data_11594 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the complex between XPC acidic domain and TFIIH p62 PH domain ; _BMRB_accession_number 11594 _BMRB_flat_file_name bmr11594.str _Entry_type original _Submission_date 2015-07-01 _Accession_date 2015-07-14 _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" 876 "13C chemical shifts" 680 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-15 original BMRB . stop_ _Original_release_date 2016-02-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural Insight into the Mechanism of TFIIH Recognition by the Acidic String of the Nucleotide Excision Repair Factor XPC ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26278177 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Okuda Masahiko . . 2 Kinoshita Minoru . . 3 Kakumu Erina . . 4 Sugasawa Kaoru . . 5 Nishimura Yoshifumi . . stop_ _Journal_abbreviation Structure _Journal_volume 23 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1827 _Page_last 1837 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'The Acidic String of the Nucleotide Excision Repair Factor XPC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'XPC acidic domain' $XPC_acidic_domain 'TFIIH p62 PH domain' $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_XPC_acidic_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common XPC_acidic_domain _Molecular_mass 5511.741 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 52 _Mol_residue_sequence ; GSHMAHHLKRGATMNEDSNE EEEESENDWEEVEELSEPVL GDVRESTAFSRS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 HIS 4 4 MET 5 5 ALA 6 6 HIS 7 7 HIS 8 8 LEU 9 9 LYS 10 10 ARG 11 11 GLY 12 12 ALA 13 13 THR 14 14 MET 15 15 ASN 16 16 GLU 17 17 ASP 18 18 SER 19 19 ASN 20 20 GLU 21 21 GLU 22 22 GLU 23 23 GLU 24 24 GLU 25 25 SER 26 26 GLU 27 27 ASN 28 28 ASP 29 29 TRP 30 30 GLU 31 31 GLU 32 32 VAL 33 33 GLU 34 34 GLU 35 35 LEU 36 36 SER 37 37 GLU 38 38 PRO 39 39 VAL 40 40 LEU 41 41 GLY 42 42 ASP 43 43 VAL 44 44 ARG 45 45 GLU 46 46 SER 47 47 THR 48 48 ALA 49 49 PHE 50 50 SER 51 51 ARG 52 52 SER 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 1 GLY 2 2 SER 3 3 MET 4 4 ALA 5 5 THR 6 6 SER 7 7 SER 8 8 GLU 9 9 GLU 10 10 VAL 11 11 LEU 12 12 LEU 13 13 ILE 14 14 VAL 15 15 LYS 16 16 LYS 17 17 VAL 18 18 ARG 19 19 GLN 20 20 LYS 21 21 LYS 22 22 GLN 23 23 ASP 24 24 GLY 25 25 ALA 26 26 LEU 27 27 TYR 28 28 LEU 29 29 MET 30 30 ALA 31 31 GLU 32 32 ARG 33 33 ILE 34 34 ALA 35 35 TRP 36 36 ALA 37 37 PRO 38 38 GLU 39 39 GLY 40 40 LYS 41 41 ASP 42 42 ARG 43 43 PHE 44 44 THR 45 45 ILE 46 46 SER 47 47 HIS 48 48 MET 49 49 TYR 50 50 ALA 51 51 ASP 52 52 ILE 53 53 LYS 54 54 CYS 55 55 GLN 56 56 LYS 57 57 ILE 58 58 SER 59 59 PRO 60 60 GLU 61 61 GLY 62 62 LYS 63 63 ALA 64 64 LYS 65 65 ILE 66 66 GLN 67 67 LEU 68 68 GLN 69 69 LEU 70 70 VAL 71 71 LEU 72 72 HIS 73 73 ALA 74 74 GLY 75 75 ASP 76 76 THR 77 77 THR 78 78 ASN 79 79 PHE 80 80 HIS 81 81 PHE 82 82 SER 83 83 ASN 84 84 GLU 85 85 SER 86 86 THR 87 87 ALA 88 88 VAL 89 89 LYS 90 90 GLU 91 91 ARG 92 92 ASP 93 93 ALA 94 94 VAL 95 95 LYS 96 96 ASP 97 97 LEU 98 98 LEU 99 99 GLN 100 100 GLN 101 101 LEU 102 102 LEU 103 103 PRO 104 104 LYS 105 105 PHE 106 106 LYS 107 107 ARG 108 108 LYS 109 109 ALA 110 110 ASN 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 $XPC_acidic_domain 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 $XPC_acidic_domain 'recombinant technology' . Escherichia coli . pET15b $TFIIH_p62_PH_domain 'recombinant technology' . Escherichia coli . pGEX-4T 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 $XPC_acidic_domain 0.4 mM '[U-99% 13C; U-99% 15N]' $TFIIH_p62_PH_domain 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 $XPC_acidic_domain 0.4 mM '[U-99% 13C; U-99% 15N]' $TFIIH_p62_PH_domain 0.48 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' DTT 5 mM [U-2H] D2O 10 % [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $XPC_acidic_domain 0.4 mM '[U-99% 13C; U-99% 15N]' $TFIIH_p62_PH_domain 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_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $XPC_acidic_domain 0.4 mM '[U-99% 13C; U-99% 15N]' $TFIIH_p62_PH_domain 0.48 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' DTT 5 mM [U-2H] D2O 10 % [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 700 _Details . save_ save_spectrometer_3 _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_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_CBCA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_4 save_ save_3D_HNHB_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 6.8 . pH pressure 1 . atm temperature 305 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 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-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 'XPC acidic domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 109 5 ALA HA H 4.2700 0.0000 1 2 109 5 ALA HB H 1.3430 0.0000 1 3 109 5 ALA C C 177.5760 0.0000 1 4 109 5 ALA CA C 52.5950 0.0000 1 5 109 5 ALA CB C 18.9850 0.0000 1 6 109 5 ALA N N 126.1720 0.0000 1 7 110 6 HIS H H 8.2350 0.0000 1 8 110 6 HIS HA H 4.5480 0.0000 1 9 110 6 HIS HB2 H 3.0950 0.0000 2 10 110 6 HIS HD2 H 7.0210 0.0000 1 11 110 6 HIS CA C 56.6520 0.0000 1 12 110 6 HIS CB C 30.5750 0.0000 1 13 110 6 HIS CD2 C 119.2370 0.0000 1 14 110 6 HIS N N 119.4100 0.0000 1 15 111 7 HIS HA H 4.5870 0.0000 1 16 111 7 HIS HB2 H 3.1040 0.0000 2 17 111 7 HIS HD2 H 6.9810 0.0000 1 18 111 7 HIS C C 175.1880 0.0000 1 19 111 7 HIS CA C 56.6520 0.0000 1 20 111 7 HIS CB C 30.5750 0.0000 1 21 111 7 HIS CD2 C 119.2370 0.0000 1 22 112 8 LEU H H 8.0650 0.0000 1 23 112 8 LEU HA H 4.3190 0.0000 1 24 112 8 LEU HB2 H 1.6240 0.0000 2 25 112 8 LEU HB3 H 1.5530 0.0000 2 26 112 8 LEU HG H 1.4240 0.0000 1 27 112 8 LEU HD1 H 0.9090 0.0000 2 28 112 8 LEU HD2 H 0.8510 0.0000 2 29 112 8 LEU C C 177.0940 0.0000 1 30 112 8 LEU CA C 54.9140 0.0000 1 31 112 8 LEU CB C 42.1650 0.0000 1 32 112 8 LEU CG C 26.5190 0.0000 1 33 112 8 LEU CD1 C 24.7800 0.0000 2 34 112 8 LEU CD2 C 23.0420 0.0000 2 35 112 8 LEU N N 123.9700 0.0000 1 36 113 9 LYS H H 8.2330 0.0000 1 37 113 9 LYS HA H 4.3230 0.0000 1 38 113 9 LYS HB2 H 1.8550 0.0000 2 39 113 9 LYS HB3 H 1.7780 0.0000 2 40 113 9 LYS HG2 H 1.4670 0.0000 2 41 113 9 LYS HG3 H 1.4120 0.0000 2 42 113 9 LYS HD2 H 1.6990 0.0000 2 43 113 9 LYS HE2 H 3.0010 0.0000 2 44 113 9 LYS C C 176.4210 0.0000 1 45 113 9 LYS CA C 56.6520 0.0000 1 46 113 9 LYS CB C 32.8930 0.0000 1 47 113 9 LYS CG C 24.7800 0.0000 1 48 113 9 LYS CD C 28.8370 0.0000 1 49 113 9 LYS CE C 42.1650 0.0000 1 50 113 9 LYS N N 123.2640 0.0000 1 51 114 10 ARG H H 8.3510 0.0000 1 52 114 10 ARG HA H 4.3530 0.0000 1 53 114 10 ARG HB2 H 1.8830 0.0000 2 54 114 10 ARG HB3 H 1.8060 0.0000 2 55 114 10 ARG HG2 H 1.6700 0.0000 2 56 114 10 ARG HG3 H 1.6440 0.0000 2 57 114 10 ARG HD2 H 3.2130 0.0000 2 58 114 10 ARG C C 176.7430 0.0000 1 59 114 10 ARG CA C 56.0730 0.0000 1 60 114 10 ARG CB C 30.5750 0.0000 1 61 114 10 ARG CG C 27.0980 0.0000 1 62 114 10 ARG CD C 43.3240 0.0000 1 63 114 10 ARG N N 123.6700 0.0000 1 64 115 11 GLY H H 8.4590 0.0000 1 65 115 11 GLY HA2 H 3.9880 0.0000 2 66 115 11 GLY C C 173.8160 0.0000 1 67 115 11 GLY CA C 45.0620 0.0000 1 68 115 11 GLY N N 111.6640 0.0000 1 69 116 12 ALA H H 8.2220 0.0000 1 70 116 12 ALA HA H 4.4110 0.0000 1 71 116 12 ALA HB H 1.4420 0.0000 1 72 116 12 ALA C C 177.9790 0.0000 1 73 116 12 ALA CA C 52.5960 0.0000 1 74 116 12 ALA CB C 19.5640 0.0000 1 75 116 12 ALA N N 124.8350 0.0000 1 76 117 13 THR H H 8.1480 0.0000 1 77 117 13 THR HA H 4.3940 0.0000 1 78 117 13 THR HB H 4.2780 0.0000 1 79 117 13 THR HG2 H 1.2240 0.0000 1 80 117 13 THR C C 174.5200 0.0000 1 81 117 13 THR CA C 61.2890 0.0000 1 82 117 13 THR CB C 69.4020 0.0000 1 83 117 13 THR CG2 C 21.8830 0.0000 1 84 117 13 THR N N 113.7430 0.0000 1 85 118 14 MET H H 8.3620 0.0000 1 86 118 14 MET HA H 4.5140 0.0000 1 87 118 14 MET HB2 H 2.1340 0.0000 2 88 118 14 MET HB3 H 2.0390 0.0000 2 89 118 14 MET HG2 H 2.6110 0.0000 2 90 118 14 MET HG3 H 2.5460 0.0000 2 91 118 14 MET C C 175.7230 0.0000 1 92 118 14 MET CA C 55.4930 0.0000 1 93 118 14 MET CB C 32.8930 0.0000 1 94 118 14 MET CG C 32.3140 0.0000 1 95 118 14 MET N N 123.0970 0.0000 1 96 119 15 ASN H H 8.4460 0.0000 1 97 119 15 ASN HA H 4.7270 0.0000 1 98 119 15 ASN HB2 H 2.8880 0.0000 2 99 119 15 ASN HB3 H 2.7900 0.0000 2 100 119 15 ASN HD21 H 6.9170 0.0000 2 101 119 15 ASN HD22 H 7.6230 0.0000 2 102 119 15 ASN C C 175.1240 0.0000 1 103 119 15 ASN CA C 53.1750 0.0000 1 104 119 15 ASN CB C 38.6880 0.0000 1 105 119 15 ASN N N 120.6470 0.0000 1 106 119 15 ASN ND2 N 114.1760 0.0000 1 107 120 16 GLU H H 8.4630 0.0000 1 108 120 16 GLU HA H 4.2950 0.0000 1 109 120 16 GLU HB2 H 2.0930 0.0000 2 110 120 16 GLU HB3 H 1.9570 0.0000 2 111 120 16 GLU HG2 H 2.2780 0.0000 2 112 120 16 GLU C C 176.1370 0.0000 1 113 120 16 GLU CA C 56.9380 0.0000 1 114 120 16 GLU CB C 30.3340 0.0000 1 115 120 16 GLU CG C 36.3280 0.0000 1 116 120 16 GLU N N 122.2710 0.0000 1 117 121 17 ASP H H 8.3510 0.0000 1 118 121 17 ASP HA H 4.6610 0.0000 1 119 121 17 ASP HB2 H 2.7490 0.0000 2 120 121 17 ASP HB3 H 2.6580 0.0000 2 121 121 17 ASP C C 176.2300 0.0000 1 122 121 17 ASP CA C 54.3340 0.0000 1 123 121 17 ASP CB C 41.0060 0.0000 1 124 121 17 ASP N N 122.0140 0.0000 1 125 122 18 SER H H 8.1920 0.0000 1 126 122 18 SER HA H 4.4890 0.0000 1 127 122 18 SER HB2 H 3.9150 0.0000 2 128 122 18 SER C C 174.3580 0.0000 1 129 122 18 SER CA C 58.3910 0.0000 1 130 122 18 SER CB C 63.6070 0.0000 1 131 122 18 SER N N 117.0210 0.0000 1 132 123 19 ASN H H 8.5020 0.0000 1 133 123 19 ASN HA H 4.7670 0.0000 1 134 123 19 ASN HB2 H 2.8750 0.0000 2 135 123 19 ASN HB3 H 2.7870 0.0000 2 136 123 19 ASN HD21 H 6.9170 0.0000 2 137 123 19 ASN HD22 H 7.6230 0.0000 2 138 123 19 ASN C C 175.1880 0.0000 1 139 123 19 ASN CA C 53.1750 0.0000 1 140 123 19 ASN CB C 38.6880 0.0000 1 141 123 19 ASN N N 122.1390 0.0000 1 142 123 19 ASN ND2 N 114.1760 0.0000 1 143 124 20 GLU H H 8.3750 0.0000 1 144 124 20 GLU HA H 4.2960 0.0000 1 145 124 20 GLU HB2 H 2.0380 0.0000 2 146 124 20 GLU HB3 H 1.8750 0.0000 2 147 124 20 GLU HG2 H 2.2780 0.0000 2 148 124 20 GLU C C 176.4200 0.0000 1 149 124 20 GLU CA C 56.8120 0.0000 1 150 124 20 GLU CB C 30.5540 0.0000 1 151 124 20 GLU CG C 36.3280 0.0000 1 152 124 20 GLU N N 122.3230 0.0000 1 153 125 21 GLU H H 8.3810 0.0000 1 154 125 21 GLU HA H 4.2640 0.0000 1 155 125 21 GLU HB2 H 2.0410 0.0000 2 156 125 21 GLU HB3 H 1.9520 0.0000 2 157 125 21 GLU HG2 H 2.2780 0.0000 2 158 125 21 GLU C C 176.4960 0.0000 1 159 125 21 GLU CA C 56.6010 0.0000 1 160 125 21 GLU CB C 30.4910 0.0000 1 161 125 21 GLU CG C 36.3280 0.0000 1 162 125 21 GLU N N 122.5790 0.0000 1 163 126 22 GLU H H 8.3580 0.0000 1 164 126 22 GLU HA H 4.2520 0.0000 1 165 126 22 GLU HB2 H 2.0410 0.0000 2 166 126 22 GLU HB3 H 1.9220 0.0000 2 167 126 22 GLU HG2 H 2.2350 0.0000 2 168 126 22 GLU C C 176.4750 0.0000 1 169 126 22 GLU CA C 56.5800 0.0000 1 170 126 22 GLU CB C 30.5690 0.0000 1 171 126 22 GLU CG C 36.3280 0.0000 1 172 126 22 GLU N N 123.0980 0.0000 1 173 127 23 GLU H H 8.4360 0.0000 1 174 127 23 GLU HA H 4.2440 0.0000 1 175 127 23 GLU HB2 H 1.9610 0.0000 2 176 127 23 GLU HG2 H 2.2350 0.0000 2 177 127 23 GLU C C 176.4970 0.0000 1 178 127 23 GLU CA C 56.6620 0.0000 1 179 127 23 GLU CB C 30.5470 0.0000 1 180 127 23 GLU CG C 36.3280 0.0000 1 181 127 23 GLU N N 123.3840 0.0000 1 182 128 24 GLU H H 8.4750 0.0000 1 183 128 24 GLU HA H 4.2960 0.0000 1 184 128 24 GLU HB2 H 2.0420 0.0000 2 185 128 24 GLU HB3 H 1.9400 0.0000 2 186 128 24 GLU HG2 H 2.2760 0.0000 2 187 128 24 GLU C C 176.4640 0.0000 1 188 128 24 GLU CA C 56.6550 0.0000 1 189 128 24 GLU CB C 30.5750 0.0000 1 190 128 24 GLU CG C 36.3280 0.0000 1 191 128 24 GLU N N 123.4570 0.0000 1 192 129 25 SER H H 8.4120 0.0000 1 193 129 25 SER HA H 4.4640 0.0000 1 194 129 25 SER HB2 H 3.8480 0.0000 2 195 129 25 SER C C 174.6960 0.0000 1 196 129 25 SER CA C 58.3910 0.0000 1 197 129 25 SER CB C 64.1860 0.0000 1 198 129 25 SER N N 118.6130 0.0000 1 199 130 26 GLU H H 8.4810 0.0000 1 200 130 26 GLU HA H 4.2510 0.0000 1 201 130 26 GLU HB2 H 1.9420 0.0000 2 202 130 26 GLU HB3 H 1.8660 0.0000 2 203 130 26 GLU HG2 H 1.9820 0.0000 2 204 130 26 GLU C C 176.1790 0.0000 1 205 130 26 GLU CA C 56.6520 0.0000 1 206 130 26 GLU CB C 29.9960 0.0000 1 207 130 26 GLU CG C 35.7910 0.0000 1 208 130 26 GLU N N 124.1210 0.0000 1 209 131 27 ASN H H 8.3080 0.0000 1 210 131 27 ASN HA H 4.8840 0.0000 1 211 131 27 ASN HB2 H 2.7590 0.0000 2 212 131 27 ASN HB3 H 2.6070 0.0000 2 213 131 27 ASN HD21 H 6.7970 0.0000 2 214 131 27 ASN HD22 H 7.4540 0.0000 2 215 131 27 ASN C C 174.6350 0.0000 1 216 131 27 ASN CA C 53.1750 0.0000 1 217 131 27 ASN CB C 39.2680 0.0000 1 218 131 27 ASN N N 120.2610 0.0000 1 219 131 27 ASN ND2 N 113.8650 0.0000 1 220 132 28 ASP H H 7.9560 0.0000 1 221 132 28 ASP HA H 4.6320 0.0000 1 222 132 28 ASP HB2 H 2.4230 0.0000 2 223 132 28 ASP C C 174.0840 0.0000 1 224 132 28 ASP CA C 53.7550 0.0000 1 225 132 28 ASP CB C 41.0060 0.0000 1 226 132 28 ASP N N 121.4560 0.0000 1 227 133 29 TRP H H 7.4700 0.0000 1 228 133 29 TRP HA H 4.5870 0.0000 1 229 133 29 TRP HB2 H 3.0040 0.0000 1 230 133 29 TRP HB3 H 2.7810 0.0000 1 231 133 29 TRP HD1 H 7.2000 0.0000 1 232 133 29 TRP HE1 H 9.8280 0.0000 1 233 133 29 TRP HE3 H 6.9720 0.0000 1 234 133 29 TRP HZ2 H 7.2790 0.0000 1 235 133 29 TRP HZ3 H 6.5420 0.0000 1 236 133 29 TRP HH2 H 6.7300 0.0000 1 237 133 29 TRP C C 175.5690 0.0000 1 238 133 29 TRP CA C 56.0730 0.0000 1 239 133 29 TRP CB C 33.4730 0.0000 1 240 133 29 TRP CD1 C 127.9300 0.0000 1 241 133 29 TRP CE3 C 119.8170 0.0000 1 242 133 29 TRP CZ2 C 114.6020 0.0000 1 243 133 29 TRP CZ3 C 120.9760 0.0000 1 244 133 29 TRP CH2 C 123.2940 0.0000 1 245 133 29 TRP N N 119.4590 0.0000 1 246 133 29 TRP NE1 N 130.4000 0.0000 1 247 134 30 GLU H H 9.3510 0.0000 1 248 134 30 GLU HA H 4.7270 0.0000 1 249 134 30 GLU HB2 H 1.9860 0.0000 2 250 134 30 GLU HB3 H 2.0560 0.0000 2 251 134 30 GLU HG2 H 2.2920 0.0000 2 252 134 30 GLU HG3 H 2.2360 0.0000 2 253 134 30 GLU C C 175.8500 0.0000 1 254 134 30 GLU CA C 54.9140 0.0000 1 255 134 30 GLU CB C 31.7340 0.0000 1 256 134 30 GLU CG C 36.3700 0.0000 1 257 134 30 GLU N N 124.1980 0.0000 1 258 135 31 GLU H H 8.8750 0.0000 1 259 135 31 GLU HA H 4.3370 0.0000 1 260 135 31 GLU HB2 H 1.9850 0.0000 1 261 135 31 GLU HB3 H 2.0750 0.0000 1 262 135 31 GLU HG2 H 2.3370 0.0000 2 263 135 31 GLU HG3 H 2.2810 0.0000 2 264 135 31 GLU C C 176.0420 0.0000 1 265 135 31 GLU CA C 57.2320 0.0000 1 266 135 31 GLU CB C 29.9960 0.0000 1 267 135 31 GLU CG C 36.9500 0.0000 1 268 135 31 GLU N N 126.2510 0.0000 1 269 136 32 VAL H H 8.3240 0.0000 1 270 136 32 VAL HA H 4.0960 0.0000 1 271 136 32 VAL HB H 1.9730 0.0000 1 272 136 32 VAL HG1 H 1.0500 0.0000 1 273 136 32 VAL HG2 H 0.9220 0.0000 1 274 136 32 VAL C C 175.7360 0.0000 1 275 136 32 VAL CA C 61.8680 0.0000 1 276 136 32 VAL CB C 32.3140 0.0000 1 277 136 32 VAL CG1 C 21.3030 0.0000 1 278 136 32 VAL CG2 C 21.8830 0.0000 1 279 136 32 VAL N N 126.5270 0.0000 1 280 137 33 GLU H H 8.8120 0.0000 1 281 137 33 GLU HA H 4.2620 0.0000 1 282 137 33 GLU HB2 H 2.0210 0.0000 2 283 137 33 GLU HG2 H 2.3270 0.0000 2 284 137 33 GLU HG3 H 2.2630 0.0000 2 285 137 33 GLU C C 176.4010 0.0000 1 286 137 33 GLU CA C 57.2320 0.0000 1 287 137 33 GLU CB C 30.5750 0.0000 1 288 137 33 GLU CG C 36.3700 0.0000 1 289 137 33 GLU N N 129.4910 0.0000 1 290 138 34 GLU H H 8.6470 0.0000 1 291 138 34 GLU HA H 4.4690 0.0000 1 292 138 34 GLU HB2 H 2.0720 0.0000 2 293 138 34 GLU HB3 H 2.0210 0.0000 2 294 138 34 GLU HG2 H 2.4400 0.0000 2 295 138 34 GLU HG3 H 2.3100 0.0000 2 296 138 34 GLU C C 176.5040 0.0000 1 297 138 34 GLU CA C 56.0730 0.0000 1 298 138 34 GLU CB C 30.5750 0.0000 1 299 138 34 GLU CG C 36.3700 0.0000 1 300 138 34 GLU N N 124.9800 0.0000 1 301 139 35 LEU H H 8.5360 0.0000 1 302 139 35 LEU HA H 4.4080 0.0000 1 303 139 35 LEU HB2 H 1.6120 0.0000 2 304 139 35 LEU HG H 1.6040 0.0000 1 305 139 35 LEU HD1 H 0.8970 0.0000 2 306 139 35 LEU HD2 H 0.8640 0.0000 2 307 139 35 LEU C C 177.0000 0.0000 1 308 139 35 LEU CA C 54.9140 0.0000 1 309 139 35 LEU CB C 42.1650 0.0000 1 310 139 35 LEU CG C 27.0980 0.0000 1 311 139 35 LEU CD1 C 25.3600 0.0000 2 312 139 35 LEU CD2 C 23.0420 0.0000 2 313 139 35 LEU N N 125.8690 0.0000 1 314 140 36 SER H H 8.3830 0.0000 1 315 140 36 SER HA H 4.4800 0.0000 1 316 140 36 SER HB2 H 3.8560 0.0000 2 317 140 36 SER C C 174.0590 0.0000 1 318 140 36 SER CA C 58.3910 0.0000 1 319 140 36 SER CB C 64.1860 0.0000 1 320 140 36 SER N N 118.7900 0.0000 1 321 141 37 GLU H H 8.3240 0.0000 1 322 141 37 GLU HA H 4.6110 0.0000 1 323 141 37 GLU HB2 H 2.0610 0.0000 2 324 141 37 GLU HB3 H 1.9200 0.0000 2 325 141 37 GLU HG2 H 2.2960 0.0000 2 326 141 37 GLU CA C 54.3340 0.0000 1 327 141 37 GLU CB C 29.9960 0.0000 1 328 141 37 GLU CG C 35.7910 0.0000 1 329 141 37 GLU N N 124.6320 0.0000 1 330 142 38 PRO HA H 4.4550 0.0000 1 331 142 38 PRO HB2 H 1.8750 0.0000 2 332 142 38 PRO HB3 H 2.2800 0.0000 2 333 142 38 PRO HG2 H 2.0480 0.0000 2 334 142 38 PRO HG3 H 2.0080 0.0000 2 335 142 38 PRO HD2 H 3.8070 0.0000 2 336 142 38 PRO HD3 H 3.7130 0.0000 2 337 142 38 PRO C C 176.6300 0.0000 1 338 142 38 PRO CA C 63.0270 0.0000 1 339 142 38 PRO CB C 32.3140 0.0000 1 340 142 38 PRO CG C 27.0980 0.0000 1 341 142 38 PRO CD C 50.8570 0.0000 1 342 143 39 VAL H H 8.2690 0.0000 1 343 143 39 VAL HA H 4.0940 0.0000 1 344 143 39 VAL HB H 2.0780 0.0000 1 345 143 39 VAL HG1 H 0.9510 0.0000 2 346 143 39 VAL HG2 H 0.9790 0.0000 2 347 143 39 VAL C C 176.2550 0.0000 1 348 143 39 VAL CA C 61.8680 0.0000 1 349 143 39 VAL CB C 32.3140 0.0000 1 350 143 39 VAL CG1 C 21.3030 0.0000 2 351 143 39 VAL CG2 C 20.7230 0.0000 2 352 143 39 VAL N N 122.1040 0.0000 1 353 144 40 LEU H H 8.3530 0.0000 1 354 144 40 LEU HA H 4.4020 0.0000 1 355 144 40 LEU HB2 H 1.6890 0.0000 2 356 144 40 LEU HG H 1.6430 0.0000 1 357 144 40 LEU HD1 H 0.9410 0.0000 2 358 144 40 LEU HD2 H 0.8860 0.0000 2 359 144 40 LEU C C 177.6580 0.0000 1 360 144 40 LEU CA C 54.9140 0.0000 1 361 144 40 LEU CB C 42.1650 0.0000 1 362 144 40 LEU CG C 27.0980 0.0000 1 363 144 40 LEU CD1 C 24.7800 0.0000 2 364 144 40 LEU CD2 C 23.6210 0.0000 2 365 144 40 LEU N N 127.6580 0.0000 1 366 145 41 GLY H H 8.3090 0.0000 1 367 145 41 GLY HA2 H 3.9530 0.0000 2 368 145 41 GLY C C 173.5760 0.0000 1 369 145 41 GLY CA C 45.0620 0.0000 1 370 145 41 GLY N N 110.8040 0.0000 1 371 146 42 ASP H H 8.2150 0.0000 1 372 146 42 ASP HA H 4.6530 0.0000 1 373 146 42 ASP HB2 H 2.7310 0.0000 2 374 146 42 ASP HB3 H 2.6150 0.0000 2 375 146 42 ASP C C 176.5010 0.0000 1 376 146 42 ASP CA C 54.3340 0.0000 1 377 146 42 ASP CB C 41.5860 0.0000 1 378 146 42 ASP N N 121.7840 0.0000 1 379 147 43 VAL H H 8.1400 0.0000 1 380 147 43 VAL HA H 4.1260 0.0000 1 381 147 43 VAL HB H 2.1550 0.0000 1 382 147 43 VAL HG1 H 0.9600 0.0000 2 383 147 43 VAL C C 176.3430 0.0000 1 384 147 43 VAL CA C 62.4470 0.0000 1 385 147 43 VAL CB C 32.3140 0.0000 1 386 147 43 VAL CG1 C 20.7230 0.0000 2 387 147 43 VAL N N 122.1210 0.0000 1 388 148 44 ARG H H 8.4060 0.0000 1 389 148 44 ARG HA H 4.3530 0.0000 1 390 148 44 ARG HB2 H 1.8830 0.0000 2 391 148 44 ARG HB3 H 1.8060 0.0000 2 392 148 44 ARG HG2 H 1.6700 0.0000 2 393 148 44 ARG HG3 H 1.6440 0.0000 2 394 148 44 ARG HD2 H 3.2130 0.0000 2 395 148 44 ARG C C 176.4210 0.0000 1 396 148 44 ARG CA C 56.0730 0.0000 1 397 148 44 ARG CB C 30.5750 0.0000 1 398 148 44 ARG CG C 27.0980 0.0000 1 399 148 44 ARG CD C 43.3240 0.0000 1 400 148 44 ARG N N 125.5050 0.0000 1 401 149 45 GLU H H 8.3860 0.0000 1 402 149 45 GLU HA H 4.3090 0.0000 1 403 149 45 GLU HB2 H 2.0650 0.0000 2 404 149 45 GLU HB3 H 1.9730 0.0000 2 405 149 45 GLU HG2 H 2.2750 0.0000 2 406 149 45 GLU C C 176.6590 0.0000 1 407 149 45 GLU CA C 56.7180 0.0000 1 408 149 45 GLU CB C 30.3240 0.0000 1 409 149 45 GLU CG C 36.1970 0.0000 1 410 149 45 GLU N N 122.6100 0.0000 1 411 150 46 SER H H 8.3630 0.0000 1 412 150 46 SER HA H 4.4980 0.0000 1 413 150 46 SER HB2 H 3.9590 0.0000 2 414 150 46 SER HB3 H 3.8920 0.0000 2 415 150 46 SER C C 175.0920 0.0000 1 416 150 46 SER CA C 58.9700 0.0000 1 417 150 46 SER CB C 63.6070 0.0000 1 418 150 46 SER N N 117.8290 0.0000 1 419 151 47 THR H H 8.1480 0.0000 1 420 151 47 THR HA H 4.3550 0.0000 1 421 151 47 THR HB H 4.2780 0.0000 1 422 151 47 THR HG2 H 1.2230 0.0000 1 423 151 47 THR C C 174.4850 0.0000 1 424 151 47 THR CA C 61.8680 0.0000 1 425 151 47 THR CB C 32.3140 0.0000 1 426 151 47 THR CG2 C 21.8820 0.0000 1 427 151 47 THR N N 116.6780 0.0000 1 428 152 48 ALA H H 8.1650 0.0000 1 429 152 48 ALA HA H 4.2760 0.0000 1 430 152 48 ALA HB H 1.2970 0.0000 1 431 152 48 ALA C C 177.3790 0.0000 1 432 152 48 ALA CA C 52.5960 0.0000 1 433 152 48 ALA CB C 18.9850 0.0000 1 434 152 48 ALA N N 126.7570 0.0000 1 435 153 49 PHE H H 8.0190 0.0000 1 436 153 49 PHE HA H 4.6510 0.0000 1 437 153 49 PHE HB2 H 3.1900 0.0000 2 438 153 49 PHE HB3 H 3.0620 0.0000 2 439 153 49 PHE HD2 H 7.2840 0.0000 3 440 153 49 PHE HE2 H 7.3770 0.0000 3 441 153 49 PHE HZ H 7.3230 0.0000 1 442 153 49 PHE C C 175.6760 0.0000 1 443 153 49 PHE CA C 57.8110 0.0000 1 444 153 49 PHE CB C 39.2680 0.0000 1 445 153 49 PHE CD2 C 131.9860 0.0000 3 446 153 49 PHE CE2 C 131.4070 0.0000 3 447 153 49 PHE CZ C 129.6680 0.0000 1 448 153 49 PHE N N 119.8210 0.0000 1 449 154 50 SER H H 8.1070 0.0000 1 450 154 50 SER HA H 4.4720 0.0000 1 451 154 50 SER HB2 H 3.8250 0.0000 2 452 154 50 SER C C 174.0580 0.0000 1 453 154 50 SER CA C 58.3910 0.0000 1 454 154 50 SER CB C 64.1860 0.0000 1 455 154 50 SER N N 118.3650 0.0000 1 456 155 51 ARG H H 8.3050 0.0000 1 457 155 51 ARG HA H 4.4500 0.0000 1 458 155 51 ARG HB2 H 1.9700 0.0000 2 459 155 51 ARG HB3 H 1.8050 0.0000 2 460 155 51 ARG HG2 H 1.7030 0.0000 2 461 155 51 ARG HD2 H 3.2530 0.0000 2 462 155 51 ARG C C 175.3950 0.0000 1 463 155 51 ARG CA C 56.0730 0.0000 1 464 155 51 ARG CB C 30.5750 0.0000 1 465 155 51 ARG CG C 27.0980 0.0000 1 466 155 51 ARG CD C 43.3240 0.0000 1 467 155 51 ARG N N 124.6670 0.0000 1 468 156 52 SER H H 7.9770 0.0000 1 469 156 52 SER HA H 4.2970 0.0000 1 470 156 52 SER HB2 H 3.8610 0.0000 2 471 156 52 SER CA C 60.1290 0.0000 1 472 156 52 SER CB C 64.1860 0.0000 1 473 156 52 SER N N 123.8080 0.0000 1 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 'TFIIH p62 PH domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 3 MET HA H 4.4010 0.0000 1 2 1 3 MET HB2 H 1.9100 0.0000 2 3 1 3 MET HB3 H 1.8650 0.0000 2 4 1 3 MET HG2 H 2.3960 0.0000 2 5 1 3 MET HG3 H 2.3410 0.0000 2 6 1 3 MET C C 175.8990 0.0000 1 7 1 3 MET CA C 55.4930 0.0000 1 8 1 3 MET CB C 32.3140 0.0000 1 9 1 3 MET CG C 31.7340 0.0000 1 10 2 4 ALA H H 8.2470 0.0000 1 11 2 4 ALA HA H 4.3740 0.0000 1 12 2 4 ALA HB H 1.3770 0.0000 1 13 2 4 ALA C C 177.8160 0.0000 1 14 2 4 ALA CA C 52.5960 0.0000 1 15 2 4 ALA CB C 18.9850 0.0000 1 16 2 4 ALA N N 125.9900 0.0000 1 17 3 5 THR H H 8.1270 0.0000 1 18 3 5 THR HA H 4.3700 0.0000 1 19 3 5 THR HB H 4.3300 0.0000 1 20 3 5 THR HG2 H 1.1720 0.0000 1 21 3 5 THR C C 174.7830 0.0000 1 22 3 5 THR CA C 61.2880 0.0000 1 23 3 5 THR CB C 69.4010 0.0000 1 24 3 5 THR CG2 C 21.8820 0.0000 1 25 3 5 THR N N 113.6610 0.0000 1 26 4 6 SER H H 8.2840 0.0000 1 27 4 6 SER HA H 4.5310 0.0000 1 28 4 6 SER HB2 H 3.8800 0.0000 2 29 4 6 SER HB3 H 3.8610 0.0000 2 30 4 6 SER C C 174.6850 0.0000 1 31 4 6 SER CA C 58.3910 0.0000 1 32 4 6 SER CB C 63.6180 0.0000 1 33 4 6 SER N N 118.3120 0.0000 1 34 5 7 SER H H 8.3240 0.0000 1 35 5 7 SER HA H 4.4970 0.0000 1 36 5 7 SER HB2 H 3.9700 0.0000 2 37 5 7 SER HB3 H 3.9040 0.0000 2 38 5 7 SER C C 173.9190 0.0000 1 39 5 7 SER CA C 58.3910 0.0000 1 40 5 7 SER CB C 63.6180 0.0000 1 41 5 7 SER N N 118.4250 0.0000 1 42 6 8 GLU H H 8.0580 0.0000 1 43 6 8 GLU HA H 4.3200 0.0000 1 44 6 8 GLU HB2 H 2.0290 0.0000 2 45 6 8 GLU HB3 H 1.9360 0.0000 2 46 6 8 GLU HG2 H 2.3140 0.0000 2 47 6 8 GLU C C 175.4020 0.0000 1 48 6 8 GLU CA C 56.0730 0.0000 1 49 6 8 GLU CB C 31.1550 0.0000 1 50 6 8 GLU CG C 36.3700 0.0000 1 51 6 8 GLU N N 124.8740 0.0000 1 52 7 9 GLU H H 8.5760 0.0000 1 53 7 9 GLU HA H 4.2250 0.0000 1 54 7 9 GLU HB2 H 2.0310 0.0000 2 55 7 9 GLU HG2 H 2.3100 0.0000 2 56 7 9 GLU HG3 H 2.1640 0.0000 2 57 7 9 GLU C C 175.0340 0.0000 1 58 7 9 GLU CA C 57.2320 0.0000 1 59 7 9 GLU CB C 30.5750 0.0000 1 60 7 9 GLU CG C 35.7910 0.0000 1 61 7 9 GLU N N 126.8570 0.0000 1 62 8 10 VAL H H 8.4170 0.0000 1 63 8 10 VAL HA H 4.2840 0.0000 1 64 8 10 VAL HB H 2.1160 0.0000 1 65 8 10 VAL HG1 H 0.9700 0.0000 1 66 8 10 VAL HG2 H 1.1550 0.0000 1 67 8 10 VAL C C 176.0960 0.0000 1 68 8 10 VAL CA C 62.4470 0.0000 1 69 8 10 VAL CB C 32.8930 0.0000 1 70 8 10 VAL CG1 C 21.8830 0.0000 1 71 8 10 VAL CG2 C 21.8830 0.0000 1 72 8 10 VAL N N 125.8530 0.0000 1 73 9 11 LEU H H 9.5300 0.0000 1 74 9 11 LEU HA H 4.4200 0.0000 1 75 9 11 LEU HB2 H 1.4960 0.0000 1 76 9 11 LEU HB3 H 1.5800 0.0000 1 77 9 11 LEU HG H 1.4990 0.0000 1 78 9 11 LEU HD1 H 0.9170 0.0000 1 79 9 11 LEU HD2 H 0.8460 0.0000 1 80 9 11 LEU C C 177.3810 0.0000 1 81 9 11 LEU CA C 56.0730 0.0000 1 82 9 11 LEU CB C 42.7440 0.0000 1 83 9 11 LEU CG C 28.2570 0.0000 1 84 9 11 LEU CD1 C 26.5190 0.0000 1 85 9 11 LEU CD2 C 22.4620 0.0000 1 86 9 11 LEU N N 129.1980 0.0000 1 87 10 12 LEU H H 7.6730 0.0000 1 88 10 12 LEU HA H 4.4550 0.0000 1 89 10 12 LEU HB2 H 1.5760 0.0000 1 90 10 12 LEU HB3 H 1.5510 0.0000 1 91 10 12 LEU HG H 1.4110 0.0000 1 92 10 12 LEU HD1 H 1.0030 0.0000 1 93 10 12 LEU HD2 H 0.8050 0.0000 1 94 10 12 LEU C C 173.1100 0.0000 1 95 10 12 LEU CA C 55.4930 0.0000 1 96 10 12 LEU CB C 46.2210 0.0000 1 97 10 12 LEU CG C 27.0980 0.0000 1 98 10 12 LEU CD1 C 23.0420 0.0000 1 99 10 12 LEU CD2 C 26.5190 0.0000 1 100 10 12 LEU N N 120.4290 0.0000 1 101 11 13 ILE H H 8.0640 0.0000 1 102 11 13 ILE HA H 4.8170 0.0000 1 103 11 13 ILE HB H 1.3270 0.0000 1 104 11 13 ILE HG12 H 1.2620 0.0000 2 105 11 13 ILE HG13 H 0.2050 0.0000 2 106 11 13 ILE HG2 H 0.2630 0.0000 1 107 11 13 ILE HD1 H 0.7370 0.0000 1 108 11 13 ILE C C 175.8990 0.0000 1 109 11 13 ILE CA C 60.1290 0.0000 1 110 11 13 ILE CB C 40.4270 0.0000 1 111 11 13 ILE CG1 C 27.0980 0.0000 1 112 11 13 ILE CG2 C 16.0880 0.0000 1 113 11 13 ILE CD1 C 14.3490 0.0000 1 114 11 13 ILE N N 126.3750 0.0000 1 115 12 14 VAL H H 9.2430 0.0000 1 116 12 14 VAL HA H 4.3540 0.0000 1 117 12 14 VAL HB H 1.9120 0.0000 1 118 12 14 VAL HG1 H 1.1760 0.0000 1 119 12 14 VAL HG2 H 0.8840 0.0000 1 120 12 14 VAL C C 174.9870 0.0000 1 121 12 14 VAL CA C 61.2880 0.0000 1 122 12 14 VAL CB C 34.0520 0.0000 1 123 12 14 VAL CG1 C 22.4620 0.0000 1 124 12 14 VAL CG2 C 20.1440 0.0000 1 125 12 14 VAL N N 129.2090 0.0000 1 126 13 15 LYS H H 8.6130 0.0000 1 127 13 15 LYS HA H 4.4670 0.0000 1 128 13 15 LYS HB2 H 1.8180 0.0000 1 129 13 15 LYS HB3 H 1.9670 0.0000 1 130 13 15 LYS HG2 H 1.5290 0.0000 2 131 13 15 LYS HG3 H 1.3530 0.0000 2 132 13 15 LYS HD2 H 1.6710 0.0000 2 133 13 15 LYS HE2 H 2.9540 0.0000 2 134 13 15 LYS HE3 H 2.9270 0.0000 2 135 13 15 LYS C C 176.0450 0.0000 1 136 13 15 LYS CA C 56.0730 0.0000 1 137 13 15 LYS CB C 33.4730 0.0000 1 138 13 15 LYS CG C 25.9390 0.0000 1 139 13 15 LYS CD C 28.8370 0.0000 1 140 13 15 LYS CE C 41.5860 0.0000 1 141 13 15 LYS N N 126.5300 0.0000 1 142 14 16 LYS H H 8.6830 0.0000 1 143 14 16 LYS HA H 4.2280 0.0000 1 144 14 16 LYS HB2 H 1.8150 0.0000 1 145 14 16 LYS HB3 H 2.1230 0.0000 1 146 14 16 LYS HG2 H 1.4100 0.0000 2 147 14 16 LYS HG3 H 1.3710 0.0000 2 148 14 16 LYS HD2 H 1.7050 0.0000 2 149 14 16 LYS HD3 H 1.6540 0.0000 2 150 14 16 LYS HE2 H 2.9720 0.0000 2 151 14 16 LYS C C 176.3730 0.0000 1 152 14 16 LYS CA C 56.6520 0.0000 1 153 14 16 LYS CB C 28.8370 0.0000 1 154 14 16 LYS CG C 24.7800 0.0000 1 155 14 16 LYS CD C 28.8370 0.0000 1 156 14 16 LYS CE C 42.1650 0.0000 1 157 14 16 LYS N N 117.2720 0.0000 1 158 15 17 VAL H H 8.3830 0.0000 1 159 15 17 VAL HA H 4.6130 0.0000 1 160 15 17 VAL HB H 1.6600 0.0000 1 161 15 17 VAL HG1 H 0.4700 0.0000 1 162 15 17 VAL HG2 H 0.5050 0.0000 1 163 15 17 VAL C C 176.6530 0.0000 1 164 15 17 VAL CA C 61.2880 0.0000 1 165 15 17 VAL CB C 32.8930 0.0000 1 166 15 17 VAL CG1 C 22.4620 0.0000 1 167 15 17 VAL CG2 C 23.0420 0.0000 1 168 15 17 VAL N N 122.8860 0.0000 1 169 16 18 ARG H H 9.9760 0.0000 1 170 16 18 ARG HA H 5.7040 0.0000 1 171 16 18 ARG HB2 H 1.6760 0.0000 1 172 16 18 ARG HB3 H 1.9300 0.0000 1 173 16 18 ARG HG2 H 1.6050 0.0000 2 174 16 18 ARG HG3 H 1.5360 0.0000 2 175 16 18 ARG HD2 H 3.3010 0.0000 2 176 16 18 ARG HD3 H 3.0600 0.0000 2 177 16 18 ARG C C 175.9460 0.0000 1 178 16 18 ARG CA C 54.9140 0.0000 1 179 16 18 ARG CB C 33.4730 0.0000 1 180 16 18 ARG CG C 28.2570 0.0000 1 181 16 18 ARG CD C 43.9030 0.0000 1 182 16 18 ARG N N 131.2600 0.0000 1 183 17 19 GLN H H 8.2270 0.0000 1 184 17 19 GLN HA H 4.2870 0.0000 1 185 17 19 GLN HB2 H 0.4330 0.0000 1 186 17 19 GLN HB3 H 0.4030 0.0000 1 187 17 19 GLN HG2 H 1.6620 0.0000 2 188 17 19 GLN HG3 H 1.1670 0.0000 2 189 17 19 GLN HE21 H 6.6570 0.0000 2 190 17 19 GLN HE22 H 5.8610 0.0000 2 191 17 19 GLN C C 174.9040 0.0000 1 192 17 19 GLN CA C 56.0730 0.0000 1 193 17 19 GLN CB C 28.8370 0.0000 1 194 17 19 GLN CG C 34.0520 0.0000 1 195 17 19 GLN N N 124.5360 0.0000 1 196 17 19 GLN NE2 N 111.6190 0.0000 1 197 18 20 LYS H H 9.5100 0.0000 1 198 18 20 LYS HA H 3.7790 0.0000 1 199 18 20 LYS HB2 H 1.9380 0.0000 2 200 18 20 LYS HB3 H 1.7110 0.0000 2 201 18 20 LYS HG2 H 1.4170 0.0000 2 202 18 20 LYS HG3 H 1.3070 0.0000 2 203 18 20 LYS HD2 H 1.7110 0.0000 2 204 18 20 LYS HE2 H 3.0240 0.0000 2 205 18 20 LYS C C 175.6120 0.0000 1 206 18 20 LYS CA C 57.8110 0.0000 1 207 18 20 LYS CB C 29.9960 0.0000 1 208 18 20 LYS CG C 25.3600 0.0000 1 209 18 20 LYS CD C 29.4160 0.0000 1 210 18 20 LYS CE C 42.1650 0.0000 1 211 18 20 LYS N N 128.2460 0.0000 1 212 19 21 LYS H H 8.8160 0.0000 1 213 19 21 LYS HA H 3.7580 0.0000 1 214 19 21 LYS HB2 H 2.1480 0.0000 2 215 19 21 LYS HB3 H 2.0770 0.0000 2 216 19 21 LYS HG2 H 1.3730 0.0000 2 217 19 21 LYS HD2 H 1.7220 0.0000 2 218 19 21 LYS HD3 H 1.6830 0.0000 2 219 19 21 LYS HE2 H 2.9860 0.0000 2 220 19 21 LYS C C 174.9780 0.0000 1 221 19 21 LYS CA C 57.8110 0.0000 1 222 19 21 LYS CB C 29.9960 0.0000 1 223 19 21 LYS CG C 25.3600 0.0000 1 224 19 21 LYS CD C 29.4160 0.0000 1 225 19 21 LYS CE C 42.1650 0.0000 1 226 19 21 LYS N N 111.2140 0.0000 1 227 20 22 GLN H H 7.7590 0.0000 1 228 20 22 GLN HA H 4.7620 0.0000 1 229 20 22 GLN HB2 H 2.5360 0.0000 2 230 20 22 GLN HB3 H 2.4360 0.0000 2 231 20 22 GLN HG2 H 2.6510 0.0000 2 232 20 22 GLN HG3 H 2.6320 0.0000 2 233 20 22 GLN HE21 H 7.6720 0.0000 2 234 20 22 GLN HE22 H 6.9760 0.0000 2 235 20 22 GLN C C 175.3620 0.0000 1 236 20 22 GLN CA C 54.9140 0.0000 1 237 20 22 GLN CB C 31.7340 0.0000 1 238 20 22 GLN CG C 34.0520 0.0000 1 239 20 22 GLN N N 120.4380 0.0000 1 240 20 22 GLN NE2 N 113.2070 0.0000 1 241 21 23 ASP H H 8.8280 0.0000 1 242 21 23 ASP HA H 4.6880 0.0000 1 243 21 23 ASP HB2 H 2.6390 0.0000 1 244 21 23 ASP HB3 H 2.7040 0.0000 1 245 21 23 ASP C C 177.0970 0.0000 1 246 21 23 ASP CA C 56.0730 0.0000 1 247 21 23 ASP CB C 42.1650 0.0000 1 248 21 23 ASP N N 124.6710 0.0000 1 249 22 24 GLY H H 7.8500 0.0000 1 250 22 24 GLY HA2 H 4.1470 0.0000 2 251 22 24 GLY HA3 H 4.0180 0.0000 2 252 22 24 GLY C C 170.5160 0.0000 1 253 22 24 GLY CA C 46.8010 0.0000 1 254 22 24 GLY N N 113.4250 0.0000 1 255 23 25 ALA H H 7.8600 0.0000 1 256 23 25 ALA HA H 5.1670 0.0000 1 257 23 25 ALA HB H 1.2620 0.0000 1 258 23 25 ALA C C 173.5730 0.0000 1 259 23 25 ALA CA C 50.2780 0.0000 1 260 23 25 ALA CB C 22.4620 0.0000 1 261 23 25 ALA N N 123.0570 0.0000 1 262 24 26 LEU H H 9.0330 0.0000 1 263 24 26 LEU HA H 4.9630 0.0000 1 264 24 26 LEU HB2 H 1.8670 0.0000 1 265 24 26 LEU HB3 H 0.9740 0.0000 1 266 24 26 LEU HG H 1.3230 0.0000 1 267 24 26 LEU HD1 H 0.5780 0.0000 1 268 24 26 LEU HD2 H 0.2570 0.0000 1 269 24 26 LEU C C 173.8120 0.0000 1 270 24 26 LEU CA C 53.1750 0.0000 1 271 24 26 LEU CB C 47.3800 0.0000 1 272 24 26 LEU CG C 26.5190 0.0000 1 273 24 26 LEU CD1 C 26.5190 0.0000 1 274 24 26 LEU CD2 C 23.6210 0.0000 1 275 24 26 LEU N N 124.8570 0.0000 1 276 25 27 TYR H H 9.6360 0.0000 1 277 25 27 TYR HA H 5.0190 0.0000 1 278 25 27 TYR HB2 H 2.6910 0.0000 1 279 25 27 TYR HB3 H 2.8130 0.0000 1 280 25 27 TYR HD2 H 7.1260 0.0000 3 281 25 27 TYR HE2 H 6.7490 0.0000 3 282 25 27 TYR C C 174.2350 0.0000 1 283 25 27 TYR CA C 56.6520 0.0000 1 284 25 27 TYR CB C 41.0060 0.0000 1 285 25 27 TYR CD2 C 133.1450 0.0000 3 286 25 27 TYR CE2 C 118.0780 0.0000 3 287 25 27 TYR N N 126.5660 0.0000 1 288 26 28 LEU H H 9.2980 0.0000 1 289 26 28 LEU HA H 4.8480 0.0000 1 290 26 28 LEU HB2 H 1.8010 0.0000 2 291 26 28 LEU HG H 1.9230 0.0000 1 292 26 28 LEU HD1 H 1.0800 0.0000 1 293 26 28 LEU HD2 H 1.0370 0.0000 1 294 26 28 LEU C C 175.3450 0.0000 1 295 26 28 LEU CA C 56.6520 0.0000 1 296 26 28 LEU CB C 41.5860 0.0000 1 297 26 28 LEU CG C 31.7340 0.0000 1 298 26 28 LEU CD1 C 27.0980 0.0000 1 299 26 28 LEU CD2 C 24.7800 0.0000 1 300 26 28 LEU N N 126.0860 0.0000 1 301 27 29 MET H H 8.8850 0.0000 1 302 27 29 MET HA H 5.3500 0.0000 1 303 27 29 MET HB2 H 2.1200 0.0000 1 304 27 29 MET HB3 H 2.5430 0.0000 1 305 27 29 MET HG2 H 2.6070 0.0000 2 306 27 29 MET HG3 H 2.3540 0.0000 2 307 27 29 MET HE H 1.6710 0.0000 1 308 27 29 MET C C 176.0810 0.0000 1 309 27 29 MET CA C 53.7550 0.0000 1 310 27 29 MET CB C 34.0520 0.0000 1 311 27 29 MET CG C 34.0520 0.0000 1 312 27 29 MET CE C 18.4060 0.0000 1 313 27 29 MET N N 123.7520 0.0000 1 314 28 30 ALA H H 8.0480 0.0000 1 315 28 30 ALA HA H 4.2560 0.0000 1 316 28 30 ALA HB H 1.7160 0.0000 1 317 28 30 ALA C C 178.8600 0.0000 1 318 28 30 ALA CA C 56.6520 0.0000 1 319 28 30 ALA CB C 19.5640 0.0000 1 320 28 30 ALA N N 122.5320 0.0000 1 321 29 31 GLU H H 8.6140 0.0000 1 322 29 31 GLU HA H 4.3590 0.0000 1 323 29 31 GLU HB2 H 1.9520 0.0000 1 324 29 31 GLU HB3 H 1.7470 0.0000 1 325 29 31 GLU HG2 H 2.3220 0.0000 2 326 29 31 GLU HG3 H 2.1780 0.0000 2 327 29 31 GLU C C 175.5250 0.0000 1 328 29 31 GLU CA C 55.4930 0.0000 1 329 29 31 GLU CB C 31.7340 0.0000 1 330 29 31 GLU CG C 36.9500 0.0000 1 331 29 31 GLU N N 109.0580 0.0000 1 332 30 32 ARG H H 6.5950 0.0000 1 333 30 32 ARG HA H 3.8960 0.0000 1 334 30 32 ARG HB2 H 1.9110 0.0000 1 335 30 32 ARG HB3 H 1.0550 0.0000 1 336 30 32 ARG HG2 H 1.3940 0.0000 2 337 30 32 ARG HG3 H 0.8500 0.0000 2 338 30 32 ARG HD2 H 2.8150 0.0000 2 339 30 32 ARG HD3 H 2.6780 0.0000 2 340 30 32 ARG C C 170.3780 0.0000 1 341 30 32 ARG CA C 53.1750 0.0000 1 342 30 32 ARG CB C 33.4730 0.0000 1 343 30 32 ARG CG C 24.7800 0.0000 1 344 30 32 ARG CD C 43.9030 0.0000 1 345 30 32 ARG N N 117.1630 0.0000 1 346 31 33 ILE H H 8.2720 0.0000 1 347 31 33 ILE HA H 5.2030 0.0000 1 348 31 33 ILE HB H 2.0170 0.0000 1 349 31 33 ILE HG12 H 1.8620 0.0000 2 350 31 33 ILE HG13 H 0.9550 0.0000 2 351 31 33 ILE HG2 H 1.1320 0.0000 1 352 31 33 ILE HD1 H 0.9750 0.0000 1 353 31 33 ILE C C 171.4950 0.0000 1 354 31 33 ILE CA C 57.8110 0.0000 1 355 31 33 ILE CB C 41.5860 0.0000 1 356 31 33 ILE CG1 C 28.8370 0.0000 1 357 31 33 ILE CG2 C 16.0880 0.0000 1 358 31 33 ILE CD1 C 15.5080 0.0000 1 359 31 33 ILE N N 118.9740 0.0000 1 360 32 34 ALA H H 9.2420 0.0000 1 361 32 34 ALA HA H 5.0460 0.0000 1 362 32 34 ALA HB H 0.3250 0.0000 1 363 32 34 ALA C C 173.9550 0.0000 1 364 32 34 ALA CA C 50.2780 0.0000 1 365 32 34 ALA CB C 21.8830 0.0000 1 366 32 34 ALA N N 130.0330 0.0000 1 367 33 35 TRP H H 8.8000 0.0000 1 368 33 35 TRP HA H 5.7610 0.0000 1 369 33 35 TRP HB2 H 3.2500 0.0000 1 370 33 35 TRP HB3 H 3.0150 0.0000 1 371 33 35 TRP HD1 H 6.4650 0.0000 1 372 33 35 TRP HE1 H 9.9830 0.0000 1 373 33 35 TRP HE3 H 7.5620 0.0000 1 374 33 35 TRP HZ2 H 7.8480 0.0000 1 375 33 35 TRP HZ3 H 7.1280 0.0000 1 376 33 35 TRP HH2 H 7.1940 0.0000 1 377 33 35 TRP C C 174.3220 0.0000 1 378 33 35 TRP CA C 56.6520 0.0000 1 379 33 35 TRP CB C 34.0520 0.0000 1 380 33 35 TRP CD1 C 125.6120 0.0000 1 381 33 35 TRP CE3 C 120.3960 0.0000 1 382 33 35 TRP CZ2 C 115.1810 0.0000 1 383 33 35 TRP CZ3 C 122.1350 0.0000 1 384 33 35 TRP CH2 C 124.4530 0.0000 1 385 33 35 TRP N N 121.5100 0.0000 1 386 33 35 TRP NE1 N 129.7290 0.0000 1 387 34 36 ALA H H 8.0970 0.0000 1 388 34 36 ALA HA H 5.0960 0.0000 1 389 34 36 ALA HB H 1.0950 0.0000 1 390 34 36 ALA C C 173.2940 0.0000 1 391 34 36 ALA CA C 47.9600 0.0000 1 392 34 36 ALA CB C 22.4620 0.0000 1 393 34 36 ALA N N 131.2600 0.0000 1 394 35 37 PRO HA H 4.1070 0.0000 1 395 35 37 PRO HB2 H 1.8250 0.0000 2 396 35 37 PRO HB3 H 2.3950 0.0000 2 397 35 37 PRO HG2 H 2.2230 0.0000 2 398 35 37 PRO HG3 H 2.0070 0.0000 2 399 35 37 PRO HD2 H 3.9900 0.0000 2 400 35 37 PRO HD3 H 3.5880 0.0000 2 401 35 37 PRO C C 176.4990 0.0000 1 402 35 37 PRO CA C 61.8680 0.0000 1 403 35 37 PRO CB C 31.7340 0.0000 1 404 35 37 PRO CG C 27.0980 0.0000 1 405 35 37 PRO CD C 50.8570 0.0000 1 406 36 38 GLU H H 8.4440 0.0000 1 407 36 38 GLU HA H 4.0380 0.0000 1 408 36 38 GLU HB2 H 1.9040 0.0000 2 409 36 38 GLU HB3 H 1.8370 0.0000 2 410 36 38 GLU HG2 H 2.2540 0.0000 2 411 36 38 GLU HG3 H 2.1790 0.0000 2 412 36 38 GLU C C 177.5050 0.0000 1 413 36 38 GLU CA C 57.8110 0.0000 1 414 36 38 GLU CB C 29.4160 0.0000 1 415 36 38 GLU CG C 35.7910 0.0000 1 416 36 38 GLU N N 124.0500 0.0000 1 417 37 39 GLY H H 8.6660 0.0000 1 418 37 39 GLY HA2 H 4.2030 0.0000 2 419 37 39 GLY HA3 H 3.7100 0.0000 2 420 37 39 GLY C C 174.0100 0.0000 1 421 37 39 GLY CA C 45.0620 0.0000 1 422 37 39 GLY N N 114.2820 0.0000 1 423 38 40 LYS H H 7.6550 0.0000 1 424 38 40 LYS HA H 4.6220 0.0000 1 425 38 40 LYS HB2 H 1.8920 0.0000 2 426 38 40 LYS HB3 H 1.8350 0.0000 2 427 38 40 LYS HG2 H 1.4410 0.0000 2 428 38 40 LYS HG3 H 1.3660 0.0000 2 429 38 40 LYS HD2 H 1.6820 0.0000 2 430 38 40 LYS HD3 H 1.6210 0.0000 2 431 38 40 LYS HE2 H 3.0000 0.0000 2 432 38 40 LYS HE3 H 2.9780 0.0000 2 433 38 40 LYS C C 175.7430 0.0000 1 434 38 40 LYS CA C 54.3340 0.0000 1 435 38 40 LYS CB C 34.0520 0.0000 1 436 38 40 LYS CG C 25.3600 0.0000 1 437 38 40 LYS CD C 28.2570 0.0000 1 438 38 40 LYS CE C 42.1650 0.0000 1 439 38 40 LYS N N 120.2690 0.0000 1 440 39 41 ASP H H 8.2140 0.0000 1 441 39 41 ASP HA H 4.4200 0.0000 1 442 39 41 ASP HB2 H 2.6800 0.0000 2 443 39 41 ASP HB3 H 2.5340 0.0000 2 444 39 41 ASP C C 174.8360 0.0000 1 445 39 41 ASP CA C 53.1750 0.0000 1 446 39 41 ASP CB C 40.4270 0.0000 1 447 39 41 ASP N N 120.4500 0.0000 1 448 40 42 ARG H H 6.8700 0.0000 1 449 40 42 ARG HA H 4.2450 0.0000 1 450 40 42 ARG HB2 H 1.6840 0.0000 2 451 40 42 ARG HB3 H 1.5840 0.0000 2 452 40 42 ARG HG2 H 1.4440 0.0000 2 453 40 42 ARG HD2 H 3.1280 0.0000 2 454 40 42 ARG C C 174.5490 0.0000 1 455 40 42 ARG CA C 53.7550 0.0000 1 456 40 42 ARG CB C 32.3140 0.0000 1 457 40 42 ARG CG C 25.9390 0.0000 1 458 40 42 ARG CD C 43.3240 0.0000 1 459 40 42 ARG N N 116.9700 0.0000 1 460 41 43 PHE H H 7.8860 0.0000 1 461 41 43 PHE HA H 4.7220 0.0000 1 462 41 43 PHE HB2 H 3.2080 0.0000 1 463 41 43 PHE HB3 H 2.7570 0.0000 1 464 41 43 PHE HD1 H 6.9270 0.0000 3 465 41 43 PHE HE1 H 6.5490 0.0000 3 466 41 43 PHE HZ H 6.5140 0.0000 1 467 41 43 PHE C C 177.5050 0.0000 1 468 41 43 PHE CA C 57.2320 0.0000 1 469 41 43 PHE CB C 38.6880 0.0000 1 470 41 43 PHE CD1 C 131.4080 0.0000 3 471 41 43 PHE CE1 C 131.4080 0.0000 3 472 41 43 PHE CZ C 131.4080 0.0000 1 473 41 43 PHE N N 120.2940 0.0000 1 474 42 44 THR H H 8.6800 0.0000 1 475 42 44 THR HA H 4.6100 0.0000 1 476 42 44 THR HB H 4.5250 0.0000 1 477 42 44 THR HG2 H 1.2990 0.0000 1 478 42 44 THR C C 174.7690 0.0000 1 479 42 44 THR CA C 62.4470 0.0000 1 480 42 44 THR CB C 68.8220 0.0000 1 481 42 44 THR CG2 C 23.0420 0.0000 1 482 42 44 THR N N 114.7650 0.0000 1 483 43 45 ILE H H 7.8850 0.0000 1 484 43 45 ILE HA H 4.3130 0.0000 1 485 43 45 ILE HB H 1.9970 0.0000 1 486 43 45 ILE HG12 H 1.5510 0.0000 2 487 43 45 ILE HG13 H 1.3150 0.0000 2 488 43 45 ILE HG2 H 0.6690 0.0000 1 489 43 45 ILE HD1 H 0.6840 0.0000 1 490 43 45 ILE C C 174.6910 0.0000 1 491 43 45 ILE CA C 59.5500 0.0000 1 492 43 45 ILE CB C 41.5860 0.0000 1 493 43 45 ILE CG1 C 27.0980 0.0000 1 494 43 45 ILE CG2 C 16.6670 0.0000 1 495 43 45 ILE CD1 C 12.6110 0.0000 1 496 43 45 ILE N N 124.1070 0.0000 1 497 44 46 SER H H 8.0790 0.0000 1 498 44 46 SER HA H 4.7270 0.0000 1 499 44 46 SER HB2 H 3.5630 0.0000 1 500 44 46 SER HB3 H 3.3270 0.0000 1 501 44 46 SER C C 172.7700 0.0000 1 502 44 46 SER CA C 57.2320 0.0000 1 503 44 46 SER CB C 63.0270 0.0000 1 504 44 46 SER N N 120.7120 0.0000 1 505 45 47 HIS H H 9.0360 0.0000 1 506 45 47 HIS HA H 5.2850 0.0000 1 507 45 47 HIS HB2 H 2.6430 0.0000 1 508 45 47 HIS HB3 H 2.8450 0.0000 1 509 45 47 HIS HD2 H 6.4090 0.0000 1 510 45 47 HIS C C 175.0060 0.0000 1 511 45 47 HIS CA C 53.1750 0.0000 1 512 45 47 HIS CB C 31.7340 0.0000 1 513 45 47 HIS CD2 C 123.2940 0.0000 1 514 45 47 HIS N N 126.0310 0.0000 1 515 46 48 MET H H 9.2310 0.0000 1 516 46 48 MET HA H 4.3530 0.0000 1 517 46 48 MET HB2 H 2.4760 0.0000 1 518 46 48 MET HB3 H 1.9760 0.0000 1 519 46 48 MET HG2 H 2.7950 0.0000 2 520 46 48 MET HG3 H 2.6010 0.0000 2 521 46 48 MET HE H 2.0370 0.0000 1 522 46 48 MET C C 178.9750 0.0000 1 523 46 48 MET CA C 54.3340 0.0000 1 524 46 48 MET CB C 29.4160 0.0000 1 525 46 48 MET CG C 32.3140 0.0000 1 526 46 48 MET CE C 16.6670 0.0000 1 527 46 48 MET N N 124.7440 0.0000 1 528 47 49 TYR H H 7.7780 0.0000 1 529 47 49 TYR HA H 4.3490 0.0000 1 530 47 49 TYR HB2 H 2.9560 0.0000 1 531 47 49 TYR HB3 H 2.3280 0.0000 1 532 47 49 TYR HD2 H 6.6130 0.0000 3 533 47 49 TYR HE2 H 6.6180 0.0000 3 534 47 49 TYR C C 179.2650 0.0000 1 535 47 49 TYR CA C 60.1290 0.0000 1 536 47 49 TYR CB C 36.9500 0.0000 1 537 47 49 TYR CD2 C 130.2480 0.0000 3 538 47 49 TYR CE2 C 119.8170 0.0000 3 539 47 49 TYR N N 125.4550 0.0000 1 540 48 50 ALA H H 8.8210 0.0000 1 541 48 50 ALA HA H 4.4240 0.0000 1 542 48 50 ALA HB H 1.5530 0.0000 1 543 48 50 ALA C C 178.2960 0.0000 1 544 48 50 ALA CA C 54.3340 0.0000 1 545 48 50 ALA CB C 19.5640 0.0000 1 546 48 50 ALA N N 119.8090 0.0000 1 547 49 51 ASP H H 7.8610 0.0000 1 548 49 51 ASP HA H 5.0300 0.0000 1 549 49 51 ASP HB2 H 3.0750 0.0000 1 550 49 51 ASP HB3 H 2.9410 0.0000 1 551 49 51 ASP C C 175.7380 0.0000 1 552 49 51 ASP CA C 54.9140 0.0000 1 553 49 51 ASP CB C 41.5860 0.0000 1 554 49 51 ASP N N 116.1320 0.0000 1 555 50 52 ILE H H 7.6520 0.0000 1 556 50 52 ILE HA H 3.8270 0.0000 1 557 50 52 ILE HB H 2.0590 0.0000 1 558 50 52 ILE HG12 H 1.9050 0.0000 2 559 50 52 ILE HG13 H 0.5430 0.0000 2 560 50 52 ILE HG2 H 0.7600 0.0000 1 561 50 52 ILE HD1 H 0.9750 0.0000 1 562 50 52 ILE C C 172.9210 0.0000 1 563 50 52 ILE CA C 61.8680 0.0000 1 564 50 52 ILE CB C 39.2680 0.0000 1 565 50 52 ILE CG1 C 27.0980 0.0000 1 566 50 52 ILE CG2 C 18.4060 0.0000 1 567 50 52 ILE CD1 C 15.5080 0.0000 1 568 50 52 ILE N N 125.2730 0.0000 1 569 51 53 LYS H H 9.1440 0.0000 1 570 51 53 LYS HA H 3.6640 0.0000 1 571 51 53 LYS HB2 H 1.2770 0.0000 1 572 51 53 LYS HB3 H 0.8160 0.0000 1 573 51 53 LYS HG2 H 1.3450 0.0000 2 574 51 53 LYS HG3 H 1.1410 0.0000 2 575 51 53 LYS HD2 H 1.6940 0.0000 2 576 51 53 LYS HD3 H 1.5470 0.0000 2 577 51 53 LYS HE2 H 2.9630 0.0000 2 578 51 53 LYS C C 176.6580 0.0000 1 579 51 53 LYS CA C 58.3910 0.0000 1 580 51 53 LYS CB C 34.0520 0.0000 1 581 51 53 LYS CG C 24.7800 0.0000 1 582 51 53 LYS CD C 29.4160 0.0000 1 583 51 53 LYS CE C 41.5860 0.0000 1 584 51 53 LYS N N 129.1960 0.0000 1 585 52 54 CYS H H 7.8080 0.0000 1 586 52 54 CYS HA H 4.7390 0.0000 1 587 52 54 CYS HB2 H 3.2030 0.0000 2 588 52 54 CYS C C 170.0130 0.0000 1 589 52 54 CYS CA C 55.4930 0.0000 1 590 52 54 CYS CB C 29.9960 0.0000 1 591 52 54 CYS N N 110.9760 0.0000 1 592 53 55 GLN H H 8.4120 0.0000 1 593 53 55 GLN HA H 5.7940 0.0000 1 594 53 55 GLN HB2 H 2.2980 0.0000 1 595 53 55 GLN HB3 H 1.6030 0.0000 1 596 53 55 GLN HG2 H 2.2700 0.0000 2 597 53 55 GLN HG3 H 2.1480 0.0000 2 598 53 55 GLN HE21 H 6.9770 0.0000 2 599 53 55 GLN HE22 H 6.5950 0.0000 2 600 53 55 GLN C C 174.5450 0.0000 1 601 53 55 GLN CA C 52.5960 0.0000 1 602 53 55 GLN CB C 31.7340 0.0000 1 603 53 55 GLN CG C 31.7340 0.0000 1 604 53 55 GLN N N 116.5880 0.0000 1 605 53 55 GLN NE2 N 104.6090 0.0000 1 606 54 56 LYS H H 9.3550 0.0000 1 607 54 56 LYS HA H 5.2850 0.0000 1 608 54 56 LYS HB2 H 1.8470 0.0000 1 609 54 56 LYS HB3 H 1.4610 0.0000 1 610 54 56 LYS HG2 H 1.2020 0.0000 2 611 54 56 LYS HG3 H 1.1670 0.0000 2 612 54 56 LYS HD2 H 1.5330 0.0000 2 613 54 56 LYS HD3 H 1.3460 0.0000 2 614 54 56 LYS HE2 H 2.7510 0.0000 2 615 54 56 LYS HE3 H 2.6040 0.0000 2 616 54 56 LYS C C 175.1410 0.0000 1 617 54 56 LYS CA C 54.3340 0.0000 1 618 54 56 LYS CB C 37.5290 0.0000 1 619 54 56 LYS CG C 25.9390 0.0000 1 620 54 56 LYS CD C 29.4160 0.0000 1 621 54 56 LYS CE C 42.1650 0.0000 1 622 54 56 LYS N N 119.6320 0.0000 1 623 55 57 ILE H H 9.1470 0.0000 1 624 55 57 ILE HA H 5.5370 0.0000 1 625 55 57 ILE HB H 2.1630 0.0000 1 626 55 57 ILE HG12 H 1.4870 0.0000 2 627 55 57 ILE HG13 H 1.0770 0.0000 2 628 55 57 ILE HG2 H 0.9400 0.0000 1 629 55 57 ILE HD1 H 0.8440 0.0000 1 630 55 57 ILE C C 175.5480 0.0000 1 631 55 57 ILE CA C 59.5500 0.0000 1 632 55 57 ILE CB C 42.1650 0.0000 1 633 55 57 ILE CG1 C 24.7800 0.0000 1 634 55 57 ILE CG2 C 18.4060 0.0000 1 635 55 57 ILE CD1 C 13.7700 0.0000 1 636 55 57 ILE N N 113.2460 0.0000 1 637 56 58 SER H H 7.9130 0.0000 1 638 56 58 SER HA H 4.3280 0.0000 1 639 56 58 SER HB2 H 3.4330 0.0000 1 640 56 58 SER HB3 H 3.8910 0.0000 1 641 56 58 SER C C 172.7760 0.0000 1 642 56 58 SER CA C 56.0730 0.0000 1 643 56 58 SER CB C 61.8680 0.0000 1 644 56 58 SER N N 119.8070 0.0000 1 645 57 59 PRO HA H 4.5250 0.0000 1 646 57 59 PRO HB2 H 1.9820 0.0000 2 647 57 59 PRO HB3 H 2.3320 0.0000 2 648 57 59 PRO HG2 H 1.9250 0.0000 2 649 57 59 PRO HG3 H 1.7970 0.0000 2 650 57 59 PRO HD2 H 3.5580 0.0000 2 651 57 59 PRO HD3 H 3.1990 0.0000 2 652 57 59 PRO C C 177.3530 0.0000 1 653 57 59 PRO CA C 62.4470 0.0000 1 654 57 59 PRO CB C 32.8930 0.0000 1 655 57 59 PRO CG C 27.6780 0.0000 1 656 57 59 PRO CD C 50.8570 0.0000 1 657 58 60 GLU H H 8.8920 0.0000 1 658 58 60 GLU HA H 4.1040 0.0000 1 659 58 60 GLU HB2 H 2.0510 0.0000 2 660 58 60 GLU HB3 H 1.9720 0.0000 2 661 58 60 GLU HG2 H 2.2930 0.0000 2 662 58 60 GLU C C 177.3000 0.0000 1 663 58 60 GLU CA C 58.3910 0.0000 1 664 58 60 GLU CB C 29.4160 0.0000 1 665 58 60 GLU CG C 35.7910 0.0000 1 666 58 60 GLU N N 124.6380 0.0000 1 667 59 61 GLY H H 8.6590 0.0000 1 668 59 61 GLY HA2 H 4.2400 0.0000 2 669 59 61 GLY HA3 H 3.7100 0.0000 2 670 59 61 GLY C C 174.5650 0.0000 1 671 59 61 GLY CA C 45.0620 0.0000 1 672 59 61 GLY N N 112.5980 0.0000 1 673 60 62 LYS H H 7.2110 0.0000 1 674 60 62 LYS HA H 4.4590 0.0000 1 675 60 62 LYS HB2 H 1.9050 0.0000 1 676 60 62 LYS HB3 H 1.7750 0.0000 1 677 60 62 LYS HG2 H 1.4160 0.0000 2 678 60 62 LYS HG3 H 1.3700 0.0000 2 679 60 62 LYS HD2 H 1.6120 0.0000 2 680 60 62 LYS HD3 H 1.5760 0.0000 2 681 60 62 LYS HE2 H 2.8740 0.0000 2 682 60 62 LYS C C 176.8740 0.0000 1 683 60 62 LYS CA C 54.3340 0.0000 1 684 60 62 LYS CB C 31.7340 0.0000 1 685 60 62 LYS CG C 24.7800 0.0000 1 686 60 62 LYS CD C 27.6780 0.0000 1 687 60 62 LYS CE C 41.5860 0.0000 1 688 60 62 LYS N N 120.5250 0.0000 1 689 61 63 ALA H H 8.6220 0.0000 1 690 61 63 ALA HA H 4.0410 0.0000 1 691 61 63 ALA HB H 1.4240 0.0000 1 692 61 63 ALA C C 177.9760 0.0000 1 693 61 63 ALA CA C 54.3340 0.0000 1 694 61 63 ALA CB C 18.9850 0.0000 1 695 61 63 ALA N N 127.5670 0.0000 1 696 62 64 LYS H H 7.6540 0.0000 1 697 62 64 LYS HA H 4.2670 0.0000 1 698 62 64 LYS HB2 H 1.5300 0.0000 2 699 62 64 LYS HB3 H 1.0770 0.0000 2 700 62 64 LYS HG2 H 0.9700 0.0000 2 701 62 64 LYS HG3 H 0.7580 0.0000 2 702 62 64 LYS HD2 H 1.2140 0.0000 2 703 62 64 LYS HD3 H 1.1140 0.0000 2 704 62 64 LYS HE2 H 2.5250 0.0000 2 705 62 64 LYS HE3 H 2.4900 0.0000 2 706 62 64 LYS C C 174.7730 0.0000 1 707 62 64 LYS CA C 55.4930 0.0000 1 708 62 64 LYS CB C 32.8930 0.0000 1 709 62 64 LYS CG C 24.7800 0.0000 1 710 62 64 LYS CD C 29.4160 0.0000 1 711 62 64 LYS CE C 41.0060 0.0000 1 712 62 64 LYS N N 117.4770 0.0000 1 713 63 65 ILE H H 9.0300 0.0000 1 714 63 65 ILE HA H 3.9740 0.0000 1 715 63 65 ILE HB H 2.5670 0.0000 1 716 63 65 ILE HG12 H 1.7510 0.0000 2 717 63 65 ILE HG13 H 1.4490 0.0000 2 718 63 65 ILE HG2 H 0.7750 0.0000 1 719 63 65 ILE HD1 H 0.8040 0.0000 1 720 63 65 ILE C C 176.5610 0.0000 1 721 63 65 ILE CA C 60.1290 0.0000 1 722 63 65 ILE CB C 35.2110 0.0000 1 723 63 65 ILE CG1 C 26.5190 0.0000 1 724 63 65 ILE CG2 C 17.8260 0.0000 1 725 63 65 ILE CD1 C 10.8720 0.0000 1 726 63 65 ILE N N 128.4410 0.0000 1 727 64 66 GLN H H 9.0410 0.0000 1 728 64 66 GLN HA H 6.4420 0.0000 1 729 64 66 GLN HB2 H 2.6320 0.0000 1 730 64 66 GLN HB3 H 2.0700 0.0000 1 731 64 66 GLN HG2 H 2.1970 0.0000 2 732 64 66 GLN HG3 H 2.0120 0.0000 2 733 64 66 GLN HE21 H 7.4890 0.0000 2 734 64 66 GLN HE22 H 6.8990 0.0000 2 735 64 66 GLN C C 175.4870 0.0000 1 736 64 66 GLN CA C 54.9140 0.0000 1 737 64 66 GLN CB C 38.1090 0.0000 1 738 64 66 GLN CG C 35.7910 0.0000 1 739 64 66 GLN N N 126.0570 0.0000 1 740 64 66 GLN NE2 N 112.4310 0.0000 1 741 65 67 LEU H H 9.4130 0.0000 1 742 65 67 LEU HA H 5.3840 0.0000 1 743 65 67 LEU HB2 H 2.1150 0.0000 1 744 65 67 LEU HB3 H 1.7960 0.0000 1 745 65 67 LEU HG H 2.0180 0.0000 1 746 65 67 LEU HD1 H 1.1970 0.0000 1 747 65 67 LEU HD2 H 1.0470 0.0000 1 748 65 67 LEU C C 172.4590 0.0000 1 749 65 67 LEU CA C 55.4930 0.0000 1 750 65 67 LEU CB C 50.2780 0.0000 1 751 65 67 LEU CG C 27.6780 0.0000 1 752 65 67 LEU CD1 C 25.9390 0.0000 1 753 65 67 LEU CD2 C 25.9390 0.0000 1 754 65 67 LEU N N 127.0080 0.0000 1 755 66 68 GLN H H 9.6690 0.0000 1 756 66 68 GLN HA H 5.1750 0.0000 1 757 66 68 GLN HB2 H 0.3560 0.0000 1 758 66 68 GLN HB3 H 0.8630 0.0000 1 759 66 68 GLN HG2 H 1.8410 0.0000 2 760 66 68 GLN HG3 H 1.0200 0.0000 2 761 66 68 GLN HE22 H 7.0830 0.0000 2 762 66 68 GLN C C 174.5890 0.0000 1 763 66 68 GLN CA C 53.7550 0.0000 1 764 66 68 GLN CB C 33.4730 0.0000 1 765 66 68 GLN CG C 35.2110 0.0000 1 766 66 68 GLN N N 107.5970 0.0000 1 767 66 68 GLN NE2 N 107.6010 0.0000 1 768 67 69 LEU H H 8.9110 0.0000 1 769 67 69 LEU HA H 4.8540 0.0000 1 770 67 69 LEU HB2 H 1.0880 0.0000 1 771 67 69 LEU HB3 H 1.7150 0.0000 1 772 67 69 LEU HG H 1.8610 0.0000 1 773 67 69 LEU HD1 H 1.1520 0.0000 1 774 67 69 LEU HD2 H 1.0000 0.0000 1 775 67 69 LEU C C 174.9290 0.0000 1 776 67 69 LEU CA C 52.5960 0.0000 1 777 67 69 LEU CB C 43.3240 0.0000 1 778 67 69 LEU CG C 26.5190 0.0000 1 779 67 69 LEU CD1 C 27.6780 0.0000 1 780 67 69 LEU CD2 C 23.6210 0.0000 1 781 67 69 LEU N N 124.8280 0.0000 1 782 68 70 VAL H H 8.3160 0.0000 1 783 68 70 VAL HA H 4.2290 0.0000 1 784 68 70 VAL HB H 2.1590 0.0000 1 785 68 70 VAL HG1 H 0.7450 0.0000 1 786 68 70 VAL HG2 H 0.5670 0.0000 1 787 68 70 VAL C C 175.6950 0.0000 1 788 68 70 VAL CA C 61.2880 0.0000 1 789 68 70 VAL CB C 32.3140 0.0000 1 790 68 70 VAL CG1 C 20.7230 0.0000 1 791 68 70 VAL CG2 C 21.3030 0.0000 1 792 68 70 VAL N N 123.4630 0.0000 1 793 69 71 LEU H H 8.7270 0.0000 1 794 69 71 LEU HA H 4.6590 0.0000 1 795 69 71 LEU HB2 H 1.9030 0.0000 1 796 69 71 LEU HB3 H 1.7940 0.0000 1 797 69 71 LEU HG H 1.4410 0.0000 1 798 69 71 LEU HD1 H 0.4760 0.0000 1 799 69 71 LEU HD2 H 0.1790 0.0000 1 800 69 71 LEU C C 179.1640 0.0000 1 801 69 71 LEU CA C 54.3340 0.0000 1 802 69 71 LEU CB C 39.8470 0.0000 1 803 69 71 LEU CG C 27.6780 0.0000 1 804 69 71 LEU CD1 C 24.7800 0.0000 1 805 69 71 LEU CD2 C 22.4620 0.0000 1 806 69 71 LEU N N 129.0450 0.0000 1 807 70 72 HIS H H 8.1570 0.0000 1 808 70 72 HIS HA H 4.2440 0.0000 1 809 70 72 HIS HB2 H 3.0910 0.0000 2 810 70 72 HIS HB3 H 3.0120 0.0000 2 811 70 72 HIS HD2 H 7.0040 0.0000 1 812 70 72 HIS HE1 H 7.8870 0.0000 1 813 70 72 HIS C C 177.6270 0.0000 1 814 70 72 HIS CA C 60.7090 0.0000 1 815 70 72 HIS CB C 30.5750 0.0000 1 816 70 72 HIS CD2 C 118.0780 0.0000 1 817 70 72 HIS N N 123.0500 0.0000 1 818 71 73 ALA H H 8.4810 0.0000 1 819 71 73 ALA HA H 4.3220 0.0000 1 820 71 73 ALA HB H 1.5190 0.0000 1 821 71 73 ALA C C 178.1570 0.0000 1 822 71 73 ALA CA C 53.1750 0.0000 1 823 71 73 ALA CB C 18.9850 0.0000 1 824 71 73 ALA N N 118.9360 0.0000 1 825 72 74 GLY H H 7.6830 0.0000 1 826 72 74 GLY HA2 H 4.4730 0.0000 2 827 72 74 GLY HA3 H 3.5560 0.0000 2 828 72 74 GLY C C 173.7310 0.0000 1 829 72 74 GLY CA C 45.0620 0.0000 1 830 72 74 GLY N N 106.0860 0.0000 1 831 73 75 ASP H H 7.7730 0.0000 1 832 73 75 ASP HA H 4.6310 0.0000 1 833 73 75 ASP HB2 H 2.6890 0.0000 2 834 73 75 ASP HB3 H 2.4680 0.0000 2 835 73 75 ASP C C 173.8210 0.0000 1 836 73 75 ASP CA C 53.7550 0.0000 1 837 73 75 ASP CB C 41.5860 0.0000 1 838 73 75 ASP N N 119.5340 0.0000 1 839 74 76 THR H H 8.0240 0.0000 1 840 74 76 THR HA H 5.2550 0.0000 1 841 74 76 THR HB H 3.7520 0.0000 1 842 74 76 THR HG2 H 0.9690 0.0000 1 843 74 76 THR C C 174.4370 0.0000 1 844 74 76 THR CA C 58.9700 0.0000 1 845 74 76 THR CB C 72.2990 0.0000 1 846 74 76 THR CG2 C 21.8830 0.0000 1 847 74 76 THR N N 109.6620 0.0000 1 848 75 77 THR H H 8.3350 0.0000 1 849 75 77 THR HA H 4.1830 0.0000 1 850 75 77 THR HB H 3.4980 0.0000 1 851 75 77 THR HG2 H 0.4870 0.0000 1 852 75 77 THR C C 171.7720 0.0000 1 853 75 77 THR CA C 61.2880 0.0000 1 854 75 77 THR CB C 71.1400 0.0000 1 855 75 77 THR CG2 C 24.2010 0.0000 1 856 75 77 THR N N 119.3940 0.0000 1 857 76 78 ASN H H 8.5830 0.0000 1 858 76 78 ASN HA H 5.1900 0.0000 1 859 76 78 ASN HB2 H 2.6140 0.0000 1 860 76 78 ASN HB3 H 2.7340 0.0000 1 861 76 78 ASN HD21 H 7.2610 0.0000 2 862 76 78 ASN HD22 H 6.8080 0.0000 2 863 76 78 ASN C C 174.1920 0.0000 1 864 76 78 ASN CA C 51.4370 0.0000 1 865 76 78 ASN CB C 39.2680 0.0000 1 866 76 78 ASN N N 126.1660 0.0000 1 867 76 78 ASN ND2 N 110.8430 0.0000 1 868 77 79 PHE H H 9.3860 0.0000 1 869 77 79 PHE HA H 5.0910 0.0000 1 870 77 79 PHE HB2 H 2.6340 0.0000 1 871 77 79 PHE HB3 H 2.8770 0.0000 1 872 77 79 PHE HD1 H 6.8190 0.0000 3 873 77 79 PHE HE1 H 6.7270 0.0000 3 874 77 79 PHE HZ H 6.7860 0.0000 1 875 77 79 PHE C C 174.0540 0.0000 1 876 77 79 PHE CA C 56.6520 0.0000 1 877 77 79 PHE CB C 42.1650 0.0000 1 878 77 79 PHE CD1 C 131.4070 0.0000 3 879 77 79 PHE CE1 C 130.8270 0.0000 3 880 77 79 PHE CZ C 128.5090 0.0000 1 881 77 79 PHE N N 121.9770 0.0000 1 882 78 80 HIS H H 9.0910 0.0000 1 883 78 80 HIS HA H 5.5630 0.0000 1 884 78 80 HIS HB2 H 3.2040 0.0000 1 885 78 80 HIS HB3 H 3.1370 0.0000 1 886 78 80 HIS HD2 H 7.2050 0.0000 1 887 78 80 HIS HE1 H 6.4440 0.0000 1 888 78 80 HIS C C 174.3270 0.0000 1 889 78 80 HIS CA C 52.5960 0.0000 1 890 78 80 HIS CB C 33.4730 0.0000 1 891 78 80 HIS CD2 C 116.3400 0.0000 1 892 78 80 HIS CE1 C 129.0890 0.0000 1 893 78 80 HIS N N 124.1770 0.0000 1 894 79 81 PHE H H 9.2380 0.0000 1 895 79 81 PHE HA H 4.3540 0.0000 1 896 79 81 PHE HB2 H 3.3230 0.0000 1 897 79 81 PHE HB3 H 3.0720 0.0000 1 898 79 81 PHE HD2 H 7.5500 0.0000 3 899 79 81 PHE HE2 H 7.2500 0.0000 3 900 79 81 PHE HZ H 6.9420 0.0000 1 901 79 81 PHE C C 172.9260 0.0000 1 902 79 81 PHE CA C 58.9700 0.0000 1 903 79 81 PHE CB C 37.5290 0.0000 1 904 79 81 PHE CD2 C 133.1450 0.0000 3 905 79 81 PHE CE2 C 130.2480 0.0000 3 906 79 81 PHE CZ C 127.3500 0.0000 1 907 79 81 PHE N N 132.6560 0.0000 1 908 80 82 SER H H 7.8830 0.0000 1 909 80 82 SER HA H 4.0700 0.0000 1 910 80 82 SER HB2 H 2.7950 0.0000 1 911 80 82 SER HB3 H 3.8940 0.0000 1 912 80 82 SER C C 174.7340 0.0000 1 913 80 82 SER CA C 58.9700 0.0000 1 914 80 82 SER CB C 65.3450 0.0000 1 915 80 82 SER N N 121.2840 0.0000 1 916 81 83 ASN H H 9.1810 0.0000 1 917 81 83 ASN HA H 4.7770 0.0000 1 918 81 83 ASN HB2 H 3.2720 0.0000 1 919 81 83 ASN HB3 H 2.6700 0.0000 1 920 81 83 ASN HD21 H 8.4010 0.0000 2 921 81 83 ASN HD22 H 6.8670 0.0000 2 922 81 83 ASN C C 175.2750 0.0000 1 923 81 83 ASN CA C 53.7550 0.0000 1 924 81 83 ASN CB C 38.6880 0.0000 1 925 81 83 ASN N N 125.7540 0.0000 1 926 81 83 ASN ND2 N 117.2780 0.0000 1 927 82 84 GLU H H 8.7600 0.0000 1 928 82 84 GLU HA H 4.0450 0.0000 1 929 82 84 GLU HB2 H 2.1820 0.0000 2 930 82 84 GLU HG2 H 2.5010 0.0000 2 931 82 84 GLU HG3 H 2.4330 0.0000 2 932 82 84 GLU C C 178.2000 0.0000 1 933 82 84 GLU CA C 60.1290 0.0000 1 934 82 84 GLU CB C 29.9960 0.0000 1 935 82 84 GLU CG C 36.3700 0.0000 1 936 82 84 GLU N N 127.6470 0.0000 1 937 83 85 SER H H 8.6570 0.0000 1 938 83 85 SER HA H 4.4490 0.0000 1 939 83 85 SER HB2 H 4.0230 0.0000 2 940 83 85 SER C C 176.2400 0.0000 1 941 83 85 SER CA C 60.7090 0.0000 1 942 83 85 SER CB C 63.6060 0.0000 1 943 83 85 SER N N 113.2260 0.0000 1 944 84 86 THR H H 7.3790 0.0000 1 945 84 86 THR HA H 4.6880 0.0000 1 946 84 86 THR HB H 4.6110 0.0000 1 947 84 86 THR HG2 H 1.1320 0.0000 1 948 84 86 THR C C 174.9740 0.0000 1 949 84 86 THR CA C 61.8680 0.0000 1 950 84 86 THR CB C 69.4010 0.0000 1 951 84 86 THR CG2 C 21.8830 0.0000 1 952 84 86 THR N N 109.8770 0.0000 1 953 85 87 ALA H H 7.6590 0.0000 1 954 85 87 ALA HA H 4.2410 0.0000 1 955 85 87 ALA HB H 1.5500 0.0000 1 956 85 87 ALA C C 178.8470 0.0000 1 957 85 87 ALA CA C 56.6520 0.0000 1 958 85 87 ALA CB C 20.1440 0.0000 1 959 85 87 ALA N N 126.4850 0.0000 1 960 86 88 VAL H H 8.3000 0.0000 1 961 86 88 VAL HA H 3.4490 0.0000 1 962 86 88 VAL HB H 1.9940 0.0000 1 963 86 88 VAL HG1 H 0.9360 0.0000 1 964 86 88 VAL HG2 H 1.0930 0.0000 1 965 86 88 VAL C C 177.5120 0.0000 1 966 86 88 VAL CA C 67.0830 0.0000 1 967 86 88 VAL CB C 31.7340 0.0000 1 968 86 88 VAL CG1 C 21.3030 0.0000 1 969 86 88 VAL CG2 C 23.6210 0.0000 1 970 86 88 VAL N N 116.5470 0.0000 1 971 87 89 LYS H H 7.5560 0.0000 1 972 87 89 LYS HA H 4.1230 0.0000 1 973 87 89 LYS HB2 H 1.9480 0.0000 2 974 87 89 LYS HB3 H 1.8850 0.0000 2 975 87 89 LYS HG2 H 1.5780 0.0000 2 976 87 89 LYS HG3 H 1.5020 0.0000 2 977 87 89 LYS HD2 H 1.7470 0.0000 2 978 87 89 LYS HE2 H 3.0410 0.0000 2 979 87 89 LYS C C 180.4460 0.0000 1 980 87 89 LYS CA C 58.9700 0.0000 1 981 87 89 LYS CB C 31.7330 0.0000 1 982 87 89 LYS CG C 24.7800 0.0000 1 983 87 89 LYS CD C 28.8370 0.0000 1 984 87 89 LYS CE C 42.1650 0.0000 1 985 87 89 LYS N N 120.7280 0.0000 1 986 88 90 GLU H H 8.4830 0.0000 1 987 88 90 GLU HA H 4.0100 0.0000 1 988 88 90 GLU HB2 H 2.0080 0.0000 1 989 88 90 GLU HB3 H 2.4450 0.0000 1 990 88 90 GLU HG2 H 2.6230 0.0000 2 991 88 90 GLU HG3 H 2.3230 0.0000 2 992 88 90 GLU C C 177.5400 0.0000 1 993 88 90 GLU CA C 58.9700 0.0000 1 994 88 90 GLU CB C 29.9960 0.0000 1 995 88 90 GLU CG C 36.9500 0.0000 1 996 88 90 GLU N N 122.1760 0.0000 1 997 89 91 ARG H H 8.3200 0.0000 1 998 89 91 ARG HA H 2.7470 0.0000 1 999 89 91 ARG HB2 H 1.6890 0.0000 1 1000 89 91 ARG HB3 H 0.7280 0.0000 1 1001 89 91 ARG HG2 H 1.4650 0.0000 2 1002 89 91 ARG HG3 H 1.2880 0.0000 2 1003 89 91 ARG HD2 H 3.2720 0.0000 2 1004 89 91 ARG HD3 H 2.9910 0.0000 2 1005 89 91 ARG C C 179.1880 0.0000 1 1006 89 91 ARG CA C 59.5500 0.0000 1 1007 89 91 ARG CB C 27.6780 0.0000 1 1008 89 91 ARG CG C 27.6780 0.0000 1 1009 89 91 ARG CD C 42.1650 0.0000 1 1010 89 91 ARG N N 121.4380 0.0000 1 1011 90 92 ASP H H 8.4060 0.0000 1 1012 90 92 ASP HA H 4.3380 0.0000 1 1013 90 92 ASP HB2 H 2.7820 0.0000 1 1014 90 92 ASP HB3 H 2.6690 0.0000 1 1015 90 92 ASP C C 177.2630 0.0000 1 1016 90 92 ASP CA C 57.2320 0.0000 1 1017 90 92 ASP CB C 39.2680 0.0000 1 1018 90 92 ASP N N 120.8170 0.0000 1 1019 91 93 ALA H H 7.8270 0.0000 1 1020 91 93 ALA HA H 4.2110 0.0000 1 1021 91 93 ALA HB H 1.5600 0.0000 1 1022 91 93 ALA C C 181.0630 0.0000 1 1023 91 93 ALA CA C 54.9140 0.0000 1 1024 91 93 ALA CB C 17.8260 0.0000 1 1025 91 93 ALA N N 124.1610 0.0000 1 1026 92 94 VAL H H 7.9230 0.0000 1 1027 92 94 VAL HA H 3.4630 0.0000 1 1028 92 94 VAL HB H 2.3050 0.0000 1 1029 92 94 VAL HG1 H 1.0700 0.0000 1 1030 92 94 VAL HG2 H 1.2070 0.0000 1 1031 92 94 VAL C C 176.5530 0.0000 1 1032 92 94 VAL CA C 67.0830 0.0000 1 1033 92 94 VAL CB C 31.7340 0.0000 1 1034 92 94 VAL CG1 C 22.4620 0.0000 1 1035 92 94 VAL CG2 C 24.2010 0.0000 1 1036 92 94 VAL N N 120.6910 0.0000 1 1037 93 95 LYS H H 8.7030 0.0000 1 1038 93 95 LYS HA H 4.8690 0.0000 1 1039 93 95 LYS HB2 H 1.9960 0.0000 1 1040 93 95 LYS HB3 H 1.7730 0.0000 1 1041 93 95 LYS HG2 H 1.5200 0.0000 2 1042 93 95 LYS HG3 H 1.4360 0.0000 2 1043 93 95 LYS HD2 H 1.7340 0.0000 2 1044 93 95 LYS HD3 H 1.5210 0.0000 2 1045 93 95 LYS HE2 H 2.9620 0.0000 2 1046 93 95 LYS HE3 H 2.9230 0.0000 2 1047 93 95 LYS C C 179.7750 0.0000 1 1048 93 95 LYS CA C 57.8110 0.0000 1 1049 93 95 LYS CB C 31.7340 0.0000 1 1050 93 95 LYS CG C 23.6210 0.0000 1 1051 93 95 LYS CD C 29.4160 0.0000 1 1052 93 95 LYS CE C 41.5860 0.0000 1 1053 93 95 LYS N N 122.4810 0.0000 1 1054 94 96 ASP H H 8.7110 0.0000 1 1055 94 96 ASP HA H 4.4350 0.0000 1 1056 94 96 ASP HB2 H 2.8120 0.0000 1 1057 94 96 ASP HB3 H 2.6160 0.0000 1 1058 94 96 ASP C C 179.4240 0.0000 1 1059 94 96 ASP CA C 57.2320 0.0000 1 1060 94 96 ASP CB C 40.4270 0.0000 1 1061 94 96 ASP N N 121.5020 0.0000 1 1062 95 97 LEU H H 7.6610 0.0000 1 1063 95 97 LEU HA H 4.2240 0.0000 1 1064 95 97 LEU HB2 H 1.8260 0.0000 2 1065 95 97 LEU HB3 H 1.5350 0.0000 2 1066 95 97 LEU HG H 1.7320 0.0000 1 1067 95 97 LEU HD1 H 0.9330 0.0000 2 1068 95 97 LEU HD2 H 0.9100 0.0000 2 1069 95 97 LEU C C 179.9420 0.0000 1 1070 95 97 LEU CA C 57.8110 0.0000 1 1071 95 97 LEU CB C 41.5860 0.0000 1 1072 95 97 LEU CG C 27.6780 0.0000 1 1073 95 97 LEU CD1 C 25.3600 0.0000 2 1074 95 97 LEU CD2 C 24.7800 0.0000 2 1075 95 97 LEU N N 122.7190 0.0000 1 1076 96 98 LEU H H 8.9900 0.0000 1 1077 96 98 LEU HA H 3.8230 0.0000 1 1078 96 98 LEU HB2 H 1.0730 0.0000 1 1079 96 98 LEU HB3 H 2.2150 0.0000 1 1080 96 98 LEU HG H 1.8320 0.0000 1 1081 96 98 LEU HD1 H 0.8470 0.0000 1 1082 96 98 LEU HD2 H 0.7870 0.0000 1 1083 96 98 LEU C C 178.6920 0.0000 1 1084 96 98 LEU CA C 58.9700 0.0000 1 1085 96 98 LEU CB C 41.0060 0.0000 1 1086 96 98 LEU CG C 27.0980 0.0000 1 1087 96 98 LEU CD1 C 27.0980 0.0000 1 1088 96 98 LEU CD2 C 24.2010 0.0000 1 1089 96 98 LEU N N 120.9140 0.0000 1 1090 97 99 GLN H H 8.3460 0.0000 1 1091 97 99 GLN HA H 4.1400 0.0000 1 1092 97 99 GLN HB2 H 2.2520 0.0000 1 1093 97 99 GLN HB3 H 2.1640 0.0000 1 1094 97 99 GLN HG2 H 2.5600 0.0000 2 1095 97 99 GLN HG3 H 2.3050 0.0000 2 1096 97 99 GLN HE21 H 7.5510 0.0000 2 1097 97 99 GLN HE22 H 7.0720 0.0000 2 1098 97 99 GLN C C 177.5480 0.0000 1 1099 97 99 GLN CA C 58.3910 0.0000 1 1100 97 99 GLN CB C 29.9960 0.0000 1 1101 97 99 GLN CG C 35.2110 0.0000 1 1102 97 99 GLN N N 118.1100 0.0000 1 1103 97 99 GLN NE2 N 113.8960 0.0000 1 1104 98 100 GLN H H 7.2500 0.0000 1 1105 98 100 GLN HA H 4.2850 0.0000 1 1106 98 100 GLN HB2 H 2.2210 0.0000 1 1107 98 100 GLN HB3 H 2.2530 0.0000 1 1108 98 100 GLN HG2 H 2.5790 0.0000 2 1109 98 100 GLN HG3 H 2.4250 0.0000 2 1110 98 100 GLN HE21 H 7.3510 0.0000 2 1111 98 100 GLN HE22 H 6.7550 0.0000 2 1112 98 100 GLN C C 178.0570 0.0000 1 1113 98 100 GLN CA C 57.2320 0.0000 1 1114 98 100 GLN CB C 29.4160 0.0000 1 1115 98 100 GLN CG C 33.4730 0.0000 1 1116 98 100 GLN N N 115.0560 0.0000 1 1117 98 100 GLN NE2 N 113.0860 0.0000 1 1118 99 101 LEU H H 8.1930 0.0000 1 1119 99 101 LEU HA H 4.1900 0.0000 1 1120 99 101 LEU HB2 H 0.8020 0.0000 1 1121 99 101 LEU HB3 H 1.1620 0.0000 1 1122 99 101 LEU HG H 1.6830 0.0000 1 1123 99 101 LEU HD1 H 0.6590 0.0000 1 1124 99 101 LEU HD2 H 0.9360 0.0000 1 1125 99 101 LEU C C 178.2680 0.0000 1 1126 99 101 LEU CA C 57.2320 0.0000 1 1127 99 101 LEU CB C 43.3240 0.0000 1 1128 99 101 LEU CG C 26.5190 0.0000 1 1129 99 101 LEU CD1 C 25.9390 0.0000 1 1130 99 101 LEU CD2 C 22.4620 0.0000 1 1131 99 101 LEU N N 121.7250 0.0000 1 1132 100 102 LEU H H 8.7660 0.0000 1 1133 100 102 LEU HA H 4.0770 0.0000 1 1134 100 102 LEU HB2 H 1.5240 0.0000 1 1135 100 102 LEU HB3 H 2.1210 0.0000 1 1136 100 102 LEU HG H 1.9730 0.0000 1 1137 100 102 LEU HD1 H 0.7900 0.0000 1 1138 100 102 LEU HD2 H 0.9220 0.0000 1 1139 100 102 LEU C C 177.7800 0.0000 1 1140 100 102 LEU CA C 60.7090 0.0000 1 1141 100 102 LEU CB C 38.1090 0.0000 1 1142 100 102 LEU CG C 27.0980 0.0000 1 1143 100 102 LEU CD1 C 24.7800 0.0000 1 1144 100 102 LEU CD2 C 23.6210 0.0000 1 1145 100 102 LEU N N 118.7080 0.0000 1 1146 101 103 PRO HA H 4.3400 0.0000 1 1147 101 103 PRO HB2 H 1.7870 0.0000 2 1148 101 103 PRO HB3 H 2.4010 0.0000 2 1149 101 103 PRO HG2 H 2.1420 0.0000 2 1150 101 103 PRO HG3 H 2.0960 0.0000 2 1151 101 103 PRO HD2 H 3.6640 0.0000 2 1152 101 103 PRO HD3 H 3.4460 0.0000 2 1153 101 103 PRO C C 178.5780 0.0000 1 1154 101 103 PRO CA C 65.9250 0.0000 1 1155 101 103 PRO CB C 31.1550 0.0000 1 1156 101 103 PRO CG C 28.2570 0.0000 1 1157 101 103 PRO CD C 51.4370 0.0000 1 1158 102 104 LYS H H 7.1930 0.0000 1 1159 102 104 LYS HA H 3.9690 0.0000 1 1160 102 104 LYS HB2 H 1.8600 0.0000 2 1161 102 104 LYS HB3 H 1.6460 0.0000 2 1162 102 104 LYS HG2 H 1.4290 0.0000 2 1163 102 104 LYS HG3 H 0.9920 0.0000 2 1164 102 104 LYS HD2 H 1.6600 0.0000 2 1165 102 104 LYS HD3 H 1.6200 0.0000 2 1166 102 104 LYS HE2 H 2.9340 0.0000 2 1167 102 104 LYS C C 177.1870 0.0000 1 1168 102 104 LYS CA C 58.3910 0.0000 1 1169 102 104 LYS CB C 32.3140 0.0000 1 1170 102 104 LYS CG C 24.7800 0.0000 1 1171 102 104 LYS CD C 29.4160 0.0000 1 1172 102 104 LYS CE C 41.5860 0.0000 1 1173 102 104 LYS N N 116.9110 0.0000 1 1174 103 105 PHE H H 7.4170 0.0000 1 1175 103 105 PHE HA H 4.6490 0.0000 1 1176 103 105 PHE HB2 H 3.4970 0.0000 1 1177 103 105 PHE HB3 H 2.4670 0.0000 1 1178 103 105 PHE HD1 H 7.6120 0.0000 3 1179 103 105 PHE HE1 H 7.5710 0.0000 3 1180 103 105 PHE HZ H 7.5690 0.0000 1 1181 103 105 PHE C C 174.5470 0.0000 1 1182 103 105 PHE CA C 57.8110 0.0000 1 1183 103 105 PHE CB C 41.0060 0.0000 1 1184 103 105 PHE CD1 C 133.1450 0.0000 3 1185 103 105 PHE CE1 C 131.4070 0.0000 3 1186 103 105 PHE CZ C 131.4070 0.0000 1 1187 103 105 PHE N N 116.2460 0.0000 1 1188 104 106 LYS H H 7.0590 0.0000 1 1189 104 106 LYS HA H 4.4350 0.0000 1 1190 104 106 LYS HB2 H 1.9250 0.0000 2 1191 104 106 LYS HB3 H 1.8940 0.0000 2 1192 104 106 LYS HG2 H 1.6360 0.0000 2 1193 104 106 LYS HG3 H 1.5930 0.0000 2 1194 104 106 LYS HD2 H 1.8220 0.0000 2 1195 104 106 LYS HE2 H 3.0910 0.0000 2 1196 104 106 LYS C C 176.8080 0.0000 1 1197 104 106 LYS CA C 57.2320 0.0000 1 1198 104 106 LYS CB C 33.4730 0.0000 1 1199 104 106 LYS CG C 24.7800 0.0000 1 1200 104 106 LYS CD C 29.4160 0.0000 1 1201 104 106 LYS CE C 41.5860 0.0000 1 1202 104 106 LYS N N 121.9690 0.0000 1 1203 105 107 ARG H H 8.6120 0.0000 1 1204 105 107 ARG HA H 4.3620 0.0000 1 1205 105 107 ARG HB2 H 1.8340 0.0000 2 1206 105 107 ARG HB3 H 1.7850 0.0000 2 1207 105 107 ARG HG2 H 1.7720 0.0000 2 1208 105 107 ARG HG3 H 1.6970 0.0000 2 1209 105 107 ARG HD2 H 3.1500 0.0000 2 1210 105 107 ARG HD3 H 3.0230 0.0000 2 1211 105 107 ARG C C 176.3090 0.0000 1 1212 105 107 ARG CA C 56.0730 0.0000 1 1213 105 107 ARG CB C 30.5750 0.0000 1 1214 105 107 ARG CG C 27.0980 0.0000 1 1215 105 107 ARG CD C 43.3240 0.0000 1 1216 105 107 ARG N N 125.6930 0.0000 1 1217 106 108 LYS H H 8.4460 0.0000 1 1218 106 108 LYS HA H 4.3650 0.0000 1 1219 106 108 LYS HB2 H 1.8960 0.0000 2 1220 106 108 LYS HB3 H 1.7940 0.0000 2 1221 106 108 LYS HG2 H 1.4820 0.0000 2 1222 106 108 LYS HD2 H 1.7270 0.0000 2 1223 106 108 LYS HE2 H 3.0390 0.0000 2 1224 106 108 LYS C C 176.0210 0.0000 1 1225 106 108 LYS CA C 56.0730 0.0000 1 1226 106 108 LYS CB C 33.4730 0.0000 1 1227 106 108 LYS CG C 24.7800 0.0000 1 1228 106 108 LYS CD C 28.8370 0.0000 1 1229 106 108 LYS CE C 41.5860 0.0000 1 1230 106 108 LYS N N 124.9230 0.0000 1 1231 107 109 ALA H H 8.3640 0.0000 1 1232 107 109 ALA HA H 4.3560 0.0000 1 1233 107 109 ALA HB H 1.3910 0.0000 1 1234 107 109 ALA C C 176.3950 0.0000 1 1235 107 109 ALA CA C 52.5960 0.0000 1 1236 107 109 ALA CB C 19.3760 0.0000 1 1237 107 109 ALA N N 127.2600 0.0000 1 1238 108 110 ASN H H 7.9490 0.0000 1 1239 108 110 ASN HA H 4.4550 0.0000 1 1240 108 110 ASN HB2 H 2.8110 0.0000 2 1241 108 110 ASN HB3 H 2.6780 0.0000 2 1242 108 110 ASN HD21 H 7.4860 0.0000 2 1243 108 110 ASN HD22 H 6.7800 0.0000 2 1244 108 110 ASN C C 179.4200 0.0000 1 1245 108 110 ASN CA C 54.9140 0.0000 1 1246 108 110 ASN CB C 40.4270 0.0000 1 1247 108 110 ASN N N 124.4710 0.0000 1 1248 108 110 ASN ND2 N 113.7410 0.0000 1 stop_ save_