 GLN N N 129.220 0.000 1 604 . 68 VAL H H 9.270 0.000 1 605 . 68 VAL HA H 3.690 0.000 1 606 . 68 VAL HB H 1.940 0.000 1 607 . 68 VAL HG1 H 0.470 0.000 2 608 . 68 VAL HG2 H 0.640 0.000 2 609 . 68 VAL C C 176.920 0.000 1 610 . 68 VAL CA C 63.938 0.000 1 611 . 68 VAL CB C 30.750 0.000 1 612 . 68 VAL CG1 C 19.940 0.000 1 613 . 68 VAL CG2 C 22.550 0.000 1 614 . 68 VAL N N 127.060 0.000 1 615 . 69 ALA H H 8.660 0.000 1 616 . 69 ALA HA H 3.690 0.000 1 617 . 69 ALA HB H 0.930 0.000 1 618 . 69 ALA CA C 53.868 0.000 1 619 . 69 ALA CB C 17.700 0.000 1 620 . 69 ALA N N 106.550 0.000 1 621 . 70 HIS H H 8.020 0.000 1 622 . 70 HIS HA H 4.400 0.000 1 623 . 70 HIS HB2 H 3.680 0.000 2 624 . 70 HIS HB3 H 2.880 0.000 2 625 . 70 HIS C C 175.750 0.000 1 626 . 70 HIS CA C 56.478 0.000 1 627 . 70 HIS CB C 28.890 0.000 1 628 . 71 CYS H H 8.050 0.000 1 629 . 71 CYS HA H 4.130 0.000 1 630 . 71 CYS HB2 H 3.320 0.000 2 631 . 71 CYS HB3 H 2.550 0.000 2 632 . 71 CYS C C 175.370 0.000 1 633 . 71 CYS CA C 63.938 0.000 1 634 . 71 CYS CB C 30.010 0.000 1 635 . 71 CYS N N 126.840 0.000 1 636 . 72 ALA H H 8.880 0.000 1 637 . 72 ALA HA H 4.190 0.000 1 638 . 72 ALA HB H 1.310 0.000 1 639 . 72 ALA C C 182.120 0.000 1 640 . 72 ALA CA C 54.988 0.000 1 641 . 72 ALA CB C 17.330 0.000 1 642 . 72 ALA N N 119.290 0.000 1 643 . 73 SER H H 9.320 0.000 1 644 . 73 SER HA H 4.170 0.000 1 645 . 73 SER HB2 H 4.060 0.000 1 646 . 73 SER C C 175.440 0.000 1 647 . 73 SER N N 114.320 0.000 1 648 . 74 SER H H 7.830 0.000 1 649 . 74 SER HA H 4.060 0.000 1 650 . 74 SER HB2 H 4.460 0.000 2 651 . 74 SER HB3 H 3.610 0.000 2 652 . 74 SER HG H 5.590 0.000 1 653 . 74 SER C C 175.370 0.000 1 654 . 74 SER CA C 63.568 0.000 1 655 . 74 SER CB C 62.078 0.000 1 656 . 74 SER N N 120.800 0.000 1 657 . 75 ARG H H 8.900 0.000 1 658 . 75 ARG HA H 3.820 0.000 1 659 . 75 ARG HB2 H 2.100 0.000 2 660 . 75 ARG HB3 H 2.040 0.000 2 661 . 75 ARG HG2 H 1.860 0.000 2 662 . 75 ARG HG3 H 1.580 0.000 2 663 . 75 ARG HD2 H 3.310 0.000 2 664 . 75 ARG HD3 H 3.110 0.000 2 665 . 75 ARG C C 179.560 0.000 1 666 . 75 ARG CA C 59.838 0.000 1 667 . 75 ARG CG C 27.400 0.000 1 668 . 75 ARG CD C 43.430 0.000 1 669 . 75 ARG N N 122.740 0.000 1 670 . 76 GLN H H 7.890 0.000 1 671 . 76 GLN HA H 4.120 0.000 1 672 . 76 GLN HB2 H 2.180 0.000 2 673 . 76 GLN HB3 H 1.900 0.000 2 674 . 76 GLN HG2 H 2.430 0.000 2 675 . 76 GLN HG3 H 2.320 0.000 2 676 . 76 GLN C C 178.940 0.000 1 677 . 76 GLN CG C 34.480 0.000 1 678 . 76 GLN N N 118.420 0.000 1 679 . 77 ILE H H 8.590 0.000 1 680 . 77 ILE HA H 3.680 0.000 1 681 . 77 ILE HB H 1.880 0.000 1 682 . 77 ILE HG12 H 0.940 0.000 1 683 . 77 ILE HG13 H 0.940 0.000 1 684 . 77 ILE HG2 H 0.900 0.000 1 685 . 77 ILE HD1 H 0.830 0.000 1 686 . 77 ILE C C 177.460 0.000 1 687 . 77 ILE CA C 66.178 0.000 1 688 . 77 ILE CB C 38.580 0.000 1 689 . 77 ILE CG1 C 30.380 0.000 1 690 . 77 ILE CG2 C 18.820 0.000 1 691 . 77 ILE CD1 C 13.970 0.000 1 692 . 77 ILE N N 121.660 0.000 1 693 . 78 ILE H H 8.860 0.000 1 694 . 78 ILE HA H 3.830 0.000 1 695 . 78 ILE HB H 1.990 0.000 1 696 . 78 ILE HG12 H 1.690 0.000 2 697 . 78 ILE HG13 H 1.150 0.000 2 698 . 78 ILE HG2 H 0.970 0.000 1 699 . 78 ILE HD1 H 0.730 0.000 1 700 . 78 ILE C C 177.620 0.000 1 701 . 78 ILE CA C 64.308 0.000 1 702 . 78 ILE CB C 37.090 0.000 1 703 . 78 ILE CG1 C 29.260 0.000 1 704 . 78 ILE CG2 C 17.700 0.000 1 705 . 78 ILE CD1 C 12.480 0.000 1 706 . 78 ILE N N 119.930 0.000 1 707 . 79 SER H H 8.040 0.000 1 708 . 79 SER HA H 4.110 0.000 1 709 . 79 SER HB2 H 4.010 0.000 2 710 . 79 SER HB3 H 3.960 0.000 2 711 . 79 SER C C 176.760 0.000 1 712 . 79 SER CA C 61.698 0.000 1 713 . 79 SER CB C 62.448 0.000 1 714 . 79 SER N N 114.320 0.000 1 715 . 80 HIS H H 8.550 0.000 1 716 . 80 HIS HA H 4.060 0.000 1 717 . 80 HIS HB2 H 3.310 0.000 2 718 . 80 HIS HB3 H 2.840 0.000 2 719 . 80 HIS HD2 H 6.590 0.000 1 720 . 80 HIS HE1 H 8.140 0.000 1 721 . 80 HIS C C 177.390 0.000 1 722 . 80 HIS CA C 60.208 0.000 1 723 . 80 HIS CB C 27.770 0.000 1 724 . 80 HIS N N 118.420 0.000 1 725 . 81 TRP H H 8.540 0.000 1 726 . 81 TRP HA H 4.280 0.000 1 727 . 81 TRP HB2 H 3.480 0.000 2 728 . 81 TRP HB3 H 3.410 0.000 2 729 . 81 TRP HD1 H 7.190 0.000 1 730 . 81 TRP HE1 H 10.180 0.000 1 731 . 81 TRP HE3 H 7.990 0.000 1 732 . 81 TRP HZ2 H 7.300 0.000 1 733 . 81 TRP HZ3 H 7.050 0.000 1 734 . 81 TRP HH2 H 7.040 0.000 1 735 . 81 TRP C C 178.090 0.000 1 736 . 81 TRP CA C 59.838 0.000 1 737 . 81 TRP CB C 29.260 0.000 1 738 . 81 TRP N N 119.500 0.000 1 739 . 81 TRP NE1 N 129.000 0.000 1 740 . 82 LYS H H 8.480 0.000 1 741 . 82 LYS HA H 3.490 0.000 1 742 . 82 LYS HB2 H 1.770 0.000 1 743 . 82 LYS HG2 H 1.470 0.000 1 744 . 82 LYS HD2 H 1.670 0.000 1 745 . 82 LYS HE2 H 2.960 0.000 1 746 . 82 LYS C C 177.230 0.000 1 747 . 82 LYS CA C 58.348 0.000 1 748 . 82 LYS CB C 32.990 0.000 1 749 . 82 LYS CG C 25.160 0.000 1 750 . 82 LYS CD C 29.260 0.000 1 751 . 82 LYS CE C 41.940 0.000 1 752 . 82 LYS N N 115.610 0.000 1 753 . 83 ASN H H 7.130 0.000 1 754 . 83 ASN HA H 4.640 0.000 1 755 . 83 ASN HB2 H 2.660 0.000 2 756 . 83 ASN HB3 H 2.500 0.000 2 757 . 83 ASN C C 173.970 0.000 1 758 . 83 ASN CA C 52.758 0.000 1 759 . 83 ASN CB C 40.820 0.000 1 760 . 83 ASN N N 113.670 0.000 1 761 . 84 CYS H H 7.380 0.000 1 762 . 84 CYS HA H 3.980 0.000 1 763 . 84 CYS HB2 H 2.700 0.000 2 764 . 84 CYS HB3 H 1.960 0.000 2 765 . 84 CYS C C 176.650 0.000 1 766 . 84 CYS CA C 60.958 0.000 1 767 . 84 CYS CB C 28.140 0.000 1 768 . 84 CYS N N 124.470 0.000 1 769 . 85 THR H H 8.550 0.000 1 770 . 85 THR HA H 4.440 0.000 1 771 . 85 THR HB H 4.480 0.000 1 772 . 85 THR HG2 H 1.100 0.000 1 773 . 85 THR CA C 60.588 0.000 1 774 . 85 THR CB C 69.158 0.000 1 775 . 85 THR CG2 C 20.690 0.000 1 776 . 85 THR N N 119.070 0.000 1 777 . 86 ARG HA H 4.330 0.000 1 778 . 87 HIS HA H 4.360 0.000 1 779 . 87 HIS HB2 H 3.230 0.000 1 780 . 87 HIS C C 174.420 0.000 1 781 . 87 HIS CA C 57.968 0.000 1 782 . 87 HIS CB C 28.520 0.000 1 783 . 88 ASP H H 8.300 0.000 1 784 . 88 ASP HA H 4.500 0.000 1 785 . 88 ASP HB2 H 2.830 0.000 2 786 . 88 ASP HB3 H 2.370 0.000 2 787 . 88 ASP C C 174.980 0.000 1 788 . 88 ASP CA C 52.008 0.000 1 789 . 88 ASP CB C 39.330 0.000 1 790 . 88 ASP N N 116.480 0.000 1 791 . 89 CYS H H 7.100 0.000 1 792 . 89 CYS HA H 4.260 0.000 1 793 . 89 CYS HB2 H 2.820 0.000 1 794 . 89 CYS CA C 56.858 0.000 1 795 . 89 CYS CB C 30.010 0.000 1 796 . 89 CYS N N 122.530 0.000 1 797 . 90 PRO HA H 4.370 0.000 1 798 . 90 PRO HB2 H 2.330 0.000 2 799 . 90 PRO HB3 H 1.770 0.000 2 800 . 90 PRO HD2 H 3.950 0.000 1 801 . 90 PRO C C 178.010 0.000 1 802 . 90 PRO CA C 64.308 0.000 1 803 . 90 PRO CB C 32.620 0.000 1 804 . 90 PRO CD C 50.890 0.000 1 805 . 91 VAL H H 8.420 0.000 1 806 . 91 VAL HA H 3.780 0.000 1 807 . 91 VAL HB H 2.160 0.000 1 808 . 91 VAL HG1 H 0.930 0.000 2 809 . 91 VAL HG2 H 0.820 0.000 2 810 . 91 VAL C C 176.530 0.000 1 811 . 91 VAL CA C 65.808 0.000 1 812 . 91 VAL CB C 32.990 0.000 1 813 . 91 VAL CG1 C 21.430 0.000 1 814 . 91 VAL CG2 C 22.550 0.000 1 815 . 91 VAL N N 119.720 0.000 1 816 . 92 CYS H H 8.460 0.000 1 817 . 92 CYS HA H 4.200 0.000 1 818 . 92 CYS HB2 H 3.220 0.000 2 819 . 92 CYS HB3 H 2.900 0.000 2 820 . 92 CYS C C 177.310 0.000 1 821 . 92 CYS CA C 62.818 0.000 1 822 . 92 CYS N N 118.850 0.000 1 823 . 93 LEU H H 7.750 0.000 1 824 . 93 LEU HA H 4.180 0.000 1 825 . 93 LEU HB2 H 1.870 0.000 2 826 . 93 LEU HB3 H 1.670 0.000 2 827 . 93 LEU HG H 1.610 0.000 1 828 . 93 LEU HD1 H 0.860 0.000 1 829 . 93 LEU HD2 H 0.860 0.000 1 830 . 93 LEU CA C 60.208 0.000 1 831 . 93 LEU CB C 39.700 0.000 1 832 . 93 LEU CG C 27.020 0.000 1 833 . 93 LEU CD1 C 25.160 0.000 1 834 . 93 LEU CD2 C 23.300 0.000 1 835 . 93 LEU N N 119.930 0.000 1 836 . 94 PRO HA H 4.410 0.000 1 837 . 94 PRO HB2 H 2.390 0.000 2 838 . 94 PRO HB3 H 1.650 0.000 2 839 . 94 PRO HG2 H 1.980 0.000 2 840 . 94 PRO HG3 H 1.820 0.000 2 841 . 94 PRO HD2 H 3.570 0.000 1 842 . 94 PRO CA C 65.058 0.000 1 843 . 94 PRO CB C 31.130 0.000 1 844 . 94 PRO CG C 28.140 0.000 1 845 . 94 PRO CD C 49.770 0.000 1 846 . 95 LEU H H 7.710 0.000 1 847 . 95 LEU HA H 4.290 0.000 1 848 . 95 LEU HB2 H 2.120 0.000 2 849 . 95 LEU HB3 H 1.850 0.000 2 850 . 95 LEU HG H 1.530 0.000 1 851 . 95 LEU HD1 H 0.820 0.000 2 852 . 95 LEU HD2 H 0.720 0.000 2 853 . 95 LEU C C 177.620 0.000 1 854 . 95 LEU CA C 55.358 0.000 1 855 . 95 LEU CB C 42.690 0.000 1 856 . 95 LEU CG C 28.140 0.000 1 857 . 95 LEU CD1 C 25.530 0.000 1 858 . 95 LEU CD2 C 24.410 0.000 1 859 . 96 LYS H H 7.910 0.000 1 860 . 96 LYS HA H 4.330 0.000 1 861 . 96 LYS HB2 H 1.950 0.000 2 862 . 96 LYS HB3 H 1.890 0.000 2 863 . 96 LYS HG2 H 1.560 0.000 2 864 . 96 LYS HG3 H 1.450 0.000 2 865 . 96 LYS HD2 H 1.720 0.000 2 866 . 96 LYS HD3 H 1.590 0.000 2 867 . 96 LYS HE2 H 2.780 0.000 2 868 . 96 LYS HE3 H 2.680 0.000 2 869 . 96 LYS C C 177.310 0.000 1 870 . 96 LYS CA C 57.228 0.000 1 871 . 96 LYS CB C 32.990 0.000 1 872 . 96 LYS CG C 25.160 0.000 1 873 . 96 LYS CD C 28.890 0.000 1 874 . 96 LYS CE C 41.940 0.000 1 875 . 96 LYS N N 119.290 0.000 1 876 . 97 ASN H H 8.370 0.000 1 877 . 97 ASN HA H 4.760 0.000 1 878 . 97 ASN HB2 H 2.900 0.000 2 879 . 97 ASN HB3 H 2.750 0.000 2 880 . 97 ASN C C 175.510 0.000 1 881 . 97 ASN CA C 53.128 0.000 1 882 . 97 ASN CB C 38.960 0.000 1 883 . 97 ASN N N 117.990 0.000 1 884 . 98 ALA H H 8.030 0.000 1 885 . 98 ALA HA H 4.280 0.000 1 886 . 98 ALA HB H 1.320 0.000 1 887 . 98 ALA C C 177.930 0.000 1 888 . 98 ALA CA C 52.758 0.000 1 889 . 98 ALA CB C 19.190 0.000 1 890 . 98 ALA N N 123.390 0.000 1 891 . 99 GLY H H 8.290 0.000 1 892 . 99 GLY C C 173.740 0.000 1 893 . 99 GLY CA C 45.300 0.000 1 894 . 99 GLY N N 106.550 0.000 1 895 . 100 ASP H H 8.150 0.000 1 896 . 100 ASP HA H 4.670 0.000 1 897 . 100 ASP HB2 H 2.750 0.000 2 898 . 100 ASP HB3 H 2.630 0.000 2 899 . 100 ASP C C 175.210 0.000 1 900 . 100 ASP CA C 53.868 0.000 1 901 . 100 ASP CB C 41.190 0.000 1 902 . 100 ASP N N 120.580 0.000 1 903 . 101 LYS H H 7.840 0.000 1 904 . 101 LYS HA H 4.140 0.000 1 905 . 101 LYS HB2 H 1.820 0.000 2 906 . 101 LYS HB3 H 1.700 0.000 2 907 . 101 LYS HG2 H 1.380 0.000 1 908 . 101 LYS HD2 H 1.640 0.000 1 909 . 101 LYS HE2 H 2.960 0.000 1 910 . 101 LYS CA C 57.228 0.000 1 911 . 101 LYS CB C 33.740 0.000 1 912 . 101 LYS CG C 24.410 0.000 1 913 . 101 LYS CD C 28.890 0.000 1 914 . 101 LYS CE C 41.940 0.000 1 915 . 101 LYS N N 125.980 0.000 1 stop_ save_