data_11578 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the complex between p53 transactivation domain 2 and TFIIH p62 PH domain ; _BMRB_accession_number 11578 _BMRB_flat_file_name bmr11578.str _Entry_type original _Submission_date 2014-09-24 _Accession_date 2014-09-24 _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 Okuda Masahiko . . 2 Nishimura Yoshifumi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 771 "13C chemical shifts" 497 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-11 original BMRB . stop_ _Original_release_date 2014-10-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Extended String Binding Mode of the Phosphorylated Transactivation Domain of Tumor Suppressor p53 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25216154 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Okuda Masahiko . . 2 Nishimura Yoshifumi . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume . _Journal_issue . _Journal_ASTM JACSAT _Journal_ISSN 1520-5126 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14143 _Page_last 14152 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'complex between p53 transactivation domain 2 and TFIIH p62 PH domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $p53_TAD2 entity_2 $TFIIH_p62_PH_domain 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_p53_TAD2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p53_TAD2 _Molecular_mass 2724.623 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; DDLMLXPDDIEQWFXEDPGP DE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 41 ASP 2 42 ASP 3 43 LEU 4 44 MET 5 45 LEU 6 46 SEP 7 47 PRO 8 48 ASP 9 49 ASP 10 50 ILE 11 51 GLU 12 52 GLN 13 53 TRP 14 54 PHE 15 55 TPO 16 56 GLU 17 57 ASP 18 58 PRO 19 59 GLY 20 60 PRO 21 61 ASP 22 62 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_TFIIH_p62_PH_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TFIIH_p62_PH_domain _Molecular_mass 12306.429 _Mol_thiol_state 'all free' _Details . _Residue_count 110 _Mol_residue_sequence ; GSMATSSEEVLLIVKKVRQK KQDGALYLMAERIAWAPEGK DRFTISHMYADIKCQKISPE GKAKIQLQLVLHAGDTTNFH FSNESTAVKERDAVKDLLQQ LLPKFKRKAN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 1 MET 4 2 ALA 5 3 THR 6 4 SER 7 5 SER 8 6 GLU 9 7 GLU 10 8 VAL 11 9 LEU 12 10 LEU 13 11 ILE 14 12 VAL 15 13 LYS 16 14 LYS 17 15 VAL 18 16 ARG 19 17 GLN 20 18 LYS 21 19 LYS 22 20 GLN 23 21 ASP 24 22 GLY 25 23 ALA 26 24 LEU 27 25 TYR 28 26 LEU 29 27 MET 30 28 ALA 31 29 GLU 32 30 ARG 33 31 ILE 34 32 ALA 35 33 TRP 36 34 ALA 37 35 PRO 38 36 GLU 39 37 GLY 40 38 LYS 41 39 ASP 42 40 ARG 43 41 PHE 44 42 THR 45 43 ILE 46 44 SER 47 45 HIS 48 46 MET 49 47 TYR 50 48 ALA 51 49 ASP 52 50 ILE 53 51 LYS 54 52 CYS 55 53 GLN 56 54 LYS 57 55 ILE 58 56 SER 59 57 PRO 60 58 GLU 61 59 GLY 62 60 LYS 63 61 ALA 64 62 LYS 65 63 ILE 66 64 GLN 67 65 LEU 68 66 GLN 69 67 LEU 70 68 VAL 71 69 LEU 72 70 HIS 73 71 ALA 74 72 GLY 75 73 ASP 76 74 THR 77 75 THR 78 76 ASN 79 77 PHE 80 78 HIS 81 79 PHE 82 80 SER 83 81 ASN 84 82 GLU 85 83 SER 86 84 THR 87 85 ALA 88 86 VAL 89 87 LYS 90 88 GLU 91 89 ARG 92 90 ASP 93 91 ALA 94 92 VAL 95 93 LYS 96 94 ASP 97 95 LEU 98 96 LEU 99 97 GLN 100 98 GLN 101 99 LEU 102 100 LEU 103 101 PRO 104 102 LYS 105 103 PHE 106 104 LYS 107 105 ARG 108 106 LYS 109 107 ALA 110 108 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_SEP _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common PHOSPHOSERINE _BMRB_code SEP _PDB_code SEP _Standard_residue_derivative . _Molecular_mass 185.072 _Mol_paramagnetic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? OG OG O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HXT HXT H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB OG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING OG P ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? stop_ save_ save_chem_comp_TPO _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common PHOSPHOTHREONINE _BMRB_code TPO _PDB_code TPO _Standard_residue_derivative . _Molecular_mass 199.099 _Mol_paramagnetic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG2 CG2 C . 0 . ? OG1 OG1 O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB HB H . 0 . ? HG21 HG21 H . 0 . ? HG22 HG22 H . 0 . ? HG23 HG23 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG2 ? ? SING CB OG1 ? ? SING CB HB ? ? SING CG2 HG21 ? ? SING CG2 HG22 ? ? SING CG2 HG23 ? ? SING OG1 P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $p53_TAD2 Human 9606 Eukaryota Metazoa Homo sapiens $TFIIH_p62_PH_domain 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 $p53_TAD2 'chemical synthesis' . . . . . $TFIIH_p62_PH_domain '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 $TFIIH_p62_PH_domain 0.4 mM '[U-99% 13C; U-99% 15N]' $p53_TAD2 0.48 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' DTT 5 mM [U-2H] H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TFIIH_p62_PH_domain 0.4 mM '[U-99% 13C; U-99% 15N]' $p53_TAD2 0.48 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' DTT 5 mM [U-2H] D2O 100 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ 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_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNHB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 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' 20 . mM pH 6.8 . pH pressure 1 . atm temperature 305 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 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-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 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 41 1 ASP HA H 4.2050 0.0000 1 2 41 1 ASP HB2 H 2.8080 0.0000 2 3 41 1 ASP HB3 H 2.7010 0.0000 2 4 42 2 ASP HA H 4.6530 0.0000 1 5 42 2 ASP HB2 H 2.7180 0.0000 2 6 42 2 ASP HB3 H 2.5560 0.0000 2 7 43 3 LEU H H 8.2730 0.0000 1 8 43 3 LEU HA H 4.3120 0.0000 1 9 43 3 LEU HB2 H 1.6660 0.0000 2 10 43 3 LEU HB3 H 1.5720 0.0000 2 11 43 3 LEU HG H 1.6050 0.0000 1 12 43 3 LEU HD1 H 0.9270 0.0000 2 13 43 3 LEU HD2 H 0.8690 0.0000 2 14 44 4 MET H H 8.3430 0.0000 1 15 44 4 MET HA H 4.4710 0.0000 1 16 44 4 MET HB2 H 2.0610 0.0000 2 17 44 4 MET HB3 H 2.0090 0.0000 2 18 44 4 MET HG2 H 2.5710 0.0000 2 19 44 4 MET HG3 H 2.5060 0.0000 2 20 45 5 LEU H H 8.1760 0.0000 1 21 45 5 LEU HA H 4.4040 0.0000 1 22 45 5 LEU HB2 H 1.6190 0.0000 2 23 45 5 LEU HG H 1.5580 0.0000 1 24 45 5 LEU HD1 H 0.9160 0.0000 2 25 45 5 LEU HD2 H 0.8610 0.0000 2 26 46 6 SEP H H 8.7450 0.0000 1 27 46 6 SEP HA H 4.0670 0.0000 1 28 46 6 SEP HB3 H 3.9700 0.0000 2 29 47 7 PRO HA H 4.3890 0.0000 1 30 47 7 PRO HB2 H 1.9260 0.0000 2 31 47 7 PRO HB3 H 2.2740 0.0000 2 32 47 7 PRO HG2 H 2.0160 0.0000 2 33 47 7 PRO HG3 H 1.9980 0.0000 2 34 47 7 PRO HD2 H 3.8130 0.0000 2 35 47 7 PRO HD3 H 3.7320 0.0000 2 36 48 8 ASP H H 8.3540 0.0000 1 37 48 8 ASP HA H 4.5660 0.0000 1 38 48 8 ASP HB2 H 2.6610 0.0000 2 39 48 8 ASP HB3 H 2.5840 0.0000 2 40 49 9 ASP H H 8.1530 0.0000 1 41 49 9 ASP HA H 4.6090 0.0000 1 42 49 9 ASP HB2 H 2.6550 0.0000 2 43 49 9 ASP HB3 H 2.5770 0.0000 2 44 50 10 ILE H H 7.9930 0.0000 1 45 50 10 ILE HA H 4.0900 0.0000 1 46 50 10 ILE HB H 1.8220 0.0000 1 47 50 10 ILE HG12 H 1.3850 0.0000 2 48 50 10 ILE HG13 H 1.1210 0.0000 2 49 50 10 ILE HG2 H 0.8240 0.0000 1 50 50 10 ILE HD1 H 0.7850 0.0000 1 51 51 11 GLU H H 8.3560 0.0000 1 52 51 11 GLU HA H 4.1150 0.0000 1 53 51 11 GLU HB2 H 1.8300 0.0000 2 54 51 11 GLU HB3 H 1.7790 0.0000 2 55 51 11 GLU HG2 H 2.1700 0.0000 2 56 51 11 GLU HG3 H 2.0440 0.0000 2 57 52 12 GLN H H 7.9300 0.0000 1 58 52 12 GLN HA H 4.2540 0.0000 1 59 52 12 GLN HB2 H 1.8020 0.0000 2 60 52 12 GLN HB3 H 1.7140 0.0000 2 61 52 12 GLN HG2 H 2.1010 0.0000 2 62 52 12 GLN HE21 H 6.7850 0.0000 2 63 52 12 GLN HE22 H 7.4110 0.0000 2 64 53 13 TRP H H 8.1050 0.0000 1 65 53 13 TRP HA H 4.7210 0.0000 1 66 53 13 TRP HB2 H 3.0630 0.0000 2 67 53 13 TRP HB3 H 2.9270 0.0000 2 68 53 13 TRP HD1 H 7.0940 0.0000 1 69 53 13 TRP HE1 H 10.1780 0.0000 1 70 53 13 TRP HE3 H 7.1640 0.0000 1 71 53 13 TRP HZ2 H 7.2610 0.0000 1 72 53 13 TRP HZ3 H 7.2410 0.0000 1 73 53 13 TRP HH2 H 6.8710 0.0000 1 74 54 14 PHE HA H 4.7790 0.0000 1 75 54 14 PHE HB2 H 3.0720 0.0000 2 76 54 14 PHE HB3 H 2.8880 0.0000 2 77 54 14 PHE HD1 H 7.1650 0.0000 3 78 54 14 PHE HE1 H 7.2530 0.0000 3 79 54 14 PHE HZ H 7.2270 0.0000 1 80 55 15 TPO HA H 4.2410 0.0000 1 81 55 15 TPO HB H 4.3370 0.0000 1 82 55 15 TPO HG21 H 1.2590 0.0000 1 83 56 16 GLU H H 8.4760 0.0000 1 84 56 16 GLU HA H 4.3310 0.0000 1 85 56 16 GLU HB2 H 2.0280 0.0000 2 86 56 16 GLU HB3 H 1.8900 0.0000 2 87 56 16 GLU HG2 H 2.2050 0.0000 2 88 57 17 ASP H H 8.5470 0.0000 1 89 57 17 ASP HA H 4.8040 0.0000 1 90 57 17 ASP HB2 H 2.7300 0.0000 2 91 57 17 ASP HB3 H 2.5500 0.0000 2 92 58 18 PRO HA H 4.4960 0.0000 1 93 58 18 PRO HB3 H 2.2810 0.0000 2 94 58 18 PRO HG2 H 2.0430 0.0000 2 95 58 18 PRO HD2 H 3.8330 0.0000 2 96 58 18 PRO HD3 H 3.8180 0.0000 2 97 59 19 GLY H H 8.3550 0.0000 1 98 59 19 GLY HA2 H 4.0860 0.0000 2 99 60 20 PRO HA H 4.4520 0.0000 1 100 60 20 PRO HB2 H 2.2670 0.0000 2 101 60 20 PRO HB3 H 2.2710 0.0000 2 102 60 20 PRO HG2 H 1.9950 0.0000 2 103 60 20 PRO HD2 H 3.6330 0.0000 2 104 60 20 PRO HD3 H 3.6030 0.0000 2 105 61 21 ASP H H 8.4480 0.0000 1 106 61 21 ASP HA H 4.6120 0.0000 1 107 61 21 ASP HB2 H 2.7460 0.0000 2 108 61 21 ASP HB3 H 2.5820 0.0000 2 109 62 22 GLU H H 7.7790 0.0000 1 110 62 22 GLU HA H 4.1180 0.0000 1 111 62 22 GLU HB2 H 2.0330 0.0000 2 112 62 22 GLU HB3 H 1.8690 0.0000 2 113 62 22 GLU HG2 H 2.1690 0.0000 2 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '2D 1H-13C HSQC aromatic' '3D HNHB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_2 $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 3 MET HA H 4.3730 0.0000 1 2 1 3 MET HB2 H 1.8710 0.0000 2 3 1 3 MET HB3 H 1.8370 0.0000 2 4 1 3 MET HG2 H 2.3590 0.0000 2 5 1 3 MET HG3 H 2.3070 0.0000 2 6 1 3 MET C C 175.9250 0.0000 1 7 1 3 MET CA C 55.4940 0.0000 1 8 1 3 MET CB C 32.3130 0.0000 1 9 1 3 MET CG C 31.7330 0.0000 1 10 1 3 MET N N 122.9720 0.0000 1 11 2 4 ALA H H 8.2400 0.0000 1 12 2 4 ALA HA H 4.3580 0.0000 1 13 2 4 ALA HB H 1.3620 0.0000 1 14 2 4 ALA C C 177.8270 0.0000 1 15 2 4 ALA CA C 52.5970 0.0000 1 16 2 4 ALA CB C 18.9740 0.0000 1 17 2 4 ALA N N 125.7160 0.0000 1 18 3 5 THR H H 8.1270 0.0000 1 19 3 5 THR HA H 4.3520 0.0000 1 20 3 5 THR HB H 4.3170 0.0000 1 21 3 5 THR HG2 H 1.1540 0.0000 1 22 3 5 THR C C 174.8140 0.0000 1 23 3 5 THR CA C 61.3000 0.0000 1 24 3 5 THR CB C 69.4130 0.0000 1 25 3 5 THR CG2 C 21.8710 0.0000 1 26 3 5 THR N N 113.3880 0.0000 1 27 4 6 SER H H 8.2800 0.0000 1 28 4 6 SER HA H 4.5130 0.0000 1 29 4 6 SER HB2 H 3.8620 0.0000 2 30 4 6 SER HB3 H 3.8410 0.0000 2 31 4 6 SER C C 174.7180 0.0000 1 32 4 6 SER CA C 58.3920 0.0000 1 33 4 6 SER CB C 63.6180 0.0000 1 34 4 6 SER N N 118.0460 0.0000 1 35 5 7 SER H H 8.3340 0.0000 1 36 5 7 SER HA H 4.4840 0.0000 1 37 5 7 SER HB2 H 3.9560 0.0000 2 38 5 7 SER HB3 H 3.8920 0.0000 2 39 5 7 SER C C 173.9170 0.0000 1 40 5 7 SER CA C 58.3920 0.0000 1 41 5 7 SER CB C 63.6180 0.0000 1 42 5 7 SER N N 118.0510 0.0000 1 43 6 8 GLU H H 8.0410 0.0000 1 44 6 8 GLU HA H 4.2970 0.0000 1 45 6 8 GLU HB2 H 2.0100 0.0000 2 46 6 8 GLU HB3 H 1.9230 0.0000 2 47 6 8 GLU HG2 H 2.2970 0.0000 2 48 6 8 GLU C C 175.3870 0.0000 1 49 6 8 GLU CA C 56.0740 0.0000 1 50 6 8 GLU CB C 31.1540 0.0000 1 51 6 8 GLU CG C 36.3700 0.0000 1 52 6 8 GLU N N 124.6870 0.0000 1 53 7 9 GLU H H 8.5830 0.0000 1 54 7 9 GLU HA H 4.2040 0.0000 1 55 7 9 GLU HB2 H 2.0160 0.0000 2 56 7 9 GLU HG2 H 2.3000 0.0000 2 57 7 9 GLU HG3 H 2.1360 0.0000 2 58 7 9 GLU C C 175.0220 0.0000 1 59 7 9 GLU CA C 57.2330 0.0000 1 60 7 9 GLU CB C 30.5740 0.0000 1 61 7 9 GLU CG C 35.7900 0.0000 1 62 7 9 GLU N N 126.7570 0.0000 1 63 8 10 VAL H H 8.4200 0.0000 1 64 8 10 VAL HA H 4.2710 0.0000 1 65 8 10 VAL HB H 2.1000 0.0000 1 66 8 10 VAL HG1 H 0.9500 0.0000 1 67 8 10 VAL HG2 H 1.1400 0.0000 1 68 8 10 VAL C C 176.1490 0.0000 1 69 8 10 VAL CA C 61.8790 0.0000 1 70 8 10 VAL CB C 32.8930 0.0000 1 71 8 10 VAL CG1 C 21.8710 0.0000 1 72 8 10 VAL CG2 C 21.8710 0.0000 1 73 8 10 VAL N N 125.6910 0.0000 1 74 9 11 LEU H H 9.5450 0.0000 1 75 9 11 LEU HA H 4.4020 0.0000 1 76 9 11 LEU HB2 H 1.4750 0.0000 1 77 9 11 LEU HB3 H 1.5700 0.0000 1 78 9 11 LEU HG H 1.4720 0.0000 1 79 9 11 LEU HD1 H 0.9060 0.0000 1 80 9 11 LEU HD2 H 0.8290 0.0000 1 81 9 11 LEU C C 177.4610 0.0000 1 82 9 11 LEU CA C 56.0740 0.0000 1 83 9 11 LEU CB C 42.7450 0.0000 1 84 9 11 LEU CG C 28.2560 0.0000 1 85 9 11 LEU CD1 C 26.5180 0.0000 1 86 9 11 LEU CD2 C 22.4510 0.0000 1 87 9 11 LEU N N 128.9170 0.0000 1 88 10 12 LEU H H 7.6790 0.0000 1 89 10 12 LEU HA H 4.4380 0.0000 1 90 10 12 LEU HB2 H 1.5720 0.0000 1 91 10 12 LEU HB3 H 1.5200 0.0000 1 92 10 12 LEU HG H 1.3950 0.0000 1 93 10 12 LEU HD1 H 0.9890 0.0000 1 94 10 12 LEU HD2 H 0.7860 0.0000 1 95 10 12 LEU C C 173.0920 0.0000 1 96 10 12 LEU CA C 55.4940 0.0000 1 97 10 12 LEU CB C 45.6420 0.0000 1 98 10 12 LEU CG C 27.0970 0.0000 1 99 10 12 LEU CD1 C 22.4510 0.0000 1 100 10 12 LEU CD2 C 26.5180 0.0000 1 101 10 12 LEU N N 120.2420 0.0000 1 102 11 13 ILE H H 8.0640 0.0000 1 103 11 13 ILE HA H 4.7910 0.0000 1 104 11 13 ILE HB H 1.3060 0.0000 1 105 11 13 ILE HG12 H 1.2500 0.0000 2 106 11 13 ILE HG13 H 0.1890 0.0000 2 107 11 13 ILE HG2 H 0.2410 0.0000 1 108 11 13 ILE HD1 H 0.7210 0.0000 1 109 11 13 ILE C C 175.9240 0.0000 1 110 11 13 ILE CA C 60.1300 0.0000 1 111 11 13 ILE CB C 40.4260 0.0000 1 112 11 13 ILE CG1 C 27.0970 0.0000 1 113 11 13 ILE CG2 C 16.0760 0.0000 1 114 11 13 ILE CD1 C 14.3370 0.0000 1 115 11 13 ILE N N 126.0810 0.0000 1 116 12 14 VAL H H 9.2470 0.0000 1 117 12 14 VAL HA H 4.3320 0.0000 1 118 12 14 VAL HB H 1.8970 0.0000 1 119 12 14 VAL HG1 H 1.1520 0.0000 1 120 12 14 VAL HG2 H 0.8630 0.0000 1 121 12 14 VAL C C 174.9920 0.0000 1 122 12 14 VAL CA C 61.3000 0.0000 1 123 12 14 VAL CB C 34.0520 0.0000 1 124 12 14 VAL CG1 C 22.4510 0.0000 1 125 12 14 VAL CG2 C 20.1330 0.0000 1 126 12 14 VAL N N 128.9670 0.0000 1 127 13 15 LYS H H 8.6050 0.0000 1 128 13 15 LYS HA H 4.4410 0.0000 1 129 13 15 LYS HB2 H 1.7970 0.0000 1 130 13 15 LYS HB3 H 1.9390 0.0000 1 131 13 15 LYS HG2 H 1.5120 0.0000 2 132 13 15 LYS HG3 H 1.3350 0.0000 2 133 13 15 LYS HD2 H 1.6500 0.0000 2 134 13 15 LYS HE2 H 2.9340 0.0000 2 135 13 15 LYS HE3 H 2.9070 0.0000 2 136 13 15 LYS C C 176.0550 0.0000 1 137 13 15 LYS CA C 55.4940 0.0000 1 138 13 15 LYS CB C 33.4720 0.0000 1 139 13 15 LYS CG C 25.9380 0.0000 1 140 13 15 LYS CD C 28.8360 0.0000 1 141 13 15 LYS CE C 41.5850 0.0000 1 142 13 15 LYS N N 126.2440 0.0000 1 143 14 16 LYS H H 8.6820 0.0000 1 144 14 16 LYS HA H 4.2280 0.0000 1 145 14 16 LYS HB2 H 1.7980 0.0000 1 146 14 16 LYS HB3 H 2.1060 0.0000 1 147 14 16 LYS HG2 H 1.3900 0.0000 2 148 14 16 LYS HG3 H 1.3590 0.0000 2 149 14 16 LYS HD2 H 1.6940 0.0000 2 150 14 16 LYS HD3 H 1.6370 0.0000 2 151 14 16 LYS HE2 H 2.9830 0.0000 2 152 14 16 LYS C C 176.3750 0.0000 1 153 14 16 LYS CA C 56.6530 0.0000 1 154 14 16 LYS CB C 28.8360 0.0000 1 155 14 16 LYS CG C 24.7790 0.0000 1 156 14 16 LYS CD C 28.8360 0.0000 1 157 14 16 LYS CE C 42.1650 0.0000 1 158 14 16 LYS N N 116.9950 0.0000 1 159 15 17 VAL H H 8.3710 0.0000 1 160 15 17 VAL HA H 4.5960 0.0000 1 161 15 17 VAL HB H 1.6490 0.0000 1 162 15 17 VAL HG1 H 0.4530 0.0000 1 163 15 17 VAL HG2 H 0.4870 0.0000 1 164 15 17 VAL C C 176.6260 0.0000 1 165 15 17 VAL CA C 61.3000 0.0000 1 166 15 17 VAL CB C 32.8930 0.0000 1 167 15 17 VAL CG1 C 22.4510 0.0000 1 168 15 17 VAL CG2 C 23.0300 0.0000 1 169 15 17 VAL N N 122.5400 0.0000 1 170 16 18 ARG H H 9.9320 0.0000 1 171 16 18 ARG HA H 5.6910 0.0000 1 172 16 18 ARG HB2 H 1.6620 0.0000 1 173 16 18 ARG HB3 H 1.9000 0.0000 1 174 16 18 ARG HG2 H 1.5940 0.0000 2 175 16 18 ARG HG3 H 1.5240 0.0000 2 176 16 18 ARG HD2 H 3.2880 0.0000 2 177 16 18 ARG HD3 H 3.0270 0.0000 2 178 16 18 ARG C C 175.9720 0.0000 1 179 16 18 ARG CA C 54.9150 0.0000 1 180 16 18 ARG CB C 33.4720 0.0000 1 181 16 18 ARG CG C 28.2560 0.0000 1 182 16 18 ARG CD C 43.9040 0.0000 1 183 16 18 ARG N N 130.8860 0.0000 1 184 17 19 GLN H H 8.2200 0.0000 1 185 17 19 GLN HA H 4.2690 0.0000 1 186 17 19 GLN HB2 H 0.4510 0.0000 2 187 17 19 GLN HB3 H 0.3570 0.0000 2 188 17 19 GLN HG2 H 1.6430 0.0000 2 189 17 19 GLN HG3 H 1.1520 0.0000 2 190 17 19 GLN HE21 H 5.7680 0.0000 2 191 17 19 GLN HE22 H 6.6670 0.0000 2 192 17 19 GLN C C 174.8390 0.0000 1 193 17 19 GLN CA C 56.0740 0.0000 1 194 17 19 GLN CB C 28.8360 0.0000 1 195 17 19 GLN CG C 34.0520 0.0000 1 196 17 19 GLN N N 124.1310 0.0000 1 197 17 19 GLN NE2 N 111.1580 0.0000 1 198 18 20 LYS H H 9.5110 0.0000 1 199 18 20 LYS HA H 3.7520 0.0000 1 200 18 20 LYS HB2 H 1.9180 0.0000 2 201 18 20 LYS HB3 H 1.6690 0.0000 2 202 18 20 LYS HG2 H 1.3960 0.0000 2 203 18 20 LYS HG3 H 1.2850 0.0000 2 204 18 20 LYS HD2 H 1.6600 0.0000 2 205 18 20 LYS HE2 H 2.9950 0.0000 2 206 18 20 LYS C C 175.5530 0.0000 1 207 18 20 LYS CA C 57.8120 0.0000 1 208 18 20 LYS CB C 29.9950 0.0000 1 209 18 20 LYS CG C 25.3590 0.0000 1 210 18 20 LYS CD C 29.4150 0.0000 1 211 18 20 LYS CE C 42.1650 0.0000 1 212 18 20 LYS N N 127.9820 0.0000 1 213 19 21 LYS H H 8.8500 0.0000 1 214 19 21 LYS HA H 3.7200 0.0000 1 215 19 21 LYS HB2 H 2.1420 0.0000 2 216 19 21 LYS HB3 H 2.0600 0.0000 2 217 19 21 LYS HG2 H 1.3460 0.0000 2 218 19 21 LYS HD2 H 1.6940 0.0000 2 219 19 21 LYS HD3 H 1.6420 0.0000 2 220 19 21 LYS HE2 H 2.9640 0.0000 2 221 19 21 LYS C C 174.9530 0.0000 1 222 19 21 LYS CA C 57.8120 0.0000 1 223 19 21 LYS CB C 29.9950 0.0000 1 224 19 21 LYS CG C 25.3590 0.0000 1 225 19 21 LYS CD C 29.4150 0.0000 1 226 19 21 LYS CE C 42.1650 0.0000 1 227 19 21 LYS N N 110.5150 0.0000 1 228 20 22 GLN H H 7.7300 0.0000 1 229 20 22 GLN HA H 4.7520 0.0000 1 230 20 22 GLN HB2 H 2.5170 0.0000 2 231 20 22 GLN HB3 H 2.4160 0.0000 2 232 20 22 GLN HG2 H 2.6240 0.0000 2 233 20 22 GLN HE21 H 6.9640 0.0000 2 234 20 22 GLN HE22 H 7.6510 0.0000 2 235 20 22 GLN C C 175.3690 0.0000 1 236 20 22 GLN CA C 54.3350 0.0000 1 237 20 22 GLN CB C 31.7330 0.0000 1 238 20 22 GLN CG C 34.0520 0.0000 1 239 20 22 GLN N N 120.0380 0.0000 1 240 20 22 GLN NE2 N 112.8720 0.0000 1 241 21 23 ASP H H 8.8290 0.0000 1 242 21 23 ASP HA H 4.6710 0.0000 1 243 21 23 ASP HB2 H 2.6250 0.0000 1 244 21 23 ASP HB3 H 2.6930 0.0000 1 245 21 23 ASP C C 177.0880 0.0000 1 246 21 23 ASP CA C 56.0740 0.0000 1 247 21 23 ASP CB C 42.1650 0.0000 1 248 21 23 ASP N N 124.3710 0.0000 1 249 22 24 GLY H H 7.8250 0.0000 1 250 22 24 GLY HA2 H 4.1320 0.0000 2 251 22 24 GLY HA3 H 4.0160 0.0000 2 252 22 24 GLY C C 170.5070 0.0000 1 253 22 24 GLY CA C 46.8010 0.0000 1 254 22 24 GLY N N 113.1500 0.0000 1 255 23 25 ALA H H 7.8420 0.0000 1 256 23 25 ALA HA H 5.1490 0.0000 1 257 23 25 ALA HB H 1.2490 0.0000 1 258 23 25 ALA C C 173.5960 0.0000 1 259 23 25 ALA CA C 50.2780 0.0000 1 260 23 25 ALA CB C 22.4510 0.0000 1 261 23 25 ALA N N 122.7080 0.0000 1 262 24 26 LEU H H 9.0220 0.0000 1 263 24 26 LEU HA H 4.9430 0.0000 1 264 24 26 LEU HB2 H 1.8550 0.0000 1 265 24 26 LEU HB3 H 0.9570 0.0000 1 266 24 26 LEU HG H 1.3050 0.0000 1 267 24 26 LEU HD1 H 0.5570 0.0000 1 268 24 26 LEU HD2 H 0.2410 0.0000 1 269 24 26 LEU C C 173.8070 0.0000 1 270 24 26 LEU CA C 53.1760 0.0000 1 271 24 26 LEU CB C 47.3810 0.0000 1 272 24 26 LEU CG C 26.5180 0.0000 1 273 24 26 LEU CD1 C 26.5180 0.0000 1 274 24 26 LEU CD2 C 23.0300 0.0000 1 275 24 26 LEU N N 124.5490 0.0000 1 276 25 27 TYR H H 9.6230 0.0000 1 277 25 27 TYR HA H 5.0010 0.0000 1 278 25 27 TYR HB2 H 2.6830 0.0000 1 279 25 27 TYR HB3 H 2.7920 0.0000 1 280 25 27 TYR HD1 H 7.1180 0.0000 3 281 25 27 TYR HD2 H 7.1180 0.0000 3 282 25 27 TYR HE1 H 6.7320 0.0000 3 283 25 27 TYR HE2 H 6.7320 0.0000 3 284 25 27 TYR C C 174.2200 0.0000 1 285 25 27 TYR CA C 56.6530 0.0000 1 286 25 27 TYR CB C 41.0060 0.0000 1 287 25 27 TYR CD1 C 133.1510 0.0000 3 288 25 27 TYR CD2 C 133.1510 0.0000 3 289 25 27 TYR CE1 C 118.0840 0.0000 3 290 25 27 TYR CE2 C 118.0840 0.0000 3 291 25 27 TYR N N 126.3080 0.0000 1 292 26 28 LEU H H 9.2940 0.0000 1 293 26 28 LEU HA H 4.8330 0.0000 1 294 26 28 LEU HB2 H 1.7960 0.0000 2 295 26 28 LEU HG H 1.9070 0.0000 1 296 26 28 LEU HD1 H 1.0650 0.0000 1 297 26 28 LEU HD2 H 1.0220 0.0000 1 298 26 28 LEU C C 175.3350 0.0000 1 299 26 28 LEU CA C 56.6530 0.0000 1 300 26 28 LEU CB C 41.5850 0.0000 1 301 26 28 LEU CG C 31.7330 0.0000 1 302 26 28 LEU CD1 C 27.0970 0.0000 1 303 26 28 LEU CD2 C 24.7790 0.0000 1 304 26 28 LEU N N 125.7980 0.0000 1 305 27 29 MET H H 8.8910 0.0000 1 306 27 29 MET HA H 5.3420 0.0000 1 307 27 29 MET HB2 H 2.5240 0.0000 1 308 27 29 MET HB3 H 2.1040 0.0000 1 309 27 29 MET HG2 H 2.5910 0.0000 2 310 27 29 MET HG3 H 2.3390 0.0000 2 311 27 29 MET HE H 1.6590 0.0000 1 312 27 29 MET C C 176.1340 0.0000 1 313 27 29 MET CA C 53.7560 0.0000 1 314 27 29 MET CB C 34.0520 0.0000 1 315 27 29 MET CG C 34.0520 0.0000 1 316 27 29 MET CE C 18.3940 0.0000 1 317 27 29 MET N N 123.4290 0.0000 1 318 28 30 ALA H H 8.0280 0.0000 1 319 28 30 ALA HA H 4.2390 0.0000 1 320 28 30 ALA HB H 1.7030 0.0000 1 321 28 30 ALA C C 178.8720 0.0000 1 322 28 30 ALA CA C 56.0740 0.0000 1 323 28 30 ALA CB C 19.5530 0.0000 1 324 28 30 ALA N N 122.2220 0.0000 1 325 29 31 GLU H H 8.6310 0.0000 1 326 29 31 GLU HA H 4.3400 0.0000 1 327 29 31 GLU HB2 H 1.9490 0.0000 2 328 29 31 GLU HB3 H 1.7320 0.0000 2 329 29 31 GLU HG2 H 2.3070 0.0000 2 330 29 31 GLU HG3 H 2.1610 0.0000 2 331 29 31 GLU C C 175.5340 0.0000 1 332 29 31 GLU CA C 55.4940 0.0000 1 333 29 31 GLU CB C 31.7330 0.0000 1 334 29 31 GLU CG C 36.3700 0.0000 1 335 29 31 GLU N N 109.0570 0.0000 1 336 30 32 ARG H H 6.5940 0.0000 1 337 30 32 ARG HA H 3.8900 0.0000 1 338 30 32 ARG HB2 H 1.9030 0.0000 1 339 30 32 ARG HB3 H 1.0390 0.0000 1 340 30 32 ARG HG2 H 1.3470 0.0000 2 341 30 32 ARG HG3 H 0.8250 0.0000 2 342 30 32 ARG HD2 H 2.7990 0.0000 2 343 30 32 ARG HD3 H 2.6580 0.0000 2 344 30 32 ARG C C 170.4210 0.0000 1 345 30 32 ARG CA C 53.1760 0.0000 1 346 30 32 ARG CB C 33.4720 0.0000 1 347 30 32 ARG CG C 24.7790 0.0000 1 348 30 32 ARG CD C 43.9040 0.0000 1 349 30 32 ARG N N 116.8780 0.0000 1 350 31 33 ILE H H 8.2750 0.0000 1 351 31 33 ILE HA H 5.1880 0.0000 1 352 31 33 ILE HB H 2.0010 0.0000 1 353 31 33 ILE HG12 H 1.8490 0.0000 2 354 31 33 ILE HG13 H 0.9400 0.0000 2 355 31 33 ILE HG2 H 1.1150 0.0000 1 356 31 33 ILE HD1 H 0.9790 0.0000 1 357 31 33 ILE C C 171.4850 0.0000 1 358 31 33 ILE CA C 57.8120 0.0000 1 359 31 33 ILE CB C 41.5850 0.0000 1 360 31 33 ILE CG1 C 28.8360 0.0000 1 361 31 33 ILE CG2 C 16.0760 0.0000 1 362 31 33 ILE CD1 C 14.9170 0.0000 1 363 31 33 ILE N N 118.7080 0.0000 1 364 32 34 ALA H H 9.2420 0.0000 1 365 32 34 ALA HA H 5.0240 0.0000 1 366 32 34 ALA HB H 0.3070 0.0000 1 367 32 34 ALA C C 173.9620 0.0000 1 368 32 34 ALA CA C 50.2780 0.0000 1 369 32 34 ALA CB C 21.8710 0.0000 1 370 32 34 ALA N N 129.7650 0.0000 1 371 33 35 TRP H H 8.7770 0.0000 1 372 33 35 TRP HA H 5.7440 0.0000 1 373 33 35 TRP HB2 H 3.2360 0.0000 2 374 33 35 TRP HB3 H 3.0040 0.0000 2 375 33 35 TRP HD1 H 6.4470 0.0000 1 376 33 35 TRP HE1 H 9.9860 0.0000 1 377 33 35 TRP HE3 H 7.5500 0.0000 1 378 33 35 TRP HZ2 H 7.8400 0.0000 1 379 33 35 TRP HZ3 H 7.1140 0.0000 1 380 33 35 TRP HH2 H 7.1820 0.0000 1 381 33 35 TRP C C 174.3250 0.0000 1 382 33 35 TRP CA C 56.6530 0.0000 1 383 33 35 TRP CB C 34.0520 0.0000 1 384 33 35 TRP CD1 C 125.6170 0.0000 1 385 33 35 TRP CE3 C 120.4020 0.0000 1 386 33 35 TRP CZ2 C 115.1860 0.0000 1 387 33 35 TRP CZ3 C 122.1400 0.0000 1 388 33 35 TRP CH2 C 124.4580 0.0000 1 389 33 35 TRP N N 121.1780 0.0000 1 390 33 35 TRP NE1 N 129.5020 0.0000 1 391 34 36 ALA H H 8.0810 0.0000 1 392 34 36 ALA HA H 5.0840 0.0000 1 393 34 36 ALA HB H 1.0780 0.0000 1 394 34 36 ALA CA C 47.9600 0.0000 1 395 34 36 ALA CB C 22.4510 0.0000 1 396 34 36 ALA N N 130.9650 0.0000 1 397 35 37 PRO HA H 4.0900 0.0000 1 398 35 37 PRO HB2 H 1.8110 0.0000 2 399 35 37 PRO HB3 H 2.3800 0.0000 2 400 35 37 PRO HG2 H 2.2080 0.0000 2 401 35 37 PRO HG3 H 1.9930 0.0000 2 402 35 37 PRO HD2 H 3.9730 0.0000 2 403 35 37 PRO HD3 H 3.5720 0.0000 2 404 35 37 PRO C C 177.4350 0.0000 1 405 35 37 PRO CA C 61.8790 0.0000 1 406 35 37 PRO CB C 31.7330 0.0000 1 407 35 37 PRO CG C 27.0970 0.0000 1 408 35 37 PRO CD C 50.8580 0.0000 1 409 36 38 GLU H H 8.7170 0.0000 1 410 36 38 GLU HA H 4.1040 0.0000 1 411 36 38 GLU HB2 H 1.9780 0.0000 2 412 36 38 GLU HB3 H 1.9780 0.0000 2 413 36 38 GLU HG2 H 2.2620 0.0000 2 414 36 38 GLU C C 177.1650 0.0000 1 415 36 38 GLU CA C 57.8120 0.0000 1 416 36 38 GLU CB C 29.4150 0.0000 1 417 36 38 GLU CG C 35.7900 0.0000 1 418 36 38 GLU N N 124.4440 0.0000 1 419 37 39 GLY H H 8.6470 0.0000 1 420 37 39 GLY HA2 H 4.2060 0.0000 2 421 37 39 GLY HA3 H 3.6950 0.0000 2 422 37 39 GLY C C 174.0190 0.0000 1 423 37 39 GLY CA C 45.0630 0.0000 1 424 37 39 GLY N N 112.1660 0.0000 1 425 38 40 LYS H H 7.6450 0.0000 1 426 38 40 LYS HA H 4.6080 0.0000 1 427 38 40 LYS HB2 H 1.8750 0.0000 2 428 38 40 LYS HB3 H 1.8200 0.0000 2 429 38 40 LYS HG2 H 1.4250 0.0000 2 430 38 40 LYS HG3 H 1.3470 0.0000 2 431 38 40 LYS HD2 H 1.6690 0.0000 2 432 38 40 LYS HD3 H 1.6010 0.0000 2 433 38 40 LYS HE2 H 2.9790 0.0000 2 434 38 40 LYS HE3 H 2.9570 0.0000 2 435 38 40 LYS C C 175.7560 0.0000 1 436 38 40 LYS CA C 54.3350 0.0000 1 437 38 40 LYS CB C 34.0520 0.0000 1 438 38 40 LYS CG C 25.3590 0.0000 1 439 38 40 LYS CD C 28.2560 0.0000 1 440 38 40 LYS CE C 42.1650 0.0000 1 441 38 40 LYS N N 119.9360 0.0000 1 442 39 41 ASP H H 8.2020 0.0000 1 443 39 41 ASP HA H 4.4040 0.0000 1 444 39 41 ASP HB2 H 2.6560 0.0000 2 445 39 41 ASP HB3 H 2.5160 0.0000 2 446 39 41 ASP C C 174.8500 0.0000 1 447 39 41 ASP CA C 53.1760 0.0000 1 448 39 41 ASP CB C 40.4260 0.0000 1 449 39 41 ASP N N 120.1410 0.0000 1 450 40 42 ARG H H 6.8560 0.0000 1 451 40 42 ARG HA H 4.2280 0.0000 1 452 40 42 ARG HB2 H 1.6660 0.0000 2 453 40 42 ARG HB3 H 1.5690 0.0000 2 454 40 42 ARG HG2 H 1.4290 0.0000 2 455 40 42 ARG HD2 H 3.1130 0.0000 2 456 40 42 ARG C C 174.5570 0.0000 1 457 40 42 ARG CA C 53.7560 0.0000 1 458 40 42 ARG CB C 32.3130 0.0000 1 459 40 42 ARG CG C 25.9380 0.0000 1 460 40 42 ARG CD C 43.3240 0.0000 1 461 40 42 ARG N N 116.6700 0.0000 1 462 41 43 PHE H H 7.8880 0.0000 1 463 41 43 PHE HA H 4.7080 0.0000 1 464 41 43 PHE HB2 H 3.1970 0.0000 1 465 41 43 PHE HB3 H 2.7390 0.0000 1 466 41 43 PHE HD1 H 6.9090 0.0000 3 467 41 43 PHE HD2 H 6.9090 0.0000 3 468 41 43 PHE HE1 H 6.5150 0.0000 3 469 41 43 PHE HE2 H 6.5150 0.0000 3 470 41 43 PHE HZ H 6.4990 0.0000 1 471 41 43 PHE C C 177.5100 0.0000 1 472 41 43 PHE CA C 57.2330 0.0000 1 473 41 43 PHE CB C 38.6880 0.0000 1 474 41 43 PHE CD1 C 131.4130 0.0000 3 475 41 43 PHE CD2 C 131.4130 0.0000 3 476 41 43 PHE CE1 C 131.4130 0.0000 3 477 41 43 PHE CE2 C 131.4130 0.0000 3 478 41 43 PHE CZ C 128.5150 0.0000 1 479 41 43 PHE N N 120.0170 0.0000 1 480 42 44 THR H H 8.6740 0.0000 1 481 42 44 THR HA H 4.5950 0.0000 1 482 42 44 THR HB H 4.5090 0.0000 1 483 42 44 THR HG2 H 1.2820 0.0000 1 484 42 44 THR C C 174.7730 0.0000 1 485 42 44 THR CA C 62.4590 0.0000 1 486 42 44 THR CB C 68.8330 0.0000 1 487 42 44 THR CG2 C 23.0300 0.0000 1 488 42 44 THR N N 114.4420 0.0000 1 489 43 45 ILE H H 7.8720 0.0000 1 490 43 45 ILE HA H 4.3010 0.0000 1 491 43 45 ILE HB H 1.9820 0.0000 1 492 43 45 ILE HG12 H 1.5260 0.0000 2 493 43 45 ILE HG13 H 1.3070 0.0000 2 494 43 45 ILE HG2 H 0.6530 0.0000 1 495 43 45 ILE HD1 H 0.6700 0.0000 1 496 43 45 ILE C C 174.6950 0.0000 1 497 43 45 ILE CA C 59.5510 0.0000 1 498 43 45 ILE CB C 41.5850 0.0000 1 499 43 45 ILE CG1 C 27.0970 0.0000 1 500 43 45 ILE CG2 C 16.6560 0.0000 1 501 43 45 ILE CD1 C 12.5990 0.0000 1 502 43 45 ILE N N 123.8200 0.0000 1 503 44 46 SER H H 8.0750 0.0000 1 504 44 46 SER HA H 4.7170 0.0000 1 505 44 46 SER HB2 H 3.5470 0.0000 1 506 44 46 SER HB3 H 3.3130 0.0000 1 507 44 46 SER C C 172.7990 0.0000 1 508 44 46 SER CA C 57.2330 0.0000 1 509 44 46 SER CB C 63.0380 0.0000 1 510 44 46 SER N N 120.3790 0.0000 1 511 45 47 HIS H H 9.0370 0.0000 1 512 45 47 HIS HA H 5.2710 0.0000 1 513 45 47 HIS HB2 H 2.6330 0.0000 1 514 45 47 HIS HB3 H 2.8440 0.0000 1 515 45 47 HIS HD2 H 6.3950 0.0000 1 516 45 47 HIS C C 175.0110 0.0000 1 517 45 47 HIS CA C 53.1760 0.0000 1 518 45 47 HIS CB C 31.7330 0.0000 1 519 45 47 HIS CD2 C 122.7200 0.0000 1 520 45 47 HIS N N 125.6770 0.0000 1 521 46 48 MET H H 9.2330 0.0000 1 522 46 48 MET HA H 4.3450 0.0000 1 523 46 48 MET HB2 H 2.4610 0.0000 1 524 46 48 MET HB3 H 1.9630 0.0000 1 525 46 48 MET HG2 H 2.7820 0.0000 2 526 46 48 MET HG3 H 2.5910 0.0000 2 527 46 48 MET HE H 2.0240 0.0000 1 528 46 48 MET C C 178.9730 0.0000 1 529 46 48 MET CA C 54.3350 0.0000 1 530 46 48 MET CB C 29.4150 0.0000 1 531 46 48 MET CG C 32.3130 0.0000 1 532 46 48 MET CE C 16.6560 0.0000 1 533 46 48 MET N N 124.5090 0.0000 1 534 47 49 TYR H H 7.7660 0.0000 1 535 47 49 TYR HA H 4.3290 0.0000 1 536 47 49 TYR HB2 H 2.9470 0.0000 1 537 47 49 TYR HB3 H 2.3260 0.0000 1 538 47 49 TYR HD1 H 6.6030 0.0000 3 539 47 49 TYR HD2 H 6.6030 0.0000 3 540 47 49 TYR HE1 H 6.6040 0.0000 3 541 47 49 TYR HE2 H 6.6040 0.0000 3 542 47 49 TYR C C 179.2470 0.0000 1 543 47 49 TYR CA C 60.1300 0.0000 1 544 47 49 TYR CB C 36.9490 0.0000 1 545 47 49 TYR CD1 C 130.2540 0.0000 3 546 47 49 TYR CD2 C 130.2540 0.0000 3 547 47 49 TYR CE1 C 119.8220 0.0000 3 548 47 49 TYR CE2 C 119.8220 0.0000 3 549 47 49 TYR N N 125.1700 0.0000 1 550 48 50 ALA H H 8.8050 0.0000 1 551 48 50 ALA HA H 4.3870 0.0000 1 552 48 50 ALA HB H 1.5290 0.0000 1 553 48 50 ALA C C 178.2130 0.0000 1 554 48 50 ALA CA C 53.7560 0.0000 1 555 48 50 ALA CB C 19.5530 0.0000 1 556 48 50 ALA N N 119.4430 0.0000 1 557 49 51 ASP H H 7.8460 0.0000 1 558 49 51 ASP HA H 5.0180 0.0000 1 559 49 51 ASP HB2 H 3.0560 0.0000 1 560 49 51 ASP HB3 H 2.9230 0.0000 1 561 49 51 ASP C C 175.7730 0.0000 1 562 49 51 ASP CA C 54.9150 0.0000 1 563 49 51 ASP CB C 41.5850 0.0000 1 564 49 51 ASP N N 115.6580 0.0000 1 565 50 52 ILE H H 7.6620 0.0000 1 566 50 52 ILE HA H 3.8280 0.0000 1 567 50 52 ILE HB H 2.0530 0.0000 1 568 50 52 ILE HG12 H 1.9050 0.0000 2 569 50 52 ILE HG13 H 0.5400 0.0000 2 570 50 52 ILE HG2 H 0.7640 0.0000 1 571 50 52 ILE HD1 H 0.9660 0.0000 1 572 50 52 ILE C C 172.8850 0.0000 1 573 50 52 ILE CA C 61.8790 0.0000 1 574 50 52 ILE CB C 39.2670 0.0000 1 575 50 52 ILE CG1 C 27.0970 0.0000 1 576 50 52 ILE CG2 C 18.3940 0.0000 1 577 50 52 ILE CD1 C 15.4970 0.0000 1 578 50 52 ILE N N 125.0040 0.0000 1 579 51 53 LYS H H 9.1410 0.0000 1 580 51 53 LYS HA H 3.6610 0.0000 1 581 51 53 LYS HB2 H 1.2830 0.0000 1 582 51 53 LYS HB3 H 0.8140 0.0000 1 583 51 53 LYS HG2 H 1.3420 0.0000 2 584 51 53 LYS HG3 H 1.0860 0.0000 2 585 51 53 LYS HD2 H 1.6780 0.0000 2 586 51 53 LYS HD3 H 1.5380 0.0000 2 587 51 53 LYS HE2 H 2.9400 0.0000 2 588 51 53 LYS C C 176.6950 0.0000 1 589 51 53 LYS CA C 57.8120 0.0000 1 590 51 53 LYS CB C 34.0520 0.0000 1 591 51 53 LYS CG C 24.7790 0.0000 1 592 51 53 LYS CD C 29.9950 0.0000 1 593 51 53 LYS CE C 41.5850 0.0000 1 594 51 53 LYS N N 128.6840 0.0000 1 595 52 54 CYS H H 7.7900 0.0000 1 596 52 54 CYS HA H 4.7420 0.0000 1 597 52 54 CYS HB2 H 3.1530 0.0000 2 598 52 54 CYS C C 170.0900 0.0000 1 599 52 54 CYS CA C 55.4940 0.0000 1 600 52 54 CYS CB C 29.4150 0.0000 1 601 52 54 CYS N N 110.5340 0.0000 1 602 53 55 GLN H H 8.4550 0.0000 1 603 53 55 GLN HA H 5.8000 0.0000 1 604 53 55 GLN HB2 H 1.5930 0.0000 2 605 53 55 GLN HG2 H 2.2680 0.0000 2 606 53 55 GLN HG3 H 2.0850 0.0000 2 607 53 55 GLN HE21 H 6.4920 0.0000 2 608 53 55 GLN HE22 H 7.1360 0.0000 2 609 53 55 GLN C C 174.5280 0.0000 1 610 53 55 GLN CA C 52.5970 0.0000 1 611 53 55 GLN CB C 31.7340 0.0000 1 612 53 55 GLN CG C 31.7340 0.0000 1 613 53 55 GLN N N 116.6890 0.0000 1 614 53 55 GLN NE2 N 104.8130 0.0000 1 615 54 56 LYS H H 9.3440 0.0000 1 616 54 56 LYS HA H 5.1790 0.0000 1 617 54 56 LYS HB2 H 1.7990 0.0000 1 618 54 56 LYS HB3 H 1.5920 0.0000 1 619 54 56 LYS HG2 H 1.2790 0.0000 2 620 54 56 LYS HG3 H 1.1620 0.0000 2 621 54 56 LYS HD2 H 1.5220 0.0000 2 622 54 56 LYS HD3 H 1.4800 0.0000 2 623 54 56 LYS HE2 H 2.7650 0.0000 2 624 54 56 LYS HE3 H 2.6330 0.0000 2 625 54 56 LYS C C 175.2560 0.0000 1 626 54 56 LYS CA C 54.3350 0.0000 1 627 54 56 LYS CB C 36.9490 0.0000 1 628 54 56 LYS CG C 25.3590 0.0000 1 629 54 56 LYS CD C 29.4150 0.0000 1 630 54 56 LYS CE C 42.1650 0.0000 1 631 54 56 LYS N N 119.5940 0.0000 1 632 55 57 ILE H H 8.9180 0.0000 1 633 55 57 ILE HA H 5.3060 0.0000 1 634 55 57 ILE HB H 2.1210 0.0000 1 635 55 57 ILE HG12 H 1.5410 0.0000 2 636 55 57 ILE HG13 H 1.3210 0.0000 2 637 55 57 ILE HG2 H 1.0090 0.0000 1 638 55 57 ILE HD1 H 0.8600 0.0000 1 639 55 57 ILE C C 175.5160 0.0000 1 640 55 57 ILE CA C 59.5510 0.0000 1 641 55 57 ILE CB C 41.5860 0.0000 1 642 55 57 ILE CG1 C 25.9380 0.0000 1 643 55 57 ILE CG2 C 18.3940 0.0000 1 644 55 57 ILE CD1 C 13.7580 0.0000 1 645 55 57 ILE N N 115.7420 0.0000 1 646 56 58 SER H H 7.6350 0.0000 1 647 56 58 SER HA H 4.2410 0.0000 1 648 56 58 SER HB2 H 3.8840 0.0000 1 649 56 58 SER HB3 H 3.3270 0.0000 1 650 56 58 SER CA C 56.0740 0.0000 1 651 56 58 SER CB C 61.8790 0.0000 1 652 56 58 SER N N 119.8170 0.0000 1 653 57 59 PRO HA H 4.4710 0.0000 1 654 57 59 PRO HB2 H 1.8790 0.0000 2 655 57 59 PRO HB3 H 2.2320 0.0000 2 656 57 59 PRO HG2 H 1.8240 0.0000 2 657 57 59 PRO HG3 H 1.7910 0.0000 2 658 57 59 PRO HD2 H 3.5570 0.0000 2 659 57 59 PRO HD3 H 3.1610 0.0000 2 660 57 59 PRO C C 176.4810 0.0000 1 661 57 59 PRO CA C 62.4590 0.0000 1 662 57 59 PRO CB C 32.3130 0.0000 1 663 57 59 PRO CG C 27.0970 0.0000 1 664 57 59 PRO CD C 50.8580 0.0000 1 665 58 60 GLU H H 8.4230 0.0000 1 666 58 60 GLU HA H 4.0200 0.0000 1 667 58 60 GLU HB2 H 1.8850 0.0000 2 668 58 60 GLU HB3 H 1.8210 0.0000 2 669 58 60 GLU HG2 H 2.2410 0.0000 2 670 58 60 GLU HG3 H 2.1640 0.0000 2 671 58 60 GLU CA C 57.8120 0.0000 1 672 58 60 GLU CB C 29.4150 0.0000 1 673 58 60 GLU CG C 35.7900 0.0000 1 674 58 60 GLU N N 123.7420 0.0000 1 675 59 61 GLY H H 8.6630 0.0000 1 676 59 61 GLY HA2 H 4.1660 0.0000 2 677 59 61 GLY HA3 H 3.7270 0.0000 2 678 59 61 GLY C C 174.4550 0.0000 1 679 59 61 GLY CA C 45.0630 0.0000 1 680 59 61 GLY N N 114.0200 0.0000 1 681 60 62 LYS H H 7.2800 0.0000 1 682 60 62 LYS HA H 4.4870 0.0000 1 683 60 62 LYS HB2 H 1.8870 0.0000 1 684 60 62 LYS HB3 H 1.7450 0.0000 1 685 60 62 LYS HG2 H 1.3840 0.0000 2 686 60 62 LYS HG3 H 1.3450 0.0000 2 687 60 62 LYS HD2 H 1.6420 0.0000 2 688 60 62 LYS HD3 H 1.5660 0.0000 2 689 60 62 LYS HE2 H 2.8650 0.0000 2 690 60 62 LYS HE3 H 2.8650 0.0000 2 691 60 62 LYS C C 176.6220 0.0000 1 692 60 62 LYS CA C 54.3350 0.0000 1 693 60 62 LYS CB C 31.7330 0.0000 1 694 60 62 LYS CG C 24.7790 0.0000 1 695 60 62 LYS CD C 28.2560 0.0000 1 696 60 62 LYS CE C 42.1650 0.0000 1 697 60 62 LYS N N 120.2200 0.0000 1 698 61 63 ALA H H 8.4390 0.0000 1 699 61 63 ALA HA H 4.0580 0.0000 1 700 61 63 ALA HB H 1.4090 0.0000 1 701 61 63 ALA C C 177.9090 0.0000 1 702 61 63 ALA CA C 54.3350 0.0000 1 703 61 63 ALA CB C 18.9740 0.0000 1 704 61 63 ALA N N 126.3430 0.0000 1 705 62 64 LYS H H 7.7320 0.0000 1 706 62 64 LYS HA H 4.2300 0.0000 1 707 62 64 LYS HB2 H 1.5260 0.0000 2 708 62 64 LYS HB3 H 1.1250 0.0000 2 709 62 64 LYS HG2 H 0.9950 0.0000 2 710 62 64 LYS HG3 H 0.8020 0.0000 2 711 62 64 LYS HD2 H 1.2060 0.0000 2 712 62 64 LYS HD3 H 1.1100 0.0000 2 713 62 64 LYS HE2 H 2.5170 0.0000 2 714 62 64 LYS HE3 H 2.5170 0.0000 2 715 62 64 LYS C C 175.0460 0.0000 1 716 62 64 LYS CA C 56.0740 0.0000 1 717 62 64 LYS CB C 32.8930 0.0000 1 718 62 64 LYS CG C 24.7790 0.0000 1 719 62 64 LYS CD C 29.4150 0.0000 1 720 62 64 LYS CE C 41.0060 0.0000 1 721 62 64 LYS N N 117.5480 0.0000 1 722 63 65 ILE H H 9.0370 0.0000 1 723 63 65 ILE HA H 3.9470 0.0000 1 724 63 65 ILE HB H 2.5730 0.0000 1 725 63 65 ILE HG12 H 1.7780 0.0000 2 726 63 65 ILE HG13 H 1.4220 0.0000 2 727 63 65 ILE HG2 H 0.7520 0.0000 1 728 63 65 ILE HD1 H 0.7830 0.0000 1 729 63 65 ILE C C 176.4070 0.0000 1 730 63 65 ILE CA C 60.1300 0.0000 1 731 63 65 ILE CB C 34.6310 0.0000 1 732 63 65 ILE CG1 C 25.9380 0.0000 1 733 63 65 ILE CG2 C 17.8150 0.0000 1 734 63 65 ILE CD1 C 10.2910 0.0000 1 735 63 65 ILE N N 127.7540 0.0000 1 736 64 66 GLN H H 8.8320 0.0000 1 737 64 66 GLN HA H 6.3520 0.0000 1 738 64 66 GLN HB2 H 2.5750 0.0000 1 739 64 66 GLN HB3 H 2.0130 0.0000 1 740 64 66 GLN HG2 H 2.1400 0.0000 2 741 64 66 GLN HG3 H 1.9870 0.0000 2 742 64 66 GLN HE21 H 7.1570 0.0000 2 743 64 66 GLN HE22 H 7.4680 0.0000 2 744 64 66 GLN C C 175.3640 0.0000 1 745 64 66 GLN CA C 54.9150 0.0000 1 746 64 66 GLN CB C 37.5290 0.0000 1 747 64 66 GLN CG C 35.7900 0.0000 1 748 64 66 GLN N N 126.2710 0.0000 1 749 64 66 GLN NE2 N 112.8010 0.0000 1 750 65 67 LEU H H 9.3360 0.0000 1 751 65 67 LEU HA H 5.3520 0.0000 1 752 65 67 LEU HB2 H 2.1030 0.0000 1 753 65 67 LEU HB3 H 1.7560 0.0000 1 754 65 67 LEU HG H 1.9510 0.0000 1 755 65 67 LEU HD1 H 1.1630 0.0000 1 756 65 67 LEU HD2 H 1.0440 0.0000 1 757 65 67 LEU C C 172.7470 0.0000 1 758 65 67 LEU CA C 55.4940 0.0000 1 759 65 67 LEU CB C 50.2780 0.0000 1 760 65 67 LEU CG C 27.6770 0.0000 1 761 65 67 LEU CD1 C 25.9380 0.0000 1 762 65 67 LEU CD2 C 25.9380 0.0000 1 763 65 67 LEU N N 126.3010 0.0000 1 764 66 68 GLN H H 9.6920 0.0000 1 765 66 68 GLN HA H 5.2430 0.0000 1 766 66 68 GLN HB2 H 0.6130 0.0000 1 767 66 68 GLN HB3 H 0.9460 0.0000 1 768 66 68 GLN HG2 H 1.9090 0.0000 2 769 66 68 GLN HG3 H 1.1880 0.0000 2 770 66 68 GLN HE21 H 5.4060 0.0000 2 771 66 68 GLN HE22 H 7.0550 0.0000 2 772 66 68 GLN C C 174.6610 0.0000 1 773 66 68 GLN CA C 53.7560 0.0000 1 774 66 68 GLN CB C 34.0520 0.0000 1 775 66 68 GLN CG C 35.2110 0.0000 1 776 66 68 GLN N N 128.6230 0.0000 1 777 66 68 GLN NE2 N 107.9230 0.0000 1 778 67 69 LEU H H 8.9880 0.0000 1 779 67 69 LEU HA H 4.8680 0.0000 1 780 67 69 LEU HB2 H 1.1020 0.0000 1 781 67 69 LEU HB3 H 1.7210 0.0000 1 782 67 69 LEU HG H 1.8510 0.0000 1 783 67 69 LEU HD1 H 1.1470 0.0000 1 784 67 69 LEU HD2 H 0.9970 0.0000 1 785 67 69 LEU C C 174.9150 0.0000 1 786 67 69 LEU CA C 52.5970 0.0000 1 787 67 69 LEU CB C 43.3240 0.0000 1 788 67 69 LEU CG C 26.5180 0.0000 1 789 67 69 LEU CD1 C 27.6770 0.0000 1 790 67 69 LEU CD2 C 23.6100 0.0000 1 791 67 69 LEU N N 124.6110 0.0000 1 792 68 70 VAL H H 8.3300 0.0000 1 793 68 70 VAL HA H 4.2350 0.0000 1 794 68 70 VAL HB H 2.1440 0.0000 1 795 68 70 VAL HG1 H 0.7510 0.0000 1 796 68 70 VAL HG2 H 0.6070 0.0000 1 797 68 70 VAL C C 175.6660 0.0000 1 798 68 70 VAL CA C 60.7100 0.0000 1 799 68 70 VAL CB C 32.3130 0.0000 1 800 68 70 VAL CG1 C 20.7120 0.0000 1 801 68 70 VAL CG2 C 21.2920 0.0000 1 802 68 70 VAL N N 123.2370 0.0000 1 803 69 71 LEU H H 8.7320 0.0000 1 804 69 71 LEU HA H 4.6560 0.0000 1 805 69 71 LEU HB2 H 1.8850 0.0000 1 806 69 71 LEU HB3 H 1.7870 0.0000 1 807 69 71 LEU HG H 1.4300 0.0000 1 808 69 71 LEU HD1 H 0.4700 0.0000 1 809 69 71 LEU HD2 H 0.1690 0.0000 1 810 69 71 LEU C C 179.1040 0.0000 1 811 69 71 LEU CA C 54.3350 0.0000 1 812 69 71 LEU CB C 39.8470 0.0000 1 813 69 71 LEU CG C 27.6770 0.0000 1 814 69 71 LEU CD1 C 24.2000 0.0000 1 815 69 71 LEU CD2 C 22.4510 0.0000 1 816 69 71 LEU N N 128.8030 0.0000 1 817 70 72 HIS H H 8.1680 0.0000 1 818 70 72 HIS HA H 4.2350 0.0000 1 819 70 72 HIS HB2 H 3.0790 0.0000 2 820 70 72 HIS HB3 H 2.9980 0.0000 2 821 70 72 HIS HD2 H 6.9950 0.0000 1 822 70 72 HIS HE1 H 7.8960 0.0000 1 823 70 72 HIS C C 177.5820 0.0000 1 824 70 72 HIS CA C 60.7100 0.0000 1 825 70 72 HIS CB C 30.5740 0.0000 1 826 70 72 HIS CD2 C 118.0840 0.0000 1 827 70 72 HIS N N 122.7260 0.0000 1 828 71 73 ALA H H 8.4900 0.0000 1 829 71 73 ALA HA H 4.3110 0.0000 1 830 71 73 ALA HB H 1.5030 0.0000 1 831 71 73 ALA C C 178.1420 0.0000 1 832 71 73 ALA CA C 53.1760 0.0000 1 833 71 73 ALA CB C 18.9740 0.0000 1 834 71 73 ALA N N 118.6940 0.0000 1 835 72 74 GLY H H 7.6730 0.0000 1 836 72 74 GLY HA2 H 4.4600 0.0000 2 837 72 74 GLY HA3 H 3.5550 0.0000 2 838 72 74 GLY C C 173.7640 0.0000 1 839 72 74 GLY CA C 44.4830 0.0000 1 840 72 74 GLY N N 105.9580 0.0000 1 841 73 75 ASP H H 7.7730 0.0000 1 842 73 75 ASP HA H 4.6170 0.0000 1 843 73 75 ASP HB2 H 2.6740 0.0000 2 844 73 75 ASP HB3 H 2.4630 0.0000 2 845 73 75 ASP C C 173.8510 0.0000 1 846 73 75 ASP CA C 53.7560 0.0000 1 847 73 75 ASP CB C 41.5850 0.0000 1 848 73 75 ASP N N 119.2880 0.0000 1 849 74 76 THR H H 8.0350 0.0000 1 850 74 76 THR HA H 5.2420 0.0000 1 851 74 76 THR HB H 3.7550 0.0000 1 852 74 76 THR HG2 H 0.9600 0.0000 1 853 74 76 THR C C 174.3880 0.0000 1 854 74 76 THR CA C 59.5510 0.0000 1 855 74 76 THR CB C 72.3110 0.0000 1 856 74 76 THR CG2 C 21.8710 0.0000 1 857 74 76 THR N N 109.8120 0.0000 1 858 75 77 THR H H 8.3620 0.0000 1 859 75 77 THR HA H 4.1840 0.0000 1 860 75 77 THR HB H 3.4980 0.0000 1 861 75 77 THR HG2 H 0.4820 0.0000 1 862 75 77 THR C C 171.8220 0.0000 1 863 75 77 THR CA C 61.3000 0.0000 1 864 75 77 THR CB C 71.1520 0.0000 1 865 75 77 THR CG2 C 24.2000 0.0000 1 866 75 77 THR N N 119.3930 0.0000 1 867 76 78 ASN H H 8.6120 0.0000 1 868 76 78 ASN HA H 5.1830 0.0000 1 869 76 78 ASN HB2 H 2.5610 0.0000 1 870 76 78 ASN HB3 H 2.6610 0.0000 1 871 76 78 ASN HD21 H 6.7020 0.0000 2 872 76 78 ASN HD22 H 7.2570 0.0000 2 873 76 78 ASN C C 174.0530 0.0000 1 874 76 78 ASN CA C 51.4370 0.0000 1 875 76 78 ASN CB C 39.8470 0.0000 1 876 76 78 ASN N N 126.1860 0.0000 1 877 76 78 ASN ND2 N 110.9720 0.0000 1 878 77 79 PHE H H 9.2990 0.0000 1 879 77 79 PHE HA H 5.0810 0.0000 1 880 77 79 PHE HB2 H 2.6180 0.0000 1 881 77 79 PHE HB3 H 2.8550 0.0000 1 882 77 79 PHE HD1 H 6.8020 0.0000 3 883 77 79 PHE HD2 H 6.8020 0.0000 3 884 77 79 PHE HE1 H 6.6960 0.0000 3 885 77 79 PHE HE2 H 6.6960 0.0000 3 886 77 79 PHE HZ H 6.7720 0.0000 1 887 77 79 PHE C C 174.0720 0.0000 1 888 77 79 PHE CA C 56.6530 0.0000 1 889 77 79 PHE CB C 41.5850 0.0000 1 890 77 79 PHE CD1 C 131.4130 0.0000 3 891 77 79 PHE CD2 C 131.4130 0.0000 3 892 77 79 PHE CE1 C 130.8330 0.0000 3 893 77 79 PHE CE2 C 130.8330 0.0000 3 894 77 79 PHE CZ C 128.5150 0.0000 1 895 77 79 PHE N N 121.7800 0.0000 1 896 78 80 HIS H H 9.0950 0.0000 1 897 78 80 HIS HA H 5.5370 0.0000 1 898 78 80 HIS HB2 H 3.1830 0.0000 1 899 78 80 HIS HB3 H 3.1200 0.0000 1 900 78 80 HIS HD2 H 7.1830 0.0000 1 901 78 80 HIS HE1 H 6.3930 0.0000 1 902 78 80 HIS C C 174.3270 0.0000 1 903 78 80 HIS CA C 52.5970 0.0000 1 904 78 80 HIS CB C 33.4720 0.0000 1 905 78 80 HIS CD2 C 116.3450 0.0000 1 906 78 80 HIS CE1 C 129.6740 0.0000 1 907 78 80 HIS N N 123.7940 0.0000 1 908 79 81 PHE H H 9.1970 0.0000 1 909 79 81 PHE HA H 4.3460 0.0000 1 910 79 81 PHE HB2 H 3.3010 0.0000 1 911 79 81 PHE HB3 H 3.0570 0.0000 1 912 79 81 PHE HD1 H 7.5180 0.0000 3 913 79 81 PHE HD2 H 7.5180 0.0000 3 914 79 81 PHE HE1 H 7.2220 0.0000 3 915 79 81 PHE HE2 H 7.2220 0.0000 3 916 79 81 PHE HZ H 6.9160 0.0000 1 917 79 81 PHE C C 172.9740 0.0000 1 918 79 81 PHE CA C 58.9710 0.0000 1 919 79 81 PHE CB C 37.5290 0.0000 1 920 79 81 PHE CD1 C 133.1510 0.0000 3 921 79 81 PHE CD2 C 133.1510 0.0000 3 922 79 81 PHE CE1 C 130.2540 0.0000 3 923 79 81 PHE CE2 C 130.2540 0.0000 3 924 79 81 PHE CZ C 127.3560 0.0000 1 925 79 81 PHE N N 132.1420 0.0000 1 926 80 82 SER H H 7.8980 0.0000 1 927 80 82 SER HA H 4.0610 0.0000 1 928 80 82 SER HB2 H 2.7950 0.0000 1 929 80 82 SER HB3 H 3.8840 0.0000 1 930 80 82 SER C C 174.6800 0.0000 1 931 80 82 SER CA C 58.9710 0.0000 1 932 80 82 SER CB C 65.3560 0.0000 1 933 80 82 SER N N 121.0350 0.0000 1 934 81 83 ASN H H 9.1880 0.0000 1 935 81 83 ASN HA H 4.7710 0.0000 1 936 81 83 ASN HB2 H 3.2620 0.0000 1 937 81 83 ASN HB3 H 2.6400 0.0000 1 938 81 83 ASN HD21 H 6.8590 0.0000 2 939 81 83 ASN HD22 H 8.3930 0.0000 2 940 81 83 ASN C C 175.2260 0.0000 1 941 81 83 ASN CA C 53.7560 0.0000 1 942 81 83 ASN CB C 38.6880 0.0000 1 943 81 83 ASN N N 125.4210 0.0000 1 944 81 83 ASN ND2 N 116.9880 0.0000 1 945 82 84 GLU H H 8.7470 0.0000 1 946 82 84 GLU HA H 4.0280 0.0000 1 947 82 84 GLU HB2 H 2.1680 0.0000 2 948 82 84 GLU HG2 H 2.4820 0.0000 2 949 82 84 GLU HG3 H 2.4130 0.0000 2 950 82 84 GLU C C 178.2200 0.0000 1 951 82 84 GLU CA C 60.1300 0.0000 1 952 82 84 GLU CB C 29.9950 0.0000 1 953 82 84 GLU CG C 36.3700 0.0000 1 954 82 84 GLU N N 127.4080 0.0000 1 955 83 85 SER H H 8.6510 0.0000 1 956 83 85 SER HA H 4.4230 0.0000 1 957 83 85 SER HB2 H 4.0030 0.0000 2 958 83 85 SER C C 176.2390 0.0000 1 959 83 85 SER CA C 60.7100 0.0000 1 960 83 85 SER CB C 63.0380 0.0000 1 961 83 85 SER N N 112.9310 0.0000 1 962 84 86 THR H H 7.3580 0.0000 1 963 84 86 THR HA H 4.6700 0.0000 1 964 84 86 THR HB H 4.5910 0.0000 1 965 84 86 THR HG2 H 1.1130 0.0000 1 966 84 86 THR C C 174.9670 0.0000 1 967 84 86 THR CA C 61.3000 0.0000 1 968 84 86 THR CB C 69.4130 0.0000 1 969 84 86 THR CG2 C 21.8710 0.0000 1 970 84 86 THR N N 109.5420 0.0000 1 971 85 87 ALA H H 7.6550 0.0000 1 972 85 87 ALA HA H 4.2300 0.0000 1 973 85 87 ALA HB H 1.5290 0.0000 1 974 85 87 ALA C C 178.8230 0.0000 1 975 85 87 ALA CA C 56.0740 0.0000 1 976 85 87 ALA CB C 20.1330 0.0000 1 977 85 87 ALA N N 126.2030 0.0000 1 978 86 88 VAL H H 8.2850 0.0000 1 979 86 88 VAL HA H 3.4150 0.0000 1 980 86 88 VAL HB H 1.9700 0.0000 1 981 86 88 VAL HG1 H 0.9140 0.0000 1 982 86 88 VAL HG2 H 1.0710 0.0000 1 983 86 88 VAL C C 177.5600 0.0000 1 984 86 88 VAL CA C 67.0950 0.0000 1 985 86 88 VAL CB C 31.1540 0.0000 1 986 86 88 VAL CG1 C 21.2920 0.0000 1 987 86 88 VAL CG2 C 23.6100 0.0000 1 988 86 88 VAL N N 116.2740 0.0000 1 989 87 89 LYS H H 7.5660 0.0000 1 990 87 89 LYS HA H 4.1000 0.0000 1 991 87 89 LYS HB2 H 1.9310 0.0000 2 992 87 89 LYS HB3 H 1.8660 0.0000 2 993 87 89 LYS HG2 H 1.5570 0.0000 2 994 87 89 LYS HG3 H 1.4880 0.0000 2 995 87 89 LYS HD2 H 1.7250 0.0000 2 996 87 89 LYS HE2 H 3.0260 0.0000 2 997 87 89 LYS HE3 H 3.0200 0.0000 2 998 87 89 LYS C C 180.4330 0.0000 1 999 87 89 LYS CA C 58.9710 0.0000 1 1000 87 89 LYS CB C 31.7330 0.0000 1 1001 87 89 LYS CG C 24.7790 0.0000 1 1002 87 89 LYS CD C 28.8360 0.0000 1 1003 87 89 LYS CE C 42.1650 0.0000 1 1004 87 89 LYS N N 120.4750 0.0000 1 1005 88 90 GLU H H 8.4810 0.0000 1 1006 88 90 GLU HA H 4.0000 0.0000 1 1007 88 90 GLU HB2 H 1.9790 0.0000 1 1008 88 90 GLU HB3 H 2.4380 0.0000 1 1009 88 90 GLU HG2 H 2.6020 0.0000 2 1010 88 90 GLU HG3 H 2.2980 0.0000 2 1011 88 90 GLU C C 177.6050 0.0000 1 1012 88 90 GLU CA C 58.9710 0.0000 1 1013 88 90 GLU CB C 29.9950 0.0000 1 1014 88 90 GLU CG C 36.9490 0.0000 1 1015 88 90 GLU N N 121.9490 0.0000 1 1016 89 91 ARG H H 8.2980 0.0000 1 1017 89 91 ARG HA H 2.7630 0.0000 1 1018 89 91 ARG HB2 H 1.6650 0.0000 1 1019 89 91 ARG HB3 H 0.6620 0.0000 1 1020 89 91 ARG HG2 H 1.4350 0.0000 2 1021 89 91 ARG HG3 H 1.2880 0.0000 2 1022 89 91 ARG HD2 H 3.2520 0.0000 2 1023 89 91 ARG HD3 H 2.9150 0.0000 2 1024 89 91 ARG C C 179.0010 0.0000 1 1025 89 91 ARG CA C 59.5510 0.0000 1 1026 89 91 ARG CB C 27.6770 0.0000 1 1027 89 91 ARG CG C 27.0970 0.0000 1 1028 89 91 ARG CD C 42.1650 0.0000 1 1029 89 91 ARG N N 121.0830 0.0000 1 1030 90 92 ASP H H 8.3690 0.0000 1 1031 90 92 ASP HA H 4.3200 0.0000 1 1032 90 92 ASP HB2 H 2.6320 0.0000 1 1033 90 92 ASP HB3 H 2.7660 0.0000 1 1034 90 92 ASP C C 177.4330 0.0000 1 1035 90 92 ASP CA C 57.2330 0.0000 1 1036 90 92 ASP CB C 39.2670 0.0000 1 1037 90 92 ASP N N 120.5060 0.0000 1 1038 91 93 ALA H H 7.8030 0.0000 1 1039 91 93 ALA HA H 4.1900 0.0000 1 1040 91 93 ALA HB H 1.5480 0.0000 1 1041 91 93 ALA C C 181.0860 0.0000 1 1042 91 93 ALA CA C 54.9150 0.0000 1 1043 91 93 ALA CB C 17.8150 0.0000 1 1044 91 93 ALA N N 123.9080 0.0000 1 1045 92 94 VAL H H 7.9460 0.0000 1 1046 92 94 VAL HA H 3.4450 0.0000 1 1047 92 94 VAL HB H 2.2860 0.0000 1 1048 92 94 VAL HG1 H 1.0430 0.0000 1 1049 92 94 VAL HG2 H 1.1880 0.0000 1 1050 92 94 VAL C C 176.6640 0.0000 1 1051 92 94 VAL CA C 66.5150 0.0000 1 1052 92 94 VAL CB C 31.7330 0.0000 1 1053 92 94 VAL CG1 C 22.4510 0.0000 1 1054 92 94 VAL CG2 C 24.2000 0.0000 1 1055 92 94 VAL N N 120.4180 0.0000 1 1056 93 95 LYS H H 8.7400 0.0000 1 1057 93 95 LYS HA H 4.7630 0.0000 1 1058 93 95 LYS HB2 H 1.9380 0.0000 1 1059 93 95 LYS HB3 H 1.7720 0.0000 1 1060 93 95 LYS HG2 H 1.4840 0.0000 2 1061 93 95 LYS HG3 H 1.4560 0.0000 2 1062 93 95 LYS HD2 H 1.6660 0.0000 2 1063 93 95 LYS HD3 H 1.4830 0.0000 2 1064 93 95 LYS HE2 H 2.9000 0.0000 2 1065 93 95 LYS HE3 H 2.9000 0.0000 2 1066 93 95 LYS C C 179.7490 0.0000 1 1067 93 95 LYS CA C 58.3920 0.0000 1 1068 93 95 LYS CB C 31.7330 0.0000 1 1069 93 95 LYS CG C 23.6100 0.0000 1 1070 93 95 LYS CD C 29.4150 0.0000 1 1071 93 95 LYS CE C 41.5850 0.0000 1 1072 93 95 LYS N N 122.1460 0.0000 1 1073 94 96 ASP H H 8.6010 0.0000 1 1074 94 96 ASP HA H 4.3910 0.0000 1 1075 94 96 ASP HB2 H 2.5840 0.0000 1 1076 94 96 ASP HB3 H 2.7820 0.0000 1 1077 94 96 ASP C C 179.3670 0.0000 1 1078 94 96 ASP CA C 57.2330 0.0000 1 1079 94 96 ASP CB C 40.4260 0.0000 1 1080 94 96 ASP N N 120.9520 0.0000 1 1081 95 97 LEU H H 7.6200 0.0000 1 1082 95 97 LEU HA H 4.2110 0.0000 1 1083 95 97 LEU HB2 H 1.8260 0.0000 2 1084 95 97 LEU HB3 H 1.4900 0.0000 2 1085 95 97 LEU HG H 1.7190 0.0000 1 1086 95 97 LEU HD1 H 0.9150 0.0000 2 1087 95 97 LEU HD2 H 0.9010 0.0000 2 1088 95 97 LEU C C 179.8950 0.0000 1 1089 95 97 LEU CA C 57.8120 0.0000 1 1090 95 97 LEU CB C 41.5850 0.0000 1 1091 95 97 LEU CG C 27.6770 0.0000 1 1092 95 97 LEU CD1 C 25.3590 0.0000 2 1093 95 97 LEU CD2 C 24.7790 0.0000 2 1094 95 97 LEU N N 122.3940 0.0000 1 1095 96 98 LEU H H 8.9120 0.0000 1 1096 96 98 LEU HA H 3.8050 0.0000 1 1097 96 98 LEU HB2 H 1.0960 0.0000 1 1098 96 98 LEU HB3 H 2.1940 0.0000 1 1099 96 98 LEU HG H 1.8280 0.0000 1 1100 96 98 LEU HD1 H 0.8520 0.0000 1 1101 96 98 LEU HD2 H 0.7840 0.0000 1 1102 96 98 LEU C C 178.6900 0.0000 1 1103 96 98 LEU CA C 58.9710 0.0000 1 1104 96 98 LEU CB C 41.0060 0.0000 1 1105 96 98 LEU CG C 27.0970 0.0000 1 1106 96 98 LEU CD1 C 27.0970 0.0000 1 1107 96 98 LEU CD2 C 24.2000 0.0000 1 1108 96 98 LEU N N 120.6300 0.0000 1 1109 97 99 GLN H H 8.3470 0.0000 1 1110 97 99 GLN HA H 4.0860 0.0000 1 1111 97 99 GLN HB2 H 2.2800 0.0000 1 1112 97 99 GLN HB3 H 2.1480 0.0000 1 1113 97 99 GLN HG2 H 2.5390 0.0000 2 1114 97 99 GLN HG3 H 2.3830 0.0000 2 1115 97 99 GLN HE21 H 6.8880 0.0000 2 1116 97 99 GLN HE22 H 7.5170 0.0000 2 1117 97 99 GLN C C 177.7850 0.0000 1 1118 97 99 GLN CA C 58.3920 0.0000 1 1119 97 99 GLN CB C 28.8360 0.0000 1 1120 97 99 GLN CG C 34.0520 0.0000 1 1121 97 99 GLN N N 118.0380 0.0000 1 1122 97 99 GLN NE2 N 112.5160 0.0000 1 1123 98 100 GLN H H 7.2560 0.0000 1 1124 98 100 GLN HA H 4.2800 0.0000 1 1125 98 100 GLN HB2 H 2.2120 0.0000 1 1126 98 100 GLN HB3 H 2.2550 0.0000 1 1127 98 100 GLN HG2 H 2.5750 0.0000 2 1128 98 100 GLN HG3 H 2.3970 0.0000 2 1129 98 100 GLN HE21 H 6.7800 0.0000 2 1130 98 100 GLN HE22 H 7.3160 0.0000 2 1131 98 100 GLN C C 178.1620 0.0000 1 1132 98 100 GLN CA C 57.2330 0.0000 1 1133 98 100 GLN CB C 29.4150 0.0000 1 1134 98 100 GLN CG C 34.0520 0.0000 1 1135 98 100 GLN N N 115.5050 0.0000 1 1136 98 100 GLN NE2 N 112.8010 0.0000 1 1137 99 101 LEU H H 8.1920 0.0000 1 1138 99 101 LEU HA H 4.1620 0.0000 1 1139 99 101 LEU HB2 H 0.7800 0.0000 1 1140 99 101 LEU HB3 H 1.1340 0.0000 1 1141 99 101 LEU HG H 1.6640 0.0000 1 1142 99 101 LEU HD1 H 0.6250 0.0000 1 1143 99 101 LEU HD2 H 0.9210 0.0000 1 1144 99 101 LEU C C 178.2180 0.0000 1 1145 99 101 LEU CA C 57.2330 0.0000 1 1146 99 101 LEU CB C 42.7450 0.0000 1 1147 99 101 LEU CG C 26.5180 0.0000 1 1148 99 101 LEU CD1 C 25.9380 0.0000 1 1149 99 101 LEU CD2 C 22.4510 0.0000 1 1150 99 101 LEU N N 121.6540 0.0000 1 1151 100 102 LEU H H 8.7470 0.0000 1 1152 100 102 LEU HA H 4.0830 0.0000 1 1153 100 102 LEU HB2 H 1.5240 0.0000 1 1154 100 102 LEU HB3 H 2.0660 0.0000 1 1155 100 102 LEU HG H 1.9740 0.0000 1 1156 100 102 LEU HD1 H 0.7790 0.0000 1 1157 100 102 LEU HD2 H 0.9140 0.0000 1 1158 100 102 LEU CA C 60.7100 0.0000 1 1159 100 102 LEU CB C 38.1080 0.0000 1 1160 100 102 LEU CG C 27.0970 0.0000 1 1161 100 102 LEU CD1 C 24.7790 0.0000 1 1162 100 102 LEU CD2 C 23.6100 0.0000 1 1163 100 102 LEU N N 118.3710 0.0000 1 1164 101 103 PRO HA H 4.3320 0.0000 1 1165 101 103 PRO HB2 H 1.8100 0.0000 2 1166 101 103 PRO HB3 H 2.3900 0.0000 2 1167 101 103 PRO HG2 H 2.1260 0.0000 2 1168 101 103 PRO HG3 H 2.0100 0.0000 2 1169 101 103 PRO HD2 H 3.6500 0.0000 2 1170 101 103 PRO HD3 H 3.3970 0.0000 2 1171 101 103 PRO C C 178.6170 0.0000 1 1172 101 103 PRO CA C 65.3560 0.0000 1 1173 101 103 PRO CB C 31.1540 0.0000 1 1174 101 103 PRO CG C 28.2560 0.0000 1 1175 101 103 PRO CD C 51.4370 0.0000 1 1176 102 104 LYS H H 7.1520 0.0000 1 1177 102 104 LYS HA H 3.9720 0.0000 1 1178 102 104 LYS HB2 H 1.8440 0.0000 2 1179 102 104 LYS HB3 H 1.6540 0.0000 2 1180 102 104 LYS HG2 H 1.3950 0.0000 2 1181 102 104 LYS HG3 H 0.9460 0.0000 2 1182 102 104 LYS HD2 H 1.6290 0.0000 2 1183 102 104 LYS HD3 H 1.5870 0.0000 2 1184 102 104 LYS HE2 H 2.9030 0.0000 2 1185 102 104 LYS C C 177.2560 0.0000 1 1186 102 104 LYS CA C 58.3920 0.0000 1 1187 102 104 LYS CB C 32.3130 0.0000 1 1188 102 104 LYS CG C 24.7790 0.0000 1 1189 102 104 LYS CD C 29.4150 0.0000 1 1190 102 104 LYS CE C 41.5850 0.0000 1 1191 102 104 LYS N N 116.6880 0.0000 1 1192 103 105 PHE H H 7.4250 0.0000 1 1193 103 105 PHE HA H 4.6270 0.0000 1 1194 103 105 PHE HB2 H 3.4740 0.0000 1 1195 103 105 PHE HB3 H 2.4860 0.0000 1 1196 103 105 PHE HD1 H 7.5940 0.0000 3 1197 103 105 PHE HD2 H 7.5940 0.0000 3 1198 103 105 PHE HE1 H 7.5650 0.0000 3 1199 103 105 PHE HE2 H 7.5650 0.0000 3 1200 103 105 PHE HZ H 7.5560 0.0000 1 1201 103 105 PHE C C 174.4690 0.0000 1 1202 103 105 PHE CA C 57.8120 0.0000 1 1203 103 105 PHE CB C 40.4260 0.0000 1 1204 103 105 PHE CD1 C 133.1510 0.0000 3 1205 103 105 PHE CD2 C 133.1510 0.0000 3 1206 103 105 PHE CE1 C 131.4130 0.0000 3 1207 103 105 PHE CE2 C 131.4130 0.0000 3 1208 103 105 PHE CZ C 128.5150 0.0000 1 1209 103 105 PHE N N 116.1830 0.0000 1 1210 104 106 LYS H H 7.0880 0.0000 1 1211 104 106 LYS HA H 4.4250 0.0000 1 1212 104 106 LYS HB2 H 1.9020 0.0000 2 1213 104 106 LYS HB3 H 1.8800 0.0000 2 1214 104 106 LYS HG2 H 1.5740 0.0000 2 1215 104 106 LYS HG3 H 1.5740 0.0000 2 1216 104 106 LYS HD2 H 1.7990 0.0000 2 1217 104 106 LYS HE2 H 3.0780 0.0000 2 1218 104 106 LYS HE3 H 3.0780 0.0000 2 1219 104 106 LYS C C 176.7470 0.0000 1 1220 104 106 LYS CA C 56.6530 0.0000 1 1221 104 106 LYS CB C 33.4720 0.0000 1 1222 104 106 LYS CG C 24.2000 0.0000 1 1223 104 106 LYS CD C 29.4150 0.0000 1 1224 104 106 LYS CE C 41.5850 0.0000 1 1225 104 106 LYS N N 121.7790 0.0000 1 1226 105 107 ARG H H 8.6420 0.0000 1 1227 105 107 ARG HA H 4.3470 0.0000 1 1228 105 107 ARG HB2 H 1.8210 0.0000 2 1229 105 107 ARG HB3 H 1.7680 0.0000 2 1230 105 107 ARG HG2 H 1.7520 0.0000 2 1231 105 107 ARG HG3 H 1.6800 0.0000 2 1232 105 107 ARG HD2 H 3.1360 0.0000 2 1233 105 107 ARG HD3 H 3.0340 0.0000 2 1234 105 107 ARG C C 176.3250 0.0000 1 1235 105 107 ARG CA C 56.0740 0.0000 1 1236 105 107 ARG CB C 30.5740 0.0000 1 1237 105 107 ARG CG C 27.0970 0.0000 1 1238 105 107 ARG CD C 43.3240 0.0000 1 1239 105 107 ARG N N 125.6010 0.0000 1 1240 106 108 LYS H H 8.4460 0.0000 1 1241 106 108 LYS HA H 4.3390 0.0000 1 1242 106 108 LYS HB2 H 1.8730 0.0000 2 1243 106 108 LYS HB3 H 1.7770 0.0000 2 1244 106 108 LYS HG2 H 1.4750 0.0000 2 1245 106 108 LYS HG3 H 1.4640 0.0000 2 1246 106 108 LYS HD2 H 1.7000 0.0000 2 1247 106 108 LYS HE2 H 2.9070 0.0000 2 1248 106 108 LYS C C 176.0420 0.0000 1 1249 106 108 LYS CA C 56.0740 0.0000 1 1250 106 108 LYS CB C 32.8930 0.0000 1 1251 106 108 LYS CG C 24.2000 0.0000 1 1252 106 108 LYS CD C 28.8360 0.0000 1 1253 106 108 LYS CE C 41.5850 0.0000 1 1254 106 108 LYS N N 124.6070 0.0000 1 1255 107 109 ALA H H 8.3840 0.0000 1 1256 107 109 ALA HA H 4.3420 0.0000 1 1257 107 109 ALA HB H 1.3860 0.0000 1 1258 107 109 ALA C C 176.4260 0.0000 1 1259 107 109 ALA CA C 52.5970 0.0000 1 1260 107 109 ALA CB C 19.5530 0.0000 1 1261 107 109 ALA N N 127.0420 0.0000 1 1262 108 110 ASN H H 7.9440 0.0000 1 1263 108 110 ASN HA H 4.4330 0.0000 1 1264 108 110 ASN HB2 H 2.7460 0.0000 2 1265 108 110 ASN HB3 H 2.6690 0.0000 2 1266 108 110 ASN HD21 H 6.7760 0.0000 2 1267 108 110 ASN HD22 H 7.4850 0.0000 2 1268 108 110 ASN CA C 54.3350 0.0000 1 1269 108 110 ASN CB C 40.4260 0.0000 1 1270 108 110 ASN N N 124.1380 0.0000 1 1271 108 110 ASN ND2 N 113.5060 0.0000 1 stop_ save_