data_25484 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Characterization of the p300 Taz2-p53 TAD2 Complex and Comparison with the p300 Taz2-p53 TAD1 Complex ; _BMRB_accession_number 25484 _BMRB_flat_file_name bmr25484.str _Entry_type original _Submission_date 2015-02-11 _Accession_date 2015-02-11 _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 'Miller Jenkins' Lisa M. . 2 Feng Hanqiao . . 3 Durell Stewart R. . 4 Tagad Harichandra D. . 5 Mazur Sharlyn J. . 6 Tropea Joseph E. . 7 Bai Yawen . . 8 Appella Ettore . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 627 "13C chemical shifts" 442 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-01-20 update BMRB 'update entry citation' 2015-03-23 original author 'original release' stop_ _Original_release_date 2016-01-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Characterization of the p300 Taz2-p53 TAD2 Complex and Comparison with the p300 Taz2-p53 TAD1 Complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25753752 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Miller Jenkins' Lisa M. . 2 Feng Hanqiao . . 3 Durell Stewart R. . 4 Tagad Harichandra D. . 5 Mazur Sharlyn J. . 6 Tropea Joseph E. . 7 Bai Yawen . . 8 Appella Ettore . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 54 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2001 _Page_last 2010 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'p300 Taz2-p53 TAD2 Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $Taz2_domain_of_Histone_Acetyltransferase_p300 entity_2 $TAD2_sub-domain_of_Cellular_Tumor_Antigen_p53 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Taz2_domain_of_Histone_Acetyltransferase_p300 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Taz2_domain_of_Histone_Acetyltransferase_p300 _Molecular_mass 9963.838 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; ATQSPGDSRRLSIQRAIQSL VHAAQCRNANCSLPSCQKMK RVVQHTKGCKRKTNGGCPIC KQLIALAAYHAKHCQENKCP VPFCLNIKQK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 THR 3 GLN 4 SER 5 PRO 6 GLY 7 ASP 8 SER 9 ARG 10 ARG 11 LEU 12 SER 13 ILE 14 GLN 15 ARG 16 ALA 17 ILE 18 GLN 19 SER 20 LEU 21 VAL 22 HIS 23 ALA 24 ALA 25 GLN 26 CYS 27 ARG 28 ASN 29 ALA 30 ASN 31 CYS 32 SER 33 LEU 34 PRO 35 SER 36 CYS 37 GLN 38 LYS 39 MET 40 LYS 41 ARG 42 VAL 43 VAL 44 GLN 45 HIS 46 THR 47 LYS 48 GLY 49 CYS 50 LYS 51 ARG 52 LYS 53 THR 54 ASN 55 GLY 56 GLY 57 CYS 58 PRO 59 ILE 60 CYS 61 LYS 62 GLN 63 LEU 64 ILE 65 ALA 66 LEU 67 ALA 68 ALA 69 TYR 70 HIS 71 ALA 72 LYS 73 HIS 74 CYS 75 GLN 76 GLU 77 ASN 78 LYS 79 CYS 80 PRO 81 VAL 82 PRO 83 PHE 84 CYS 85 LEU 86 ASN 87 ILE 88 LYS 89 GLN 90 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_TAD2_sub-domain_of_Cellular_Tumor_Antigen_p53 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TAD2_sub-domain_of_Cellular_Tumor_Antigen_p53 _Molecular_mass 2851.098 _Mol_thiol_state 'not present' _Details . _Residue_count 25 _Mol_residue_sequence ; LPSQAMDDLMLSPDDIEQWF TEDPG ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 PRO 3 SER 4 GLN 5 ALA 6 MET 7 ASP 8 ASP 9 LEU 10 MET 11 LEU 12 SER 13 PRO 14 ASP 15 ASP 16 ILE 17 GLU 18 GLN 19 TRP 20 PHE 21 THR 22 GLU 23 ASP 24 PRO 25 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Taz2_domain_of_Histone_Acetyltransferase_p300 . . . . Homo sapiens $TAD2_sub-domain_of_Cellular_Tumor_Antigen_p53 . . . . Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Taz2_domain_of_Histone_Acetyltransferase_p300 'recombinant technology' . Escherichia coli . pJT57 $TAD2_sub-domain_of_Cellular_Tumor_Antigen_p53 'recombinant technology' . Escherichia coli . pGEX4T-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Taz2_domain_of_Histone_Acetyltransferase_p300 1.1 mM 'natural abundance' $TAD2_sub-domain_of_Cellular_Tumor_Antigen_p53 1.0 mM '[U-100% 13C; U-100% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Taz2_domain_of_Histone_Acetyltransferase_p300 1.0 mM '[U-100% 15N]' $TAD2_sub-domain_of_Cellular_Tumor_Antigen_p53 1.1 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Taz2_domain_of_Histone_Acetyltransferase_p300 1.0 mM '[U-100% 13C; U-100% 15N]' $TAD2_sub-domain_of_Cellular_Tumor_Antigen_p53 1.1 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Taz2_domain_of_Histone_Acetyltransferase_p300 1.0 mM 'natural abundance' $TAD2_sub-domain_of_Cellular_Tumor_Antigen_p53 1.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'Equipped with pulsed-field gradient units and triple resonance probes.' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 700 _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_2 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _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' 200 . mM pH 6.3 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HNHA' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 THR HA H 4.415 0.04 1 2 2 2 THR HB H 4.220 0.04 1 3 2 2 THR HG2 H 1.269 0.04 1 4 2 2 THR C C 174.580 0.04 1 5 2 2 THR CA C 62.450 0.04 1 6 2 2 THR CB C 70.050 0.04 1 7 2 2 THR CG2 C 21.250 0.04 1 8 3 3 GLN H H 8.536 0.04 1 9 3 3 GLN HA H 4.480 0.04 1 10 3 3 GLN HB2 H 2.035 0.04 1 11 3 3 GLN HB3 H 2.135 0.04 1 12 3 3 GLN HG2 H 2.405 0.04 2 13 3 3 GLN HG3 H 2.405 0.04 2 14 3 3 GLN C C 176.040 0.04 1 15 3 3 GLN CA C 55.950 0.04 1 16 3 3 GLN CB C 30.550 0.04 1 17 3 3 GLN CG C 34.350 0.04 1 18 3 3 GLN N N 123.423 0.04 1 19 4 4 SER H H 8.150 0.04 1 20 4 4 SER HA H 4.834 0.04 1 21 4 4 SER HB2 H 3.937 0.04 2 22 4 4 SER HB3 H 3.937 0.04 2 23 4 4 SER C C 173.640 0.04 1 24 4 4 SER CA C 56.250 0.04 1 25 4 4 SER CB C 63.400 0.04 1 26 4 4 SER N N 119.390 0.04 1 27 5 5 PRO HA H 4.480 0.04 1 28 5 5 PRO HB2 H 2.020 0.04 1 29 5 5 PRO HB3 H 2.370 0.04 1 30 5 5 PRO HG2 H 2.070 0.04 1 31 5 5 PRO HG3 H 2.120 0.04 1 32 5 5 PRO HD2 H 3.830 0.04 1 33 5 5 PRO HD3 H 3.890 0.04 1 34 5 5 PRO C C 178.180 0.04 1 35 5 5 PRO CA C 64.040 0.04 1 36 5 5 PRO CB C 32.120 0.04 1 37 5 5 PRO CG C 27.350 0.04 1 38 5 5 PRO CD C 50.950 0.04 1 39 6 6 GLY H H 8.470 0.04 1 40 6 6 GLY HA2 H 4.010 0.04 2 41 6 6 GLY HA3 H 4.010 0.04 2 42 6 6 GLY C C 174.930 0.04 1 43 6 6 GLY CA C 45.750 0.04 1 44 6 6 GLY N N 108.600 0.04 1 45 7 7 ASP H H 8.130 0.04 1 46 7 7 ASP HA H 4.660 0.04 1 47 7 7 ASP HB2 H 2.772 0.04 2 48 7 7 ASP HB3 H 2.772 0.04 2 49 7 7 ASP C C 177.580 0.04 1 50 7 7 ASP CA C 55.200 0.04 1 51 7 7 ASP CB C 41.400 0.04 1 52 7 7 ASP N N 121.260 0.04 1 53 8 8 SER H H 8.372 0.04 1 54 8 8 SER HA H 4.340 0.04 1 55 8 8 SER HB2 H 4.010 0.04 2 56 8 8 SER HB3 H 4.010 0.04 2 57 8 8 SER C C 176.310 0.04 1 58 8 8 SER CA C 60.050 0.04 1 59 8 8 SER CB C 63.190 0.04 1 60 8 8 SER N N 116.818 0.04 1 61 9 9 ARG H H 8.308 0.04 1 62 9 9 ARG HA H 4.260 0.04 1 63 9 9 ARG HB2 H 1.915 0.04 2 64 9 9 ARG HB3 H 1.915 0.04 2 65 9 9 ARG HG2 H 1.692 0.04 1 66 9 9 ARG HG3 H 1.692 0.04 1 67 9 9 ARG HD2 H 3.222 0.04 1 68 9 9 ARG HD3 H 3.222 0.04 1 69 9 9 ARG C C 177.710 0.04 1 70 9 9 ARG CA C 58.050 0.04 1 71 9 9 ARG CB C 30.350 0.04 1 72 9 9 ARG CG C 27.350 0.04 1 73 9 9 ARG CD C 43.350 0.04 1 74 9 9 ARG N N 123.150 0.04 1 75 10 10 ARG H H 8.075 0.04 1 76 10 10 ARG HA H 4.110 0.04 1 77 10 10 ARG HB2 H 1.908 0.04 1 78 10 10 ARG HB3 H 1.908 0.04 1 79 10 10 ARG HG2 H 1.647 0.04 1 80 10 10 ARG HG3 H 1.647 0.04 1 81 10 10 ARG HD2 H 3.260 0.04 1 82 10 10 ARG HD3 H 3.260 0.04 1 83 10 10 ARG C C 178.180 0.04 1 84 10 10 ARG CA C 58.420 0.04 1 85 10 10 ARG CB C 30.260 0.04 1 86 10 10 ARG CG C 27.350 0.04 1 87 10 10 ARG CD C 43.150 0.04 1 88 10 10 ARG N N 119.940 0.04 1 89 11 11 LEU H H 8.160 0.04 1 90 11 11 LEU HA H 4.225 0.04 1 91 11 11 LEU HB2 H 1.652 0.04 1 92 11 11 LEU HB3 H 1.770 0.04 1 93 11 11 LEU HG H 1.690 0.04 1 94 11 11 LEU HD1 H 0.940 0.04 1 95 11 11 LEU HD2 H 0.915 0.04 1 96 11 11 LEU C C 179.950 0.04 1 97 11 11 LEU CA C 57.450 0.04 1 98 11 11 LEU CB C 41.910 0.04 1 99 11 11 LEU CG C 27.150 0.04 1 100 11 11 LEU CD1 C 24.850 0.04 1 101 11 11 LEU CD2 C 25.050 0.04 1 102 11 11 LEU N N 121.060 0.04 1 103 12 12 SER H H 8.179 0.04 1 104 12 12 SER HA H 4.317 0.04 1 105 12 12 SER HB2 H 3.980 0.04 1 106 12 12 SER HB3 H 4.080 0.04 1 107 12 12 SER C C 176.960 0.04 1 108 12 12 SER CA C 60.760 0.04 1 109 12 12 SER CB C 63.350 0.04 1 110 12 12 SER N N 116.470 0.04 1 111 13 13 ILE H H 8.130 0.04 1 112 13 13 ILE HA H 3.690 0.04 1 113 13 13 ILE HB H 1.785 0.04 1 114 13 13 ILE HG12 H 0.910 0.04 1 115 13 13 ILE HG13 H 1.507 0.04 1 116 13 13 ILE HG2 H 0.615 0.04 1 117 13 13 ILE HD1 H 0.608 0.04 1 118 13 13 ILE C C 177.660 0.04 1 119 13 13 ILE CA C 64.930 0.04 1 120 13 13 ILE CB C 37.650 0.04 1 121 13 13 ILE CG1 C 29.100 0.04 1 122 13 13 ILE CG2 C 17.450 0.04 1 123 13 13 ILE CD1 C 13.150 0.04 1 124 13 13 ILE N N 123.740 0.04 1 125 14 14 GLN H H 8.113 0.04 1 126 14 14 GLN HA H 4.040 0.04 1 127 14 14 GLN HB2 H 2.208 0.04 2 128 14 14 GLN HB3 H 2.208 0.04 2 129 14 14 GLN HG2 H 2.527 0.04 2 130 14 14 GLN HG3 H 2.527 0.04 2 131 14 14 GLN C C 179.490 0.04 1 132 14 14 GLN CA C 59.750 0.04 1 133 14 14 GLN CB C 27.730 0.04 1 134 14 14 GLN CG C 33.850 0.04 1 135 14 14 GLN N N 119.220 0.04 1 136 15 15 ARG H H 8.200 0.04 1 137 15 15 ARG HA H 4.150 0.04 1 138 15 15 ARG HB2 H 1.924 0.04 2 139 15 15 ARG HB3 H 1.924 0.04 2 140 15 15 ARG HG2 H 1.677 0.04 1 141 15 15 ARG HG3 H 1.677 0.04 1 142 15 15 ARG HD2 H 3.260 0.04 1 143 15 15 ARG HD3 H 3.260 0.04 1 144 15 15 ARG C C 179.460 0.04 1 145 15 15 ARG CA C 59.150 0.04 1 146 15 15 ARG CB C 30.090 0.04 1 147 15 15 ARG CG C 27.650 0.04 1 148 15 15 ARG CD C 43.650 0.04 1 149 15 15 ARG N N 119.160 0.04 1 150 16 16 ALA H H 8.071 0.04 1 151 16 16 ALA HA H 3.990 0.04 1 152 16 16 ALA HB H 1.438 0.04 1 153 16 16 ALA C C 180.230 0.04 1 154 16 16 ALA CA C 55.550 0.04 1 155 16 16 ALA CB C 18.750 0.04 1 156 16 16 ALA N N 124.140 0.04 1 157 17 17 ILE H H 8.534 0.04 1 158 17 17 ILE HA H 3.712 0.04 1 159 17 17 ILE HB H 2.125 0.04 1 160 17 17 ILE HG12 H 1.283 0.04 1 161 17 17 ILE HG13 H 1.918 0.04 1 162 17 17 ILE HG2 H 1.095 0.04 1 163 17 17 ILE HD1 H 0.975 0.04 1 164 17 17 ILE C C 178.210 0.04 1 165 17 17 ILE CA C 64.870 0.04 1 166 17 17 ILE CB C 37.640 0.04 1 167 17 17 ILE CG1 C 29.550 0.04 1 168 17 17 ILE CG2 C 18.650 0.04 1 169 17 17 ILE CD1 C 14.450 0.04 1 170 17 17 ILE N N 118.180 0.04 1 171 18 18 GLN H H 8.200 0.04 1 172 18 18 GLN HA H 4.134 0.04 1 173 18 18 GLN HB2 H 1.927 0.04 1 174 18 18 GLN HB3 H 2.230 0.04 1 175 18 18 GLN HG2 H 2.560 0.04 1 176 18 18 GLN HG3 H 2.550 0.04 1 177 18 18 GLN C C 180.050 0.04 1 178 18 18 GLN CA C 59.340 0.04 1 179 18 18 GLN CB C 28.030 0.04 1 180 18 18 GLN CG C 33.950 0.04 1 181 18 18 GLN N N 118.960 0.04 1 182 19 19 SER H H 8.190 0.04 1 183 19 19 SER HA H 4.388 0.04 1 184 19 19 SER HB2 H 3.937 0.04 1 185 19 19 SER HB3 H 4.120 0.04 1 186 19 19 SER C C 176.460 0.04 1 187 19 19 SER CA C 62.250 0.04 1 188 19 19 SER CB C 63.270 0.04 1 189 19 19 SER N N 116.320 0.04 1 190 20 20 LEU H H 8.290 0.04 1 191 20 20 LEU HA H 4.075 0.04 1 192 20 20 LEU HB2 H 1.735 0.04 1 193 20 20 LEU HB3 H 2.095 0.04 1 194 20 20 LEU HG H 1.547 0.04 1 195 20 20 LEU HD1 H 0.930 0.04 1 196 20 20 LEU HD2 H 0.883 0.04 1 197 20 20 LEU C C 177.640 0.04 1 198 20 20 LEU CA C 58.750 0.04 1 199 20 20 LEU CB C 42.390 0.04 1 200 20 20 LEU CG C 27.350 0.04 1 201 20 20 LEU CD1 C 25.550 0.04 1 202 20 20 LEU CD2 C 26.050 0.04 1 203 20 20 LEU N N 125.540 0.04 1 204 21 21 VAL H H 8.532 0.04 1 205 21 21 VAL HA H 3.356 0.04 1 206 21 21 VAL HB H 2.128 0.04 1 207 21 21 VAL HG1 H 0.965 0.04 1 208 21 21 VAL HG2 H 0.942 0.04 1 209 21 21 VAL C C 178.770 0.04 1 210 21 21 VAL CA C 66.850 0.04 1 211 21 21 VAL CB C 31.450 0.04 1 212 21 21 VAL CG1 C 23.580 0.04 1 213 21 21 VAL CG2 C 23.250 0.04 1 214 21 21 VAL N N 118.690 0.04 1 215 22 22 HIS H H 7.980 0.04 1 216 22 22 HIS HA H 4.230 0.04 1 217 22 22 HIS HB2 H 3.340 0.04 2 218 22 22 HIS HB3 H 3.340 0.04 2 219 22 22 HIS C C 178.420 0.04 1 220 22 22 HIS CA C 59.980 0.04 1 221 22 22 HIS CB C 27.830 0.04 1 222 22 22 HIS N N 116.230 0.04 1 223 23 23 ALA H H 8.640 0.04 1 224 23 23 ALA HA H 4.225 0.04 1 225 23 23 ALA HB H 1.580 0.04 1 226 23 23 ALA C C 179.540 0.04 1 227 23 23 ALA CA C 55.250 0.04 1 228 23 23 ALA CB C 19.550 0.04 1 229 23 23 ALA N N 121.520 0.04 1 230 24 24 ALA H H 8.260 0.04 1 231 24 24 ALA HA H 4.100 0.04 1 232 24 24 ALA HB H 1.430 0.04 1 233 24 24 ALA C C 178.130 0.04 1 234 24 24 ALA CA C 54.090 0.04 1 235 24 24 ALA CB C 18.750 0.04 1 236 24 24 ALA N N 116.860 0.04 1 237 25 25 GLN H H 7.260 0.04 1 238 25 25 GLN HA H 4.495 0.04 1 239 25 25 GLN HB2 H 2.030 0.04 1 240 25 25 GLN HB3 H 2.152 0.04 1 241 25 25 GLN HG2 H 2.303 0.04 1 242 25 25 GLN HG3 H 2.485 0.04 1 243 25 25 GLN C C 174.940 0.04 1 244 25 25 GLN CA C 54.650 0.04 1 245 25 25 GLN CB C 30.650 0.04 1 246 25 25 GLN CG C 33.450 0.04 1 247 25 25 GLN N N 112.450 0.04 1 248 26 26 CYS H H 7.365 0.04 1 249 26 26 CYS HA H 3.915 0.04 1 250 26 26 CYS HB2 H 2.090 0.04 1 251 26 26 CYS HB3 H 2.560 0.04 1 252 26 26 CYS C C 176.690 0.04 1 253 26 26 CYS CA C 60.980 0.04 1 254 26 26 CYS CB C 29.350 0.04 1 255 26 26 CYS N N 124.510 0.04 1 256 27 27 ARG H H 8.880 0.04 1 257 27 27 ARG HA H 4.635 0.04 1 258 27 27 ARG HB2 H 1.690 0.04 1 259 27 27 ARG HB3 H 2.158 0.04 1 260 27 27 ARG HG2 H 1.625 0.04 1 261 27 27 ARG HG3 H 1.680 0.04 1 262 27 27 ARG HD2 H 3.206 0.04 1 263 27 27 ARG HD3 H 3.206 0.04 1 264 27 27 ARG C C 175.660 0.04 1 265 27 27 ARG CA C 54.550 0.04 1 266 27 27 ARG CB C 30.350 0.04 1 267 27 27 ARG CG C 26.550 0.04 1 268 27 27 ARG CD C 43.350 0.04 1 269 27 27 ARG N N 129.870 0.04 1 270 28 28 ASN H H 7.980 0.04 1 271 28 28 ASN HA H 4.870 0.04 1 272 28 28 ASN HB2 H 2.895 0.04 1 273 28 28 ASN HB3 H 2.985 0.04 1 274 28 28 ASN C C 176.120 0.04 1 275 28 28 ASN CA C 51.930 0.04 1 276 28 28 ASN CB C 39.060 0.04 1 277 28 28 ASN N N 120.810 0.04 1 278 29 29 ALA H H 9.134 0.04 1 279 29 29 ALA HA H 4.133 0.04 1 280 29 29 ALA HB H 1.459 0.04 1 281 29 29 ALA C C 178.380 0.04 1 282 29 29 ALA CA C 54.290 0.04 1 283 29 29 ALA CB C 18.370 0.04 1 284 29 29 ALA N N 130.470 0.04 1 285 30 30 ASN H H 8.114 0.04 1 286 30 30 ASN HA H 4.875 0.04 1 287 30 30 ASN HB2 H 2.630 0.04 1 288 30 30 ASN HB3 H 2.975 0.04 1 289 30 30 ASN C C 174.530 0.04 1 290 30 30 ASN CA C 51.930 0.04 1 291 30 30 ASN CB C 38.910 0.04 1 292 30 30 ASN N N 114.590 0.04 1 293 31 31 CYS H H 7.210 0.04 1 294 31 31 CYS HA H 4.050 0.04 1 295 31 31 CYS HB2 H 2.950 0.04 1 296 31 31 CYS HB3 H 3.045 0.04 1 297 31 31 CYS C C 177.170 0.04 1 298 31 31 CYS CA C 61.880 0.04 1 299 31 31 CYS CB C 30.010 0.04 1 300 31 31 CYS N N 123.270 0.04 1 301 32 32 SER H H 8.767 0.04 1 302 32 32 SER HA H 4.609 0.04 1 303 32 32 SER HB2 H 3.900 0.04 1 304 32 32 SER HB3 H 4.137 0.04 1 305 32 32 SER C C 175.020 0.04 1 306 32 32 SER CA C 58.010 0.04 1 307 32 32 SER CB C 64.120 0.04 1 308 32 32 SER N N 124.300 0.04 1 309 33 33 LEU H H 8.546 0.04 1 310 33 33 LEU HA H 4.538 0.04 1 311 33 33 LEU HB2 H 1.457 0.04 1 312 33 33 LEU HB3 H 1.627 0.04 1 313 33 33 LEU HG H 1.626 0.04 1 314 33 33 LEU HD1 H 0.580 0.04 1 315 33 33 LEU HD2 H 0.620 0.04 1 316 33 33 LEU C C 177.230 0.04 1 317 33 33 LEU CA C 54.450 0.04 1 318 33 33 LEU CB C 40.970 0.04 1 319 33 33 LEU CG C 27.350 0.04 1 320 33 33 LEU CD1 C 24.350 0.04 1 321 33 33 LEU CD2 C 23.350 0.04 1 322 33 33 LEU N N 128.860 0.04 1 323 34 34 PRO HA H 4.370 0.04 1 324 34 34 PRO HB2 H 2.059 0.04 1 325 34 34 PRO HB3 H 2.467 0.04 1 326 34 34 PRO HG2 H 2.140 0.04 2 327 34 34 PRO HG3 H 2.140 0.04 2 328 34 34 PRO HD2 H 3.850 0.04 1 329 34 34 PRO HD3 H 3.850 0.04 1 330 34 34 PRO C C 178.640 0.04 1 331 34 34 PRO CA C 65.530 0.04 1 332 34 34 PRO CB C 31.970 0.04 1 333 34 34 PRO CG C 27.950 0.04 1 334 34 34 PRO CD C 50.950 0.04 1 335 35 35 SER H H 8.350 0.04 1 336 35 35 SER HA H 4.127 0.04 1 337 35 35 SER HB2 H 3.945 0.04 1 338 35 35 SER HB3 H 3.945 0.04 1 339 35 35 SER C C 174.750 0.04 1 340 35 35 SER CA C 60.100 0.04 1 341 35 35 SER CB C 62.910 0.04 1 342 35 35 SER N N 111.940 0.04 1 343 36 36 CYS H H 7.490 0.04 1 344 36 36 CYS HA H 4.215 0.04 1 345 36 36 CYS HB2 H 2.795 0.04 1 346 36 36 CYS HB3 H 3.228 0.04 1 347 36 36 CYS C C 177.070 0.04 1 348 36 36 CYS CA C 63.900 0.04 1 349 36 36 CYS CB C 29.650 0.04 1 350 36 36 CYS N N 125.790 0.04 1 351 37 37 GLN H H 8.170 0.04 1 352 37 37 GLN HA H 4.010 0.04 1 353 37 37 GLN HB2 H 2.185 0.04 2 354 37 37 GLN HB3 H 2.185 0.04 2 355 37 37 GLN HG2 H 2.490 0.04 1 356 37 37 GLN HG3 H 2.550 0.04 1 357 37 37 GLN C C 179.690 0.04 1 358 37 37 GLN CA C 59.980 0.04 1 359 37 37 GLN CB C 27.820 0.04 1 360 37 37 GLN CG C 34.050 0.04 1 361 37 37 GLN N N 115.860 0.04 1 362 38 38 LYS H H 7.920 0.04 1 363 38 38 LYS HA H 4.060 0.04 1 364 38 38 LYS HB2 H 1.740 0.04 1 365 38 38 LYS HB3 H 1.830 0.04 1 366 38 38 LYS HG2 H 1.380 0.04 1 367 38 38 LYS HG3 H 1.520 0.04 1 368 38 38 LYS HD2 H 1.590 0.04 2 369 38 38 LYS HD3 H 1.590 0.04 2 370 38 38 LYS HE2 H 2.880 0.04 2 371 38 38 LYS HE3 H 2.880 0.04 2 372 38 38 LYS C C 179.230 0.04 1 373 38 38 LYS CA C 59.450 0.04 1 374 38 38 LYS CB C 32.650 0.04 1 375 38 38 LYS CG C 25.350 0.04 1 376 38 38 LYS CD C 29.350 0.04 1 377 38 38 LYS CE C 41.910 0.04 1 378 38 38 LYS N N 117.470 0.04 1 379 39 39 MET H H 8.370 0.04 1 380 39 39 MET HA H 4.559 0.04 1 381 39 39 MET HB2 H 1.928 0.04 1 382 39 39 MET HB3 H 2.354 0.04 1 383 39 39 MET HG2 H 2.590 0.04 1 384 39 39 MET HG3 H 2.754 0.04 1 385 39 39 MET C C 179.720 0.04 1 386 39 39 MET CA C 57.250 0.04 1 387 39 39 MET CB C 32.550 0.04 1 388 39 39 MET CG C 33.650 0.04 1 389 39 39 MET N N 118.050 0.04 1 390 40 40 LYS H H 9.490 0.04 1 391 40 40 LYS HA H 3.840 0.04 1 392 40 40 LYS HB2 H 1.999 0.04 1 393 40 40 LYS HB3 H 2.153 0.04 1 394 40 40 LYS HG2 H 1.418 0.04 2 395 40 40 LYS HG3 H 1.418 0.04 2 396 40 40 LYS HD2 H 1.702 0.04 2 397 40 40 LYS HD3 H 1.702 0.04 2 398 40 40 LYS HE2 H 3.150 0.04 1 399 40 40 LYS HE3 H 3.284 0.04 1 400 40 40 LYS C C 180.150 0.04 1 401 40 40 LYS CA C 61.520 0.04 1 402 40 40 LYS CB C 32.620 0.04 1 403 40 40 LYS CG C 27.350 0.04 1 404 40 40 LYS CD C 30.150 0.04 1 405 40 40 LYS CE C 43.350 0.04 1 406 40 40 LYS N N 121.630 0.04 1 407 41 41 ARG H H 7.610 0.04 1 408 41 41 ARG HA H 4.180 0.04 1 409 41 41 ARG HB2 H 2.040 0.04 1 410 41 41 ARG HB3 H 2.210 0.04 1 411 41 41 ARG HG2 H 1.780 0.04 1 412 41 41 ARG HG3 H 1.990 0.04 1 413 41 41 ARG HD2 H 3.294 0.04 1 414 41 41 ARG HD3 H 3.294 0.04 1 415 41 41 ARG C C 180.080 0.04 1 416 41 41 ARG CA C 59.750 0.04 1 417 41 41 ARG CB C 30.010 0.04 1 418 41 41 ARG CG C 27.650 0.04 1 419 41 41 ARG CD C 43.550 0.04 1 420 41 41 ARG N N 118.300 0.04 1 421 42 42 VAL H H 7.760 0.04 1 422 42 42 VAL HA H 3.745 0.04 1 423 42 42 VAL HB H 2.454 0.04 1 424 42 42 VAL HG1 H 1.116 0.04 1 425 42 42 VAL HG2 H 0.960 0.04 1 426 42 42 VAL C C 178.130 0.04 1 427 42 42 VAL CA C 66.760 0.04 1 428 42 42 VAL CB C 31.520 0.04 1 429 42 42 VAL CG1 C 22.860 0.04 1 430 42 42 VAL CG2 C 22.750 0.04 1 431 42 42 VAL N N 121.750 0.04 1 432 43 43 VAL H H 8.500 0.04 1 433 43 43 VAL HA H 3.531 0.04 1 434 43 43 VAL HB H 2.221 0.04 1 435 43 43 VAL HG1 H 0.958 0.04 1 436 43 43 VAL HG2 H 0.975 0.04 1 437 43 43 VAL C C 179.310 0.04 1 438 43 43 VAL CA C 67.120 0.04 1 439 43 43 VAL CB C 31.510 0.04 1 440 43 43 VAL CG1 C 21.750 0.04 1 441 43 43 VAL CG2 C 21.980 0.04 1 442 43 43 VAL N N 120.580 0.04 1 443 44 44 GLN H H 8.400 0.04 1 444 44 44 GLN HA H 4.010 0.04 1 445 44 44 GLN HB2 H 2.253 0.04 2 446 44 44 GLN HB3 H 2.253 0.04 2 447 44 44 GLN HG2 H 2.530 0.04 2 448 44 44 GLN HG3 H 2.530 0.04 2 449 44 44 GLN C C 179.330 0.04 1 450 44 44 GLN CA C 59.060 0.04 1 451 44 44 GLN CB C 28.030 0.04 1 452 44 44 GLN CG C 34.250 0.04 1 453 44 44 GLN N N 119.280 0.04 1 454 45 45 HIS H H 8.1900 0.04 1 455 45 45 HIS HA H 4.283 0.04 1 456 45 45 HIS HB2 H 3.380 0.04 2 457 45 45 HIS HB3 H 3.380 0.04 2 458 45 45 HIS C C 178.250 0.04 1 459 45 45 HIS CA C 59.950 0.04 1 460 45 45 HIS CB C 27.150 0.04 1 461 45 45 HIS N N 119.160 0.04 1 462 46 46 THR H H 7.980 0.04 1 463 46 46 THR HA H 3.859 0.04 1 464 46 46 THR HB H 4.225 0.04 1 465 46 46 THR HG2 H 1.669 0.04 1 466 46 46 THR C C 176.350 0.04 1 467 46 46 THR CA C 65.670 0.04 1 468 46 46 THR CB C 69.190 0.04 1 469 46 46 THR CG2 C 22.250 0.04 1 470 46 46 THR N N 111.110 0.04 1 471 47 47 LYS H H 7.410 0.04 1 472 47 47 LYS HA H 4.090 0.04 1 473 47 47 LYS HB2 H 1.899 0.04 2 474 47 47 LYS HB3 H 1.899 0.04 2 475 47 47 LYS HG2 H 1.490 0.04 2 476 47 47 LYS HG3 H 1.490 0.04 2 477 47 47 LYS HD2 H 1.660 0.04 1 478 47 47 LYS HD3 H 1.660 0.04 1 479 47 47 LYS HE2 H 2.920 0.04 1 480 47 47 LYS HE3 H 2.920 0.04 1 481 47 47 LYS C C 178.150 0.04 1 482 47 47 LYS CA C 58.750 0.04 1 483 47 47 LYS CB C 32.360 0.04 1 484 47 47 LYS CG C 25.500 0.04 1 485 47 47 LYS CD C 29.250 0.04 1 486 47 47 LYS CE C 42.250 0.04 1 487 47 47 LYS N N 120.510 0.04 1 488 48 48 GLY H H 7.180 0.04 1 489 48 48 GLY HA2 H 3.656 0.04 1 490 48 48 GLY HA3 H 4.409 0.04 1 491 48 48 GLY C C 174.220 0.04 1 492 48 48 GLY CA C 44.753 0.04 1 493 48 48 GLY N N 104.210 0.04 1 494 49 49 CYS H H 6.981 0.04 1 495 49 49 CYS HA H 4.010 0.04 1 496 49 49 CYS HB2 H 2.085 0.04 1 497 49 49 CYS HB3 H 2.730 0.04 1 498 49 49 CYS C C 177.230 0.04 1 499 49 49 CYS CA C 61.230 0.04 1 500 49 49 CYS CB C 29.850 0.04 1 501 49 49 CYS N N 123.560 0.04 1 502 50 50 LYS H H 8.999 0.04 1 503 50 50 LYS HA H 4.524 0.04 1 504 50 50 LYS HB2 H 1.877 0.04 1 505 50 50 LYS HB3 H 2.090 0.04 1 506 50 50 LYS HG2 H 1.650 0.04 1 507 50 50 LYS HG3 H 1.570 0.04 1 508 50 50 LYS HD2 H 1.775 0.04 1 509 50 50 LYS HD3 H 1.775 0.04 1 510 50 50 LYS HE2 H 3.090 0.04 1 511 50 50 LYS HE3 H 3.090 0.04 1 512 50 50 LYS C C 178.040 0.04 1 513 50 50 LYS CA C 56.750 0.04 1 514 50 50 LYS CB C 32.950 0.04 1 515 50 50 LYS CG C 25.050 0.04 1 516 50 50 LYS CD C 28.850 0.04 1 517 50 50 LYS CE C 42.410 0.04 1 518 50 50 LYS N N 128.350 0.04 1 519 51 51 ARG H H 8.558 0.04 1 520 51 51 ARG HA H 4.428 0.04 1 521 51 51 ARG HB2 H 1.837 0.04 1 522 51 51 ARG HB3 H 1.890 0.04 1 523 51 51 ARG HG2 H 1.760 0.04 1 524 51 51 ARG HG3 H 1.810 0.04 1 525 51 51 ARG HD2 H 3.330 0.04 1 526 51 51 ARG HD3 H 3.330 0.04 1 527 51 51 ARG C C 177.410 0.04 1 528 51 51 ARG CA C 57.750 0.04 1 529 51 51 ARG CB C 31.860 0.04 1 530 51 51 ARG CG C 27.550 0.04 1 531 51 51 ARG CD C 43.650 0.04 1 532 51 51 ARG N N 122.550 0.04 1 533 52 52 LYS H H 8.490 0.04 1 534 52 52 LYS HA H 4.534 0.04 1 535 52 52 LYS HB2 H 2.140 0.04 1 536 52 52 LYS HB3 H 2.330 0.04 1 537 52 52 LYS HG2 H 1.650 0.04 1 538 52 52 LYS HG3 H 1.420 0.04 1 539 52 52 LYS HD2 H 2.080 0.04 1 540 52 52 LYS HD3 H 1.820 0.04 1 541 52 52 LYS HE2 H 3.210 0.04 1 542 52 52 LYS HE3 H 3.210 0.04 1 543 52 52 LYS C C 177.610 0.04 1 544 52 52 LYS CA C 57.970 0.04 1 545 52 52 LYS CB C 32.350 0.04 1 546 52 52 LYS CG C 25.050 0.04 1 547 52 52 LYS CD C 29.350 0.04 1 548 52 52 LYS CE C 42.650 0.04 1 549 52 52 LYS N N 119.040 0.04 1 550 53 53 THR H H 7.760 0.04 1 551 53 53 THR HA H 4.160 0.04 1 552 53 53 THR HB H 4.256 0.04 1 553 53 53 THR HG2 H 1.213 0.04 1 554 53 53 THR C C 175.610 0.04 1 555 53 53 THR CA C 64.050 0.04 1 556 53 53 THR CB C 69.120 0.04 1 557 53 53 THR CG2 C 22.450 0.04 1 558 53 53 THR N N 113.034 0.04 1 559 54 54 ASN H H 8.290 0.04 1 560 54 54 ASN HA H 4.920 0.04 1 561 54 54 ASN HB2 H 2.930 0.04 2 562 54 54 ASN HB3 H 2.930 0.04 2 563 54 54 ASN C C 176.330 0.04 1 564 54 54 ASN CA C 53.720 0.04 1 565 54 54 ASN CB C 38.350 0.04 1 566 54 54 ASN N N 119.860 0.04 1 567 55 55 GLY H H 8.006 0.04 1 568 55 55 GLY HA2 H 4.030 0.04 1 569 55 55 GLY HA3 H 4.030 0.04 1 570 55 55 GLY C C 175.660 0.04 1 571 55 55 GLY CA C 45.938 0.04 1 572 55 55 GLY N N 107.570 0.04 1 573 56 56 GLY H H 7.840 0.04 1 574 56 56 GLY HA2 H 4.015 0.04 1 575 56 56 GLY HA3 H 4.015 0.04 1 576 56 56 GLY C C 173.710 0.04 1 577 56 56 GLY CA C 45.570 0.04 1 578 56 56 GLY N N 107.290 0.04 1 579 57 57 CYS H H 8.048 0.04 1 580 57 57 CYS HA H 4.505 0.04 1 581 57 57 CYS HB2 H 2.901 0.04 1 582 57 57 CYS HB3 H 2.978 0.04 1 583 57 57 CYS C C 175.090 0.04 1 584 57 57 CYS CA C 55.950 0.04 1 585 57 57 CYS CB C 30.760 0.04 1 586 57 57 CYS N N 122.730 0.04 1 587 58 58 PRO HA H 4.338 0.04 1 588 58 58 PRO HB2 H 2.020 0.04 1 589 58 58 PRO HB3 H 2.420 0.04 1 590 58 58 PRO HG2 H 2.107 0.04 1 591 58 58 PRO HG3 H 2.215 0.04 1 592 58 58 PRO HD2 H 3.815 0.04 1 593 58 58 PRO HD3 H 4.085 0.04 1 594 58 58 PRO CA C 65.050 0.04 1 595 58 58 PRO CB C 32.620 0.04 1 596 58 58 PRO CG C 27.855 0.04 1 597 58 58 PRO CD C 51.150 0.04 1 598 59 59 ILE H H 7.900 0.04 1 599 59 59 ILE HA H 3.818 0.04 1 600 59 59 ILE HB H 1.547 0.04 1 601 59 59 ILE HG12 H 0.935 0.04 1 602 59 59 ILE HG13 H 1.435 0.04 1 603 59 59 ILE HG2 H 0.725 0.04 1 604 59 59 ILE HD1 H 0.480 0.04 1 605 59 59 ILE C C 178.820 0.04 1 606 59 59 ILE CA C 64.590 0.04 1 607 59 59 ILE CB C 38.890 0.04 1 608 59 59 ILE CG1 C 28.100 0.04 1 609 59 59 ILE CG2 C 18.650 0.04 1 610 59 59 ILE CD1 C 12.850 0.04 1 611 59 59 ILE N N 121.256 0.04 1 612 60 60 CYS H H 8.914 0.04 1 613 60 60 CYS HA H 4.117 0.04 1 614 60 60 CYS HB2 H 2.806 0.04 1 615 60 60 CYS HB3 H 3.005 0.04 1 616 60 60 CYS C C 178.110 0.04 1 617 60 60 CYS CA C 66.090 0.04 1 618 60 60 CYS CB C 29.150 0.04 1 619 60 60 CYS N N 123.970 0.04 1 620 61 61 LYS H H 8.090 0.04 1 621 61 61 LYS HA H 3.910 0.04 1 622 61 61 LYS HB2 H 1.780 0.04 1 623 61 61 LYS HB3 H 1.890 0.04 1 624 61 61 LYS HG2 H 1.400 0.04 1 625 61 61 LYS HG3 H 1.550 0.04 1 626 61 61 LYS HD2 H 1.640 0.04 2 627 61 61 LYS HD3 H 1.640 0.04 2 628 61 61 LYS HE2 H 2.950 0.04 2 629 61 61 LYS HE3 H 2.950 0.04 2 630 61 61 LYS C C 179.460 0.04 1 631 61 61 LYS CA C 59.970 0.04 1 632 61 61 LYS CB C 32.650 0.04 1 633 61 61 LYS CG C 25.350 0.04 1 634 61 61 LYS CD C 29.550 0.04 1 635 61 61 LYS CE C 42.150 0.04 1 636 61 61 LYS N N 117.210 0.04 1 637 62 62 GLN H H 7.360 0.04 1 638 62 62 GLN HA H 4.203 0.04 1 639 62 62 GLN HB2 H 2.000 0.04 1 640 62 62 GLN HB3 H 2.000 0.04 1 641 62 62 GLN HG2 H 2.270 0.04 1 642 62 62 GLN HG3 H 2.480 0.04 1 643 62 62 GLN C C 178.564 0.04 1 644 62 62 GLN CA C 58.450 0.04 1 645 62 62 GLN CB C 29.140 0.04 1 646 62 62 GLN CG C 34.350 0.04 1 647 62 62 GLN N N 117.780 0.04 1 648 63 63 LEU H H 8.075 0.04 1 649 63 63 LEU HA H 4.218 0.04 1 650 63 63 LEU HB2 H 1.960 0.04 2 651 63 63 LEU HB3 H 1.960 0.04 2 652 63 63 LEU HG H 1.925 0.04 1 653 63 63 LEU HD1 H 1.054 0.04 1 654 63 63 LEU HD2 H 1.025 0.04 1 655 63 63 LEU C C 179.440 0.04 1 656 63 63 LEU CA C 58.550 0.04 1 657 63 63 LEU CB C 41.910 0.04 1 658 63 63 LEU CG C 27.750 0.04 1 659 63 63 LEU CD1 C 25.350 0.04 1 660 63 63 LEU CD2 C 24.850 0.04 1 661 63 63 LEU N N 119.930 0.04 1 662 64 64 ILE H H 8.466 0.04 1 663 64 64 ILE HA H 3.600 0.04 1 664 64 64 ILE HB H 1.489 0.04 1 665 64 64 ILE HG12 H 0.445 0.04 1 666 64 64 ILE HG13 H 1.115 0.04 1 667 64 64 ILE HG2 H 0.827 0.04 1 668 64 64 ILE HD1 H 0.449 0.04 1 669 64 64 ILE C C 177.950 0.04 1 670 64 64 ILE CA C 65.250 0.04 1 671 64 64 ILE CB C 37.320 0.04 1 672 64 64 ILE CG1 C 29.850 0.04 1 673 64 64 ILE CG2 C 17.200 0.04 1 674 64 64 ILE CD1 C 13.450 0.04 1 675 64 64 ILE N N 120.280 0.04 1 676 65 65 ALA H H 7.496 0.04 1 677 65 65 ALA HA H 4.185 0.04 1 678 65 65 ALA HB H 1.550 0.04 1 679 65 65 ALA C C 181.010 0.04 1 680 65 65 ALA CA C 55.220 0.04 1 681 65 65 ALA CB C 18.450 0.04 1 682 65 65 ALA N N 122.590 0.04 1 683 66 66 LEU H H 8.139 0.04 1 684 66 66 LEU HA H 4.100 0.04 1 685 66 66 LEU HB2 H 1.598 0.04 1 686 66 66 LEU HB3 H 1.766 0.04 1 687 66 66 LEU HG H 1.804 0.04 1 688 66 66 LEU HD1 H 0.973 0.04 1 689 66 66 LEU HD2 H 0.970 0.04 1 690 66 66 LEU C C 179.380 0.04 1 691 66 66 LEU CA C 57.930 0.04 1 692 66 66 LEU CB C 41.410 0.04 1 693 66 66 LEU CG C 27.550 0.04 1 694 66 66 LEU CD1 C 25.150 0.04 1 695 66 66 LEU CD2 C 24.050 0.04 1 696 66 66 LEU N N 115.599 0.04 1 697 67 67 ALA H H 8.770 0.04 1 698 67 67 ALA HA H 3.958 0.04 1 699 67 67 ALA HB H 1.695 0.04 1 700 67 67 ALA C C 180.060 0.04 1 701 67 67 ALA CA C 55.750 0.04 1 702 67 67 ALA CB C 19.220 0.04 1 703 67 67 ALA N N 122.670 0.04 1 704 68 68 ALA H H 8.604 0.04 1 705 68 68 ALA HA H 4.142 0.04 1 706 68 68 ALA HB H 1.542 0.04 1 707 68 68 ALA C C 179.540 0.04 1 708 68 68 ALA CA C 55.450 0.04 1 709 68 68 ALA CB C 18.220 0.04 1 710 68 68 ALA N N 120.580 0.04 1 711 69 69 TYR HA H 4.345 0.04 1 712 69 69 TYR HB2 H 2.850 0.04 1 713 69 69 TYR HB3 H 2.968 0.04 1 714 69 69 TYR CA C 57.750 0.04 1 715 69 69 TYR CB C 38.580 0.04 1 716 71 71 ALA HA H 4.000 0.04 1 717 71 71 ALA HB H 1.625 0.04 1 718 71 71 ALA C C 179.540 0.04 1 719 71 71 ALA CA C 54.850 0.04 1 720 71 71 ALA CB C 19.650 0.04 1 721 72 72 LYS H H 7.080 0.04 1 722 72 72 LYS HA H 3.904 0.04 1 723 72 72 LYS HB2 H 1.495 0.04 1 724 72 72 LYS HB3 H 1.622 0.04 1 725 72 72 LYS HG2 H 1.260 0.04 1 726 72 72 LYS HG3 H 1.370 0.04 1 727 72 72 LYS HD2 H 1.380 0.04 1 728 72 72 LYS HD3 H 1.380 0.04 1 729 72 72 LYS HE2 H 2.946 0.04 1 730 72 72 LYS HE3 H 2.946 0.04 1 731 72 72 LYS C C 177.120 0.04 1 732 72 72 LYS CA C 58.230 0.04 1 733 72 72 LYS CB C 32.340 0.04 1 734 72 72 LYS CG C 24.540 0.04 1 735 72 72 LYS CD C 25.360 0.04 1 736 72 72 LYS CE C 42.050 0.04 1 737 72 72 LYS N N 114.680 0.04 1 738 73 73 HIS H H 7.250 0.04 1 739 73 73 HIS HA H 4.826 0.04 1 740 73 73 HIS HB2 H 2.940 0.04 1 741 73 73 HIS HB3 H 3.445 0.04 1 742 73 73 HIS C C 173.660 0.04 1 743 73 73 HIS CA C 54.380 0.04 1 744 73 73 HIS CB C 30.350 0.04 1 745 73 73 HIS N N 113.498 0.04 1 746 74 74 CYS H H 7.140 0.04 1 747 74 74 CYS HA H 4.150 0.04 1 748 74 74 CYS HB2 H 1.820 0.04 1 749 74 74 CYS HB3 H 2.480 0.04 1 750 74 74 CYS C C 176.480 0.04 1 751 74 74 CYS CA C 60.250 0.04 1 752 74 74 CYS CB C 29.930 0.04 1 753 74 74 CYS N N 123.830 0.04 1 754 75 75 GLN H H 9.088 0.04 1 755 75 75 GLN HA H 4.685 0.04 1 756 75 75 GLN HB2 H 2.347 0.04 2 757 75 75 GLN HB3 H 2.347 0.04 2 758 75 75 GLN HG2 H 2.370 0.04 1 759 75 75 GLN HG3 H 2.370 0.04 1 760 75 75 GLN C C 176.090 0.04 1 761 75 75 GLN CA C 54.900 0.04 1 762 75 75 GLN CB C 29.840 0.04 1 763 75 75 GLN CG C 33.850 0.04 1 764 75 75 GLN N N 128.740 0.04 1 765 76 76 GLU H H 8.390 0.04 1 766 76 76 GLU HA H 4.480 0.04 1 767 76 76 GLU HB2 H 2.150 0.04 1 768 76 76 GLU HB3 H 2.080 0.04 1 769 76 76 GLU HG2 H 2.480 0.04 1 770 76 76 GLU HG3 H 2.480 0.04 1 771 76 76 GLU C C 177.030 0.04 1 772 76 76 GLU CA C 56.210 0.04 1 773 76 76 GLU CB C 30.660 0.04 1 774 76 76 GLU CG C 34.350 0.04 1 775 76 76 GLU N N 123.190 0.04 1 776 77 77 ASN H H 8.848 0.04 1 777 77 77 ASN HA H 4.549 0.04 1 778 77 77 ASN HB2 H 2.855 0.04 2 779 77 77 ASN HB3 H 2.855 0.04 2 780 77 77 ASN C C 176.070 0.04 1 781 77 77 ASN CA C 55.100 0.04 1 782 77 77 ASN CB C 38.650 0.04 1 783 77 77 ASN N N 124.760 0.04 1 784 78 78 LYS H H 8.636 0.04 1 785 78 78 LYS HA H 4.460 0.04 1 786 78 78 LYS HB2 H 1.690 0.04 1 787 78 78 LYS HB3 H 1.960 0.04 1 788 78 78 LYS HG2 H 1.380 0.04 1 789 78 78 LYS HG3 H 1.441 0.04 1 790 78 78 LYS HD2 H 1.740 0.04 1 791 78 78 LYS HD3 H 1.740 0.04 1 792 78 78 LYS HE2 H 3.044 0.04 1 793 78 78 LYS HE3 H 3.044 0.04 1 794 78 78 LYS C C 175.230 0.04 1 795 78 78 LYS CA C 54.920 0.04 1 796 78 78 LYS CB C 31.020 0.04 1 797 78 78 LYS CG C 24.250 0.04 1 798 78 78 LYS CD C 28.950 0.04 1 799 78 78 LYS CE C 42.050 0.04 1 800 78 78 LYS N N 120.810 0.04 1 801 80 80 PRO HA H 4.710 0.04 1 802 80 80 PRO HB2 H 2.080 0.04 1 803 80 80 PRO HB3 H 2.170 0.04 1 804 80 80 PRO HG2 H 1.690 0.04 1 805 80 80 PRO HG3 H 2.080 0.04 1 806 80 80 PRO HD2 H 3.880 0.04 1 807 80 80 PRO HD3 H 4.214 0.04 1 808 80 80 PRO CA C 62.850 0.04 1 809 80 80 PRO CB C 32.150 0.04 1 810 80 80 PRO CG C 26.950 0.04 1 811 80 80 PRO CD C 51.450 0.04 1 812 81 81 VAL HA H 3.578 0.04 1 813 81 81 VAL HB H 2.230 0.04 1 814 81 81 VAL HG1 H 0.691 0.04 1 815 81 81 VAL HG2 H 0.441 0.04 1 816 81 81 VAL CA C 62.350 0.04 1 817 81 81 VAL CB C 31.616 0.04 1 818 81 81 VAL CG1 C 19.980 0.04 1 819 81 81 VAL CG2 C 24.080 0.04 1 820 82 82 PRO HA H 4.850 0.04 1 821 82 82 PRO HB2 H 2.000 0.04 1 822 82 82 PRO HB3 H 2.403 0.04 1 823 82 82 PRO HG2 H 1.910 0.04 1 824 82 82 PRO HG3 H 2.240 0.04 1 825 82 82 PRO HD2 H 3.580 0.04 1 826 82 82 PRO HD3 H 3.690 0.04 1 827 82 82 PRO CA C 63.350 0.04 1 828 82 82 PRO CB C 32.050 0.04 1 829 82 82 PRO CG C 27.250 0.04 1 830 82 82 PRO CD C 49.950 0.04 1 831 83 83 PHE HA H 4.160 0.04 1 832 83 83 PHE HB2 H 3.290 0.04 2 833 83 83 PHE HB3 H 3.290 0.04 2 834 83 83 PHE CA C 58.950 0.04 1 835 83 83 PHE CB C 38.250 0.04 1 836 84 84 CYS HA H 4.597 0.04 1 837 84 84 CYS HB2 H 2.600 0.04 1 838 84 84 CYS HB3 H 2.740 0.04 1 839 84 84 CYS CA C 56.750 0.04 1 840 84 84 CYS CB C 30.150 0.04 1 841 85 85 LEU H H 8.220 0.04 1 842 85 85 LEU HA H 3.958 0.04 1 843 85 85 LEU HB2 H 1.577 0.04 1 844 85 85 LEU HB3 H 1.928 0.04 1 845 85 85 LEU HG H 1.203 0.04 1 846 85 85 LEU HD1 H 0.875 0.04 1 847 85 85 LEU HD2 H 0.875 0.04 1 848 85 85 LEU CA C 59.350 0.04 1 849 85 85 LEU CB C 38.180 0.04 1 850 85 85 LEU CG C 28.270 0.04 1 851 85 85 LEU CD1 C 25.350 0.04 1 852 85 85 LEU CD2 C 24.550 0.04 1 853 85 85 LEU N N 119.930 0.04 1 854 86 86 ASN H H 7.789 0.04 1 855 86 86 ASN HA H 4.580 0.04 1 856 86 86 ASN HB2 H 2.855 0.04 1 857 86 86 ASN HB3 H 3.035 0.04 1 858 86 86 ASN CA C 51.860 0.04 1 859 86 86 ASN CB C 38.610 0.04 1 860 86 86 ASN N N 115.750 0.04 1 861 87 87 ILE H H 7.160 0.04 1 862 87 87 ILE HA H 4.220 0.04 1 863 87 87 ILE HB H 1.830 0.04 1 864 87 87 ILE HG12 H 1.520 0.04 1 865 87 87 ILE HG13 H 1.520 0.04 1 866 87 87 ILE HG2 H 0.996 0.04 1 867 87 87 ILE HD1 H 0.670 0.04 1 868 87 87 ILE CA C 61.850 0.04 1 869 87 87 ILE CB C 41.330 0.04 1 870 87 87 ILE N N 123.260 0.04 1 871 88 88 LYS HA H 4.450 0.04 1 872 88 88 LYS HB2 H 1.960 0.04 1 873 88 88 LYS HB3 H 1.960 0.04 1 874 88 88 LYS HG2 H 1.384 0.04 1 875 88 88 LYS HG3 H 1.446 0.04 1 876 88 88 LYS HD2 H 1.750 0.04 1 877 88 88 LYS HD3 H 1.750 0.04 1 878 88 88 LYS HE2 H 3.040 0.04 1 879 88 88 LYS HE3 H 3.040 0.04 1 880 88 88 LYS CA C 54.530 0.04 1 881 88 88 LYS CB C 31.450 0.04 1 882 88 88 LYS CG C 24.380 0.04 1 883 88 88 LYS CD C 28.950 0.04 1 884 88 88 LYS CE C 42.050 0.04 1 885 89 89 GLN HA H 4.450 0.04 1 886 89 89 GLN HB2 H 2.040 0.04 1 887 89 89 GLN HB3 H 2.140 0.04 1 888 89 89 GLN HG2 H 2.410 0.04 2 889 89 89 GLN HG3 H 2.410 0.04 2 890 89 89 GLN CA C 56.210 0.04 1 891 89 89 GLN CB C 29.250 0.04 1 892 89 89 GLN CG C 33.950 0.04 1 893 90 90 LYS H H 7.750 0.04 1 894 90 90 LYS HA H 4.180 0.04 1 895 90 90 LYS HB2 H 1.784 0.04 1 896 90 90 LYS HB3 H 1.884 0.04 1 897 90 90 LYS HG2 H 1.480 0.04 1 898 90 90 LYS HG3 H 1.480 0.04 1 899 90 90 LYS HD2 H 1.720 0.04 1 900 90 90 LYS HD3 H 1.720 0.04 1 901 90 90 LYS HE2 H 3.050 0.04 1 902 90 90 LYS HE3 H 3.050 0.04 1 903 90 90 LYS CA C 58.040 0.04 1 904 90 90 LYS CB C 33.370 0.04 1 905 90 90 LYS CG C 25.350 0.04 1 906 90 90 LYS CD C 29.150 0.04 1 907 90 90 LYS CE C 42.150 0.04 1 908 90 90 LYS N N 127.480 0.04 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HNCO' '3D HN(CA)CO' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HBHA(CO)NH' 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 entity_2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 LEU H H 7.752 . . 2 1 1 LEU HA H 4.713 . . 3 1 1 LEU HB2 H 1.645 . . 4 1 1 LEU HB3 H 1.645 . . 5 1 1 LEU HG H 1.746 . . 6 1 1 LEU HD1 H 0.995 . . 7 1 1 LEU HD2 H 0.983 . . 8 1 1 LEU CA C 53.010 . . 9 1 1 LEU CB C 41.880 . . 10 1 1 LEU CG C 27.150 . . 11 1 1 LEU CD1 C 24.950 . . 12 1 1 LEU CD2 C 23.350 . . 13 1 1 LEU N N 120.830 . . 14 2 2 PRO HA H 4.520 . . 15 2 2 PRO HB2 H 2.250 . . 16 2 2 PRO HB3 H 2.385 . . 17 2 2 PRO HG2 H 2.050 . . 18 2 2 PRO HG3 H 2.120 . . 19 2 2 PRO HD2 H 3.725 . . 20 2 2 PRO HD3 H 3.924 . . 21 2 2 PRO C C 176.940 . . 22 2 2 PRO CA C 63.580 . . 23 2 2 PRO CB C 31.850 . . 24 2 2 PRO CG C 27.150 . . 25 2 2 PRO CD C 50.350 . . 26 3 3 SER H H 8.310 . . 27 3 3 SER HA H 4.440 . . 28 3 3 SER HB2 H 3.959 . . 29 3 3 SER HB3 H 3.959 . . 30 3 3 SER C C 174.990 . . 31 3 3 SER CA C 58.490 . . 32 3 3 SER CB C 63.590 . . 33 3 3 SER N N 115.350 . . 34 4 4 GLN H H 8.356 . . 35 4 4 GLN HA H 4.440 . . 36 4 4 GLN HB2 H 2.058 . . 37 4 4 GLN HB3 H 2.153 . . 38 4 4 GLN HG2 H 2.434 . . 39 4 4 GLN HG3 H 2.434 . . 40 4 4 GLN HE21 H 7.579 . . 41 4 4 GLN HE22 H 6.860 . . 42 4 4 GLN C C 175.950 . . 43 4 4 GLN CA C 55.850 . . 44 4 4 GLN CB C 29.010 . . 45 4 4 GLN CG C 34.350 . . 46 4 4 GLN N N 121.810 . . 47 4 4 GLN NE2 N 112.200 . . 48 5 5 ALA H H 8.240 . . 49 5 5 ALA HA H 4.239 . . 50 5 5 ALA HB H 1.465 . . 51 5 5 ALA C C 178.140 . . 52 5 5 ALA CA C 52.880 . . 53 5 5 ALA CB C 18.850 . . 54 5 5 ALA N N 124.430 . . 55 6 6 MET H H 8.268 . . 56 6 6 MET HA H 4.483 . . 57 6 6 MET HB2 H 2.087 . . 58 6 6 MET HB3 H 2.087 . . 59 6 6 MET HG2 H 2.615 . . 60 6 6 MET HG3 H 2.615 . . 61 6 6 MET C C 176.480 . . 62 6 6 MET CA C 55.650 . . 63 6 6 MET CB C 32.580 . . 64 6 6 MET CG C 32.160 . . 65 6 6 MET N N 118.630 . . 66 7 7 ASP H H 8.205 . . 67 7 7 ASP HA H 4.505 . . 68 7 7 ASP HB2 H 2.695 . . 69 7 7 ASP HB3 H 2.695 . . 70 7 7 ASP C C 176.550 . . 71 7 7 ASP CA C 55.230 . . 72 7 7 ASP CB C 41.150 . . 73 7 7 ASP N N 120.450 . . 74 8 8 ASP H H 8.210 . . 75 8 8 ASP HA H 4.590 . . 76 8 8 ASP HB2 H 2.719 . . 77 8 8 ASP HB3 H 2.719 . . 78 8 8 ASP C C 176.580 . . 79 8 8 ASP CA C 54.650 . . 80 8 8 ASP CB C 40.950 . . 81 8 8 ASP N N 119.550 . . 82 9 9 LEU H H 8.001 . . 83 9 9 LEU HA H 4.305 . . 84 9 9 LEU HB2 H 1.688 . . 85 9 9 LEU HB3 H 1.688 . . 86 9 9 LEU HG H 1.665 . . 87 9 9 LEU HD1 H 0.934 . . 88 9 9 LEU HD2 H 0.875 . . 89 9 9 LEU C C 176.950 . . 90 9 9 LEU CA C 55.390 . . 91 9 9 LEU CB C 42.390 . . 92 9 9 LEU CG C 27.550 . . 93 9 9 LEU CD1 C 25.520 . . 94 9 9 LEU N N 120.800 . . 95 10 10 MET H H 8.088 . . 96 10 10 MET HA H 4.485 . . 97 10 10 MET HB2 H 2.095 . . 98 10 10 MET HB3 H 2.095 . . 99 10 10 MET HG2 H 2.575 . . 100 10 10 MET HG3 H 2.615 . . 101 10 10 MET C C 176.050 . . 102 10 10 MET CA C 55.400 . . 103 10 10 MET CB C 32.140 . . 104 10 10 MET CG C 32.140 . . 105 10 10 MET N N 118.720 . . 106 11 11 LEU H H 7.950 . . 107 11 11 LEU HA H 4.453 . . 108 11 11 LEU HB2 H 1.575 . . 109 11 11 LEU HB3 H 1.625 . . 110 11 11 LEU HG H 1.626 . . 111 11 11 LEU HD1 H 0.881 . . 112 11 11 LEU HD2 H 0.883 . . 113 11 11 LEU C C 177.570 . . 114 11 11 LEU CA C 54.680 . . 115 11 11 LEU CB C 42.880 . . 116 11 11 LEU CG C 27.450 . . 117 11 11 LEU CD1 C 25.250 . . 118 11 11 LEU CD2 C 23.650 . . 119 11 11 LEU N N 121.830 . . 120 12 12 SER H H 8.590 . . 121 12 12 SER HA H 4.875 . . 122 12 12 SER HB2 H 3.915 . . 123 12 12 SER HB3 H 4.035 . . 124 12 12 SER CA C 55.550 . . 125 12 12 SER CB C 63.680 . . 126 12 12 SER N N 117.880 . . 127 13 13 PRO HA H 4.345 . . 128 13 13 PRO HB2 H 2.024 . . 129 13 13 PRO HB3 H 2.297 . . 130 13 13 PRO HG2 H 1.994 . . 131 13 13 PRO HG3 H 2.108 . . 132 13 13 PRO HD2 H 3.870 . . 133 13 13 PRO HD3 H 3.870 . . 134 13 13 PRO C C 177.390 . . 135 13 13 PRO CA C 64.450 . . 136 13 13 PRO CB C 31.760 . . 137 13 13 PRO CG C 27.450 . . 138 13 13 PRO CD C 50.250 . . 139 14 14 ASP H H 8.101 . . 140 14 14 ASP HA H 4.480 . . 141 14 14 ASP HB2 H 2.550 . . 142 14 14 ASP HB3 H 2.700 . . 143 14 14 ASP C C 177.110 . . 144 14 14 ASP CA C 55.390 . . 145 14 14 ASP CB C 40.950 . . 146 14 14 ASP N N 117.110 . . 147 15 15 ASP H H 7.862 . . 148 15 15 ASP HA H 4.502 . . 149 15 15 ASP HB2 H 2.700 . . 150 15 15 ASP HB3 H 2.700 . . 151 15 15 ASP C C 177.230 . . 152 15 15 ASP CA C 55.390 . . 153 15 15 ASP CB C 41.120 . . 154 15 15 ASP N N 119.620 . . 155 16 16 ILE H H 7.620 . . 156 16 16 ILE HA H 3.380 . . 157 16 16 ILE HB H 1.739 . . 158 16 16 ILE HG12 H 1.349 . . 159 16 16 ILE HG13 H 0.970 . . 160 16 16 ILE HG2 H 0.760 . . 161 16 16 ILE HD1 H 0.748 . . 162 16 16 ILE C C 176.950 . . 163 16 16 ILE CA C 62.740 . . 164 16 16 ILE CB C 37.880 . . 165 16 16 ILE CG1 C 28.390 . . 166 16 16 ILE CG2 C 17.570 . . 167 16 16 ILE CD1 C 13.810 . . 168 16 16 ILE N N 119.210 . . 169 17 17 GLU H H 8.065 . . 170 17 17 GLU HA H 4.049 . . 171 17 17 GLU HB2 H 2.038 . . 172 17 17 GLU HB3 H 2.038 . . 173 17 17 GLU HG2 H 2.287 . . 174 17 17 GLU HG3 H 2.320 . . 175 17 17 GLU C C 178.190 . . 176 17 17 GLU CA C 58.450 . . 177 17 17 GLU CB C 29.480 . . 178 17 17 GLU CG C 36.550 . . 179 17 17 GLU N N 119.710 . . 180 18 18 GLN H H 7.801 . . 181 18 18 GLN HA H 4.232 . . 182 18 18 GLN HB2 H 2.150 . . 183 18 18 GLN HB3 H 2.150 . . 184 18 18 GLN HG2 H 2.320 . . 185 18 18 GLN HG3 H 2.320 . . 186 18 18 GLN HE21 H 7.470 . . 187 18 18 GLN HE22 H 6.770 . . 188 18 18 GLN C C 177.110 . . 189 18 18 GLN CA C 56.920 . . 190 18 18 GLN CB C 28.640 . . 191 18 18 GLN CG C 34.050 . . 192 18 18 GLN N N 116.780 . . 193 18 18 GLN NE2 N 111.960 . . 194 19 19 TRP H H 7.865 . . 195 19 19 TRP HA H 4.526 . . 196 19 19 TRP HB2 H 2.874 . . 197 19 19 TRP HB3 H 3.051 . . 198 19 19 TRP HD1 H 7.370 . . 199 19 19 TRP HE1 H 10.020 . . 200 19 19 TRP C C 176.820 . . 201 19 19 TRP CA C 57.750 . . 202 19 19 TRP CB C 29.280 . . 203 19 19 TRP N N 119.620 . . 204 19 19 TRP NE1 N 128.220 . . 205 20 20 PHE H H 7.943 . . 206 20 20 PHE HA H 4.726 . . 207 20 20 PHE HB2 H 3.032 . . 208 20 20 PHE HB3 H 3.295 . . 209 20 20 PHE HD1 H 7.320 . . 210 20 20 PHE HD2 H 7.320 . . 211 20 20 PHE HE1 H 7.039 . . 212 20 20 PHE HE2 H 7.039 . . 213 20 20 PHE C C 175.820 . . 214 20 20 PHE CA C 57.620 . . 215 20 20 PHE CB C 39.040 . . 216 20 20 PHE N N 116.350 . . 217 21 21 THR H H 7.770 . . 218 21 21 THR HA H 4.404 . . 219 21 21 THR HB H 4.299 . . 220 21 21 THR HG2 H 1.264 . . 221 21 21 THR C C 174.460 . . 222 21 21 THR CA C 61.980 . . 223 21 21 THR CB C 66.990 . . 224 21 21 THR CG2 C 21.950 . . 225 21 21 THR N N 115.610 . . 226 22 22 GLU H H 8.278 . . 227 22 22 GLU HA H 4.380 . . 228 22 22 GLU HB2 H 1.970 . . 229 22 22 GLU HB3 H 2.090 . . 230 22 22 GLU HG2 H 2.315 . . 231 22 22 GLU HG3 H 2.315 . . 232 22 22 GLU C C 175.840 . . 233 22 22 GLU CA C 56.150 . . 234 22 22 GLU CB C 30.400 . . 235 22 22 GLU CG C 36.250 . . 236 22 22 GLU N N 122.470 . . 237 23 23 ASP H H 8.362 . . 238 23 23 ASP HA H 4.920 . . 239 23 23 ASP HB2 H 2.600 . . 240 23 23 ASP HB3 H 2.795 . . 241 23 23 ASP CA C 52.170 . . 242 23 23 ASP CB C 41.190 . . 243 23 23 ASP N N 122.810 . . 244 24 24 PRO HA H 4.490 . . 245 24 24 PRO HB2 H 2.100 . . 246 24 24 PRO HB3 H 2.250 . . 247 24 24 PRO HG2 H 2.047 . . 248 24 24 PRO HG3 H 2.047 . . 249 24 24 PRO HD2 H 3.880 . . 250 24 24 PRO HD3 H 3.880 . . 251 24 24 PRO C C 176.640 . . 252 24 24 PRO CA C 63.430 . . 253 24 24 PRO CB C 31.950 . . 254 24 24 PRO CG C 27.450 . . 255 24 24 PRO CD C 50.750 . . 256 25 25 GLY H H 8.064 . . 257 25 25 GLY HA2 H 3.765 . . 258 25 25 GLY HA3 H 3.825 . . 259 25 25 GLY CA C 46.150 . . 260 25 25 GLY N N 115.030 . . stop_ save_