data_17879 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of Atg8-Atg7C30 complex ; _BMRB_accession_number 17879 _BMRB_flat_file_name bmr17879.str _Entry_type original _Submission_date 2011-08-23 _Accession_date 2011-08-23 _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 Kumeta Hiroyuki . . 2 Satoo Kenji . . 3 Noda Nobuo N. . 4 Fujioka Yuko . . 5 Ogura Kenji . . 6 Nakatogawa Hitoshi . . 7 Ohsumi Yoshinori . . 8 Inagaki Fuyuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 949 "13C chemical shifts" 681 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-12-02 original author . stop_ _Original_release_date 2011-12-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis of Atg8 activation and transfer to Atg3 by a homodimeric E1, Atg7' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22055191 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Noda Nobuo N. . 2 Satoo Kenji . . 3 Fujioka Yuko . . 4 Kumeta Hiroyuki . . 5 Ogura Kenji . . 6 Nakatogawa Hitoshi . . 7 Ohsumi Yoshinori . . 8 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation 'Mol. Cell' _Journal_volume 44 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 462 _Page_last 475 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Atg8K26P _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Atg8K26P $Atg8K26P ATG7C30 $ATG7C30 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_Atg8K26P _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Atg8K26P _Molecular_mass 13597.823 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; HMKSTFKSEYPFEKRKAESE RIADRFPNRIPVICEKAEKS DIPEIDKRKYLVPADLTVGQ FVYVIRKRIMLPPEKAIFIF VNDTLPPTAALMSAIYQEHK DKDGFLYVTYSGENTFG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 HIS 2 1 MET 3 2 LYS 4 3 SER 5 4 THR 6 5 PHE 7 6 LYS 8 7 SER 9 8 GLU 10 9 TYR 11 10 PRO 12 11 PHE 13 12 GLU 14 13 LYS 15 14 ARG 16 15 LYS 17 16 ALA 18 17 GLU 19 18 SER 20 19 GLU 21 20 ARG 22 21 ILE 23 22 ALA 24 23 ASP 25 24 ARG 26 25 PHE 27 26 PRO 28 27 ASN 29 28 ARG 30 29 ILE 31 30 PRO 32 31 VAL 33 32 ILE 34 33 CYS 35 34 GLU 36 35 LYS 37 36 ALA 38 37 GLU 39 38 LYS 40 39 SER 41 40 ASP 42 41 ILE 43 42 PRO 44 43 GLU 45 44 ILE 46 45 ASP 47 46 LYS 48 47 ARG 49 48 LYS 50 49 TYR 51 50 LEU 52 51 VAL 53 52 PRO 54 53 ALA 55 54 ASP 56 55 LEU 57 56 THR 58 57 VAL 59 58 GLY 60 59 GLN 61 60 PHE 62 61 VAL 63 62 TYR 64 63 VAL 65 64 ILE 66 65 ARG 67 66 LYS 68 67 ARG 69 68 ILE 70 69 MET 71 70 LEU 72 71 PRO 73 72 PRO 74 73 GLU 75 74 LYS 76 75 ALA 77 76 ILE 78 77 PHE 79 78 ILE 80 79 PHE 81 80 VAL 82 81 ASN 83 82 ASP 84 83 THR 85 84 LEU 86 85 PRO 87 86 PRO 88 87 THR 89 88 ALA 90 89 ALA 91 90 LEU 92 91 MET 93 92 SER 94 93 ALA 95 94 ILE 96 95 TYR 97 96 GLN 98 97 GLU 99 98 HIS 100 99 LYS 101 100 ASP 102 101 LYS 103 102 ASP 104 103 GLY 105 104 PHE 106 105 LEU 107 106 TYR 108 107 VAL 109 108 THR 110 109 TYR 111 110 SER 112 111 GLY 113 112 GLU 114 113 ASN 115 114 THR 116 115 PHE 117 116 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16120 Atg8 99.15 119 99.14 99.14 8.68e-77 BMRB 16835 Atg8_K26P 99.15 116 100.00 100.00 9.60e-78 PDB 2KQ7 "Solution Structure Of The Autophagy-Related Protein Atg8" 99.15 119 99.14 99.14 8.68e-77 PDB 2KWC "The Nmr Structure Of The Autophagy-Related Protein Atg8" 99.15 116 100.00 100.00 9.60e-78 PDB 2LI5 "Nmr Structure Of Atg8-Atg7c30 Complex" 100.00 117 100.00 100.00 5.67e-79 PDB 2ZPN "The Crystal Structure Of Saccharomyces Cerevisiae Atg8- Atg19(412-415) Complex" 100.00 119 99.15 99.15 6.25e-78 PDB 3RUI "Crystal Structure Of Atg7c-atg8 Complex" 99.15 118 99.14 99.14 9.69e-77 PDB 3VH3 "Crystal Structure Of Atg7ctd-Atg8 Complex" 100.00 119 100.00 100.00 8.21e-79 PDB 3VH4 "Crystal Structure Of Atg7ctd-Atg8-Mgatp Complex" 100.00 119 100.00 100.00 8.21e-79 PDB 3VXW "Crystal Structure Of Saccharomyces Cerevisiae Atg8 Complexed With Atg32 Aim" 100.00 119 99.15 99.15 6.25e-78 DBJ GAA21477 "K7_Atg8p [Saccharomyces cerevisiae Kyokai no. 7]" 99.15 117 99.14 99.14 8.89e-77 EMBL CAA56032 "E-117 protein [Saccharomyces cerevisiae]" 99.15 117 99.14 99.14 8.89e-77 EMBL CAA84899 "unnamed protein product [Saccharomyces cerevisiae]" 99.15 117 99.14 99.14 8.89e-77 EMBL CAY77706 "Atg8p [Saccharomyces cerevisiae EC1118]" 99.15 117 99.14 99.14 8.89e-77 GB AAT92889 "YBL078C [Saccharomyces cerevisiae]" 99.15 117 99.14 99.14 8.89e-77 GB AHY74413 "Atg8p [Saccharomyces cerevisiae YJM993]" 99.15 117 99.14 99.14 8.89e-77 GB AJP37015 "Atg8p [Saccharomyces cerevisiae YJM1078]" 99.15 117 99.14 99.14 8.89e-77 GB AJP81917 "Atg8p [Saccharomyces cerevisiae YJM1402]" 99.15 117 99.14 99.14 8.89e-77 GB AJP82297 "Atg8p [Saccharomyces cerevisiae YJM1415]" 99.15 117 99.14 99.14 8.89e-77 REF NP_009475 "ubiquitin-like protein ATG8 [Saccharomyces cerevisiae S288c]" 99.15 117 99.14 99.14 8.89e-77 SP A6ZKM4 "RecName: Full=Autophagy-related protein 8; AltName: Full=Autophagy-related ubiquitin-like modifier ATG8; AltName: Full=Cytoplas" 99.15 117 99.14 99.14 8.89e-77 SP P38182 "RecName: Full=Autophagy-related protein 8; AltName: Full=Autophagy-related ubiquitin-like modifier ATG8; AltName: Full=Cytoplas" 99.15 117 99.14 99.14 8.89e-77 TPG DAA07045 "TPA: ubiquitin-like protein ATG8 [Saccharomyces cerevisiae S288c]" 99.15 117 99.14 99.14 8.89e-77 stop_ save_ save_ATG7C30 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ATG7C30 _Molecular_mass 3848.176 _Mol_thiol_state . _Details . _Residue_count 34 _Mol_residue_sequence ; GPHMISGLSVIKQEVERLGN DVFEWEDDESDEIA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 597 GLY 2 598 PRO 3 599 HIS 4 600 MET 5 601 ILE 6 602 SER 7 603 GLY 8 604 LEU 9 605 SER 10 606 VAL 11 607 ILE 12 608 LYS 13 609 GLN 14 610 GLU 15 611 VAL 16 612 GLU 17 613 ARG 18 614 LEU 19 615 GLY 20 616 ASN 21 617 ASP 22 618 VAL 23 619 PHE 24 620 GLU 25 621 TRP 26 622 GLU 27 623 ASP 28 624 ASP 29 625 GLU 30 626 SER 31 627 ASP 32 628 GLU 33 629 ILE 34 630 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LI5 "Nmr Structure Of Atg8-Atg7c30 Complex" 100.00 34 100.00 100.00 1.16e-14 PDB 3RUI "Crystal Structure Of Atg7c-atg8 Complex" 88.24 340 100.00 100.00 2.00e-10 PDB 3T7E "Atg8 Transfer From Atg7 To Atg3: A Distinctive E1-E2 Architecture And Mechanism In The Autophagy Pathway" 88.24 344 100.00 100.00 5.68e-10 PDB 3VH3 "Crystal Structure Of Atg7ctd-Atg8 Complex" 88.24 340 100.00 100.00 5.83e-10 PDB 3VH4 "Crystal Structure Of Atg7ctd-Atg8-Mgatp Complex" 88.24 340 100.00 100.00 5.83e-10 DBJ BAA33474 "APG7 [Saccharomyces cerevisiae]" 88.24 630 100.00 100.00 1.37e-10 GB AAB68016 "Yhr171wp [Saccharomyces cerevisiae]" 88.24 630 100.00 100.00 1.37e-10 GB EIW10078 "Atg7p [Saccharomyces cerevisiae CEN.PK113-7D]" 88.24 630 100.00 100.00 1.37e-10 GB EWH18191 "Atg7p [Saccharomyces cerevisiae P283]" 88.24 630 100.00 100.00 1.37e-10 REF NP_012041 "Atg7p [Saccharomyces cerevisiae S288c]" 88.24 630 100.00 100.00 1.37e-10 SP P38862 "RecName: Full=Ubiquitin-like modifier-activating enzyme ATG7; AltName: Full=ATG12-activating enzyme E1 ATG7; AltName: Full=Auto" 88.24 630 100.00 100.00 1.37e-10 TPG DAA06864 "TPA: Atg7p [Saccharomyces cerevisiae S288c]" 88.24 630 100.00 100.00 1.37e-10 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Atg8K26P 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae $ATG7C30 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Atg8K26P 'recombinant technology' . Aspergillus niger . pGEX6p $ATG7C30 'recombinant technology' . Escherichia coli . pGEX6p stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_Atg8K26P _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Atg8K26P 0.8 mM '[U-99% 13C; U-99% 15N]' $ATG7C30 2.0 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' DSS 5 ug 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13C_15N_Atg7C30 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Atg8K26P 0.5 mM '[U-99% 13C; U-99% 15N]' $ATG7C30 1.25 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' DSS 5 ug 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 5.2 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' refinement stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version 1.01 loop_ _Vendor _Address _Electronic_address 'Chen, Cornilescu, Delaglio, Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C_15N_Atg8K26P save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $13C_15N_Atg8K26P save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C_15N_Atg8K26P save_ save_3D_1H-13C_NOESY_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $13C_15N_Atg8K26P save_ save_3D_HCCH-TOCSY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aliphatic' _Sample_label $13C_15N_Atg8K26P save_ save_2D_HbCbCgCdHd_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HbCbCgCdHd' _Sample_label $13C_15N_Atg8K26P save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $13C_15N_Atg8K26P save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C_15N_Atg8K26P save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N_Atg8K26P save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $13C_15N_Atg8K26P save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_15N_Atg8K26P save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C_15N_Atg7C30 save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N_Atg7C30 save_ save_3D_HNCACB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_15N_Atg7C30 save_ save_3D_HNCACB_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_15N_Atg7C30 save_ save_3D_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C_15N_Atg7C30 save_ save_3D_C(CO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C_15N_Atg7C30 save_ save_2D_1H-13C_HSQC_aliphatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $13C_15N_Atg7C30 save_ save_3D_1H-13C_NOESY_aliphatic_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $13C_15N_Atg7C30 save_ save_2D_1H-13C_HSQC_aromatic_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $13C_15N_Atg7C30 save_ save_3D_HCCH-TOCSY_aliphatic_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aliphatic' _Sample_label $13C_15N_Atg7C30 save_ save_3D_HCCH-TOCSY_aromatic_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aromatic' _Sample_label $13C_15N_Atg8K26P save_ save_3D_1H-13C_NOESY_aromatic_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $13C_15N_Atg7C30 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' 170 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . 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 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $13C_15N_Atg8K26P $13C_15N_Atg7C30 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Atg8K26P _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 0 1 HIS HA H 4.671 0.000 1 2 0 1 HIS HB2 H 3.127 0.000 2 3 0 1 HIS HB3 H 3.188 0.000 2 4 0 1 HIS HD2 H 7.130 0.000 1 5 0 1 HIS HE1 H 8.182 0.000 1 6 0 1 HIS H H 8.616 0.000 1 7 0 1 HIS C C 174.844 0.000 1 8 0 1 HIS CA C 55.841 0.000 1 9 0 1 HIS CB C 30.002 0.018 1 10 0 1 HIS CD2 C 120.019 0.000 1 11 0 1 HIS CE1 C 137.568 0.000 1 12 0 1 HIS N N 119.515 0.000 1 13 1 2 MET H H 8.425 0.000 1 14 1 2 MET HA H 4.455 0.000 1 15 1 2 MET HB2 H 1.992 0.000 2 16 1 2 MET HB3 H 2.055 0.000 2 17 1 2 MET HG2 H 2.494 0.000 2 18 1 2 MET HG3 H 2.540 0.000 2 19 1 2 MET HE H 2.069 0.000 . 20 1 2 MET C C 175.655 0.000 1 21 1 2 MET CA C 55.438 0.000 1 22 1 2 MET CB C 33.126 0.001 1 23 1 2 MET CG C 31.944 0.001 1 24 1 2 MET CE C 17.180 0.000 1 25 1 2 MET N N 122.410 0.000 1 26 2 3 LYS H H 8.512 0.000 1 27 2 3 LYS HA H 4.326 0.000 1 28 2 3 LYS HB2 H 1.847 0.000 2 29 2 3 LYS HB3 H 1.774 0.000 2 30 2 3 LYS HG2 H 1.430 0.000 2 31 2 3 LYS HG3 H 1.461 0.000 2 32 2 3 LYS HD2 H 1.705 0.000 2 33 2 3 LYS HD3 H 1.705 0.000 2 34 2 3 LYS HE2 H 3.017 0.000 2 35 2 3 LYS HE3 H 3.017 0.000 2 36 2 3 LYS C C 176.266 0.000 1 37 2 3 LYS CA C 56.348 0.000 1 38 2 3 LYS CB C 33.219 0.000 1 39 2 3 LYS CG C 24.711 0.002 1 40 2 3 LYS CD C 29.216 0.000 1 41 2 3 LYS CE C 42.125 0.000 1 42 2 3 LYS N N 123.656 0.000 1 43 3 4 SER H H 8.426 0.000 1 44 3 4 SER HA H 4.631 0.000 1 45 3 4 SER HB2 H 3.883 0.000 2 46 3 4 SER HB3 H 3.729 0.000 2 47 3 4 SER C C 175.421 0.000 1 48 3 4 SER CA C 57.629 0.000 1 49 3 4 SER CB C 64.079 0.004 1 50 3 4 SER N N 118.350 0.000 1 51 4 5 THR H H 9.971 0.000 1 52 4 5 THR HA H 4.482 0.000 1 53 4 5 THR HB H 4.823 0.000 1 54 4 5 THR HG2 H 1.307 0.000 . 55 4 5 THR C C 174.680 0.000 1 56 4 5 THR CA C 62.001 0.000 1 57 4 5 THR CB C 70.137 0.000 1 58 4 5 THR CG2 C 22.189 0.000 1 59 4 5 THR N N 127.775 0.000 1 60 5 6 PHE H H 8.863 0.000 1 61 5 6 PHE HA H 4.125 0.000 1 62 5 6 PHE HB2 H 2.985 0.000 2 63 5 6 PHE HB3 H 3.175 0.000 2 64 5 6 PHE HD1 H 7.364 0.004 3 65 5 6 PHE HD2 H 7.364 0.004 3 66 5 6 PHE HE1 H 6.557 0.000 3 67 5 6 PHE HE2 H 6.557 0.000 3 68 5 6 PHE HZ H 6.383 0.000 1 69 5 6 PHE C C 177.064 0.000 1 70 5 6 PHE CA C 63.041 0.000 1 71 5 6 PHE CB C 40.828 0.008 1 72 5 6 PHE CD1 C 132.232 0.000 3 73 5 6 PHE CE1 C 131.247 0.000 3 74 5 6 PHE CZ C 128.799 0.000 1 75 5 6 PHE N N 123.021 0.000 1 76 6 7 LYS H H 8.661 0.000 1 77 6 7 LYS HA H 3.916 0.000 1 78 6 7 LYS HB2 H 1.692 0.000 2 79 6 7 LYS HB3 H 1.786 0.000 2 80 6 7 LYS HG2 H 1.365 0.000 2 81 6 7 LYS HG3 H 1.703 0.000 2 82 6 7 LYS HD2 H 1.377 0.000 2 83 6 7 LYS HD3 H 1.524 0.000 2 84 6 7 LYS HE2 H 2.086 0.000 2 85 6 7 LYS HE3 H 2.593 0.000 2 86 6 7 LYS C C 177.535 0.000 1 87 6 7 LYS CA C 60.026 0.000 1 88 6 7 LYS CB C 33.611 0.003 1 89 6 7 LYS CG C 26.731 0.015 1 90 6 7 LYS CD C 30.562 0.006 1 91 6 7 LYS CE C 41.700 0.001 1 92 6 7 LYS N N 114.006 0.000 1 93 7 8 SER H H 7.552 0.000 1 94 7 8 SER HA H 4.275 0.000 1 95 7 8 SER HB2 H 3.851 0.000 2 96 7 8 SER HB3 H 3.971 0.000 2 97 7 8 SER C C 175.689 0.000 1 98 7 8 SER CA C 60.007 0.000 1 99 7 8 SER CB C 63.759 0.003 1 100 7 8 SER N N 111.149 0.000 1 101 8 9 GLU H H 7.924 0.000 1 102 8 9 GLU HA H 3.818 0.000 1 103 8 9 GLU HB2 H 1.300 0.000 2 104 8 9 GLU HB3 H 1.703 0.000 2 105 8 9 GLU HG2 H 1.633 0.000 2 106 8 9 GLU HG3 H 1.982 0.000 2 107 8 9 GLU C C 176.068 0.000 1 108 8 9 GLU CA C 58.137 0.000 1 109 8 9 GLU CB C 30.965 0.004 1 110 8 9 GLU CG C 36.287 0.002 1 111 8 9 GLU N N 122.296 0.000 1 112 9 10 TYR H H 7.052 0.000 1 113 9 10 TYR HA H 5.066 0.000 1 114 9 10 TYR HB2 H 2.035 0.000 2 115 9 10 TYR HB3 H 2.546 0.000 2 116 9 10 TYR HD1 H 6.551 0.000 3 117 9 10 TYR HD2 H 6.551 0.000 3 118 9 10 TYR HE1 H 6.730 0.000 3 119 9 10 TYR HE2 H 6.730 0.000 3 120 9 10 TYR CA C 53.958 0.000 1 121 9 10 TYR CB C 41.055 0.047 1 122 9 10 TYR CD2 C 133.697 0.000 3 123 9 10 TYR CE2 C 118.410 0.000 3 124 9 10 TYR N N 115.131 0.000 1 125 10 11 PRO HA H 4.708 0.000 1 126 10 11 PRO HB2 H 2.620 0.000 2 127 10 11 PRO HB3 H 2.160 0.000 2 128 10 11 PRO HG2 H 2.101 0.000 2 129 10 11 PRO HG3 H 2.237 0.000 2 130 10 11 PRO HD2 H 3.699 0.000 2 131 10 11 PRO HD3 H 4.069 0.000 2 132 10 11 PRO C C 177.384 0.000 1 133 10 11 PRO CA C 62.279 0.000 1 134 10 11 PRO CB C 33.087 0.004 1 135 10 11 PRO CG C 27.764 0.003 1 136 10 11 PRO CD C 51.233 0.002 1 137 11 12 PHE H H 9.385 0.000 1 138 11 12 PHE HA H 3.883 0.000 1 139 11 12 PHE HB2 H 3.017 0.000 2 140 11 12 PHE HB3 H 3.466 0.000 2 141 11 12 PHE HD1 H 7.340 0.001 3 142 11 12 PHE HD2 H 7.340 0.001 3 143 11 12 PHE HE1 H 7.255 0.000 3 144 11 12 PHE HE2 H 7.255 0.000 3 145 11 12 PHE HZ H 7.159 0.000 1 146 11 12 PHE C C 176.157 0.000 1 147 11 12 PHE CA C 63.156 0.000 1 148 11 12 PHE CB C 39.935 0.003 1 149 11 12 PHE CD1 C 132.334 0.000 3 150 11 12 PHE CE1 C 131.215 0.000 3 151 11 12 PHE CZ C 129.501 0.000 1 152 11 12 PHE N N 125.307 0.000 1 153 12 13 GLU H H 9.800 0.000 1 154 12 13 GLU HA H 3.857 0.000 1 155 12 13 GLU HB2 H 2.119 0.000 2 156 12 13 GLU HB3 H 2.119 0.000 2 157 12 13 GLU HG2 H 2.494 0.000 2 158 12 13 GLU HG3 H 2.537 0.000 2 159 12 13 GLU C C 179.598 0.000 1 160 12 13 GLU CA C 60.317 0.000 1 161 12 13 GLU CB C 28.642 0.000 1 162 12 13 GLU CG C 36.817 0.000 1 163 12 13 GLU N N 115.356 0.000 1 164 13 14 LYS H H 7.160 0.000 1 165 13 14 LYS HA H 4.246 0.000 1 166 13 14 LYS HB2 H 1.886 0.000 2 167 13 14 LYS HB3 H 1.986 0.000 2 168 13 14 LYS HG2 H 1.509 0.000 2 169 13 14 LYS HG3 H 1.632 0.000 2 170 13 14 LYS HD2 H 1.772 0.000 2 171 13 14 LYS HD3 H 1.772 0.000 2 172 13 14 LYS HE2 H 3.014 0.000 2 173 13 14 LYS HE3 H 3.014 0.000 2 174 13 14 LYS C C 178.804 0.000 1 175 13 14 LYS CA C 58.143 0.000 1 176 13 14 LYS CB C 32.770 0.001 1 177 13 14 LYS CG C 25.383 0.007 1 178 13 14 LYS CD C 29.128 0.000 1 179 13 14 LYS CE C 42.030 0.000 1 180 13 14 LYS N N 118.194 0.000 1 181 14 15 ARG H H 7.686 0.000 1 182 14 15 ARG HA H 3.892 0.000 1 183 14 15 ARG HB2 H 2.078 0.000 2 184 14 15 ARG HB3 H 2.078 0.000 2 185 14 15 ARG C C 176.858 0.000 1 186 14 15 ARG CA C 61.520 0.000 1 187 14 15 ARG CB C 32.840 0.000 1 188 14 15 ARG N N 120.949 0.000 1 189 15 16 LYS H H 8.667 0.000 1 190 15 16 LYS HA H 4.449 0.000 1 191 15 16 LYS HB2 H 0.924 0.000 2 192 15 16 LYS HB3 H 1.530 0.000 2 193 15 16 LYS HG2 H 1.320 0.000 2 194 15 16 LYS HG3 H 1.365 0.000 2 195 15 16 LYS HD2 H 1.617 0.000 2 196 15 16 LYS HD3 H 1.704 0.000 2 197 15 16 LYS HE2 H 3.036 0.000 2 198 15 16 LYS HE3 H 3.092 0.000 2 199 15 16 LYS C C 177.796 0.000 1 200 15 16 LYS CA C 57.366 0.000 1 201 15 16 LYS CB C 32.529 0.002 1 202 15 16 LYS CG C 24.407 0.000 1 203 15 16 LYS CD C 29.409 0.004 1 204 15 16 LYS CE C 42.605 0.005 1 205 15 16 LYS N N 119.224 0.000 1 206 16 17 ALA H H 7.305 0.000 1 207 16 17 ALA HA H 4.164 0.000 1 208 16 17 ALA HB H 1.538 0.000 . 209 16 17 ALA C C 180.641 0.000 1 210 16 17 ALA CA C 54.627 0.000 1 211 16 17 ALA CB C 18.114 0.000 1 212 16 17 ALA N N 117.777 0.000 1 213 17 18 GLU H H 7.849 0.000 1 214 17 18 GLU HA H 4.695 0.000 1 215 17 18 GLU HB2 H 2.244 0.000 2 216 17 18 GLU HB3 H 2.361 0.000 2 217 17 18 GLU HG2 H 2.454 0.000 2 218 17 18 GLU HG3 H 2.454 0.000 2 219 17 18 GLU C C 178.339 0.000 1 220 17 18 GLU CA C 58.173 0.000 1 221 17 18 GLU CB C 28.765 0.013 1 222 17 18 GLU CG C 35.594 0.000 1 223 17 18 GLU N N 119.934 0.000 1 224 18 19 SER H H 8.785 0.000 1 225 18 19 SER HA H 3.542 0.000 1 226 18 19 SER HB2 H 3.020 0.000 2 227 18 19 SER HB3 H 3.297 0.000 2 228 18 19 SER HG H 6.435 0.000 1 229 18 19 SER C C 178.206 0.000 1 230 18 19 SER CA C 62.108 0.000 1 231 18 19 SER CB C 59.839 0.002 1 232 18 19 SER N N 117.685 0.000 1 233 19 20 GLU H H 8.052 0.000 1 234 19 20 GLU HA H 3.988 0.000 1 235 19 20 GLU HB2 H 1.981 0.000 2 236 19 20 GLU HB3 H 2.191 0.000 2 237 19 20 GLU HG2 H 2.201 0.000 2 238 19 20 GLU HG3 H 2.566 0.000 2 239 19 20 GLU C C 178.788 0.000 1 240 19 20 GLU CA C 59.701 0.000 1 241 19 20 GLU CB C 29.318 0.009 1 242 19 20 GLU CG C 36.996 0.004 1 243 19 20 GLU N N 124.346 0.000 1 244 20 21 ARG H H 7.958 0.000 1 245 20 21 ARG HA H 4.093 0.000 1 246 20 21 ARG HB2 H 2.016 0.000 2 247 20 21 ARG HB3 H 2.177 0.000 2 248 20 21 ARG HG2 H 1.415 0.000 2 249 20 21 ARG HG3 H 1.756 0.000 2 250 20 21 ARG HD2 H 3.092 0.000 2 251 20 21 ARG HD3 H 3.432 0.000 2 252 20 21 ARG HE H 8.217 0.000 1 253 20 21 ARG C C 179.458 0.000 1 254 20 21 ARG CA C 59.500 0.000 1 255 20 21 ARG CB C 30.412 0.005 1 256 20 21 ARG CG C 27.530 0.000 1 257 20 21 ARG CD C 43.030 0.012 1 258 20 21 ARG CZ C 160.022 0.000 1 259 20 21 ARG N N 122.089 0.000 1 260 20 21 ARG NE N 83.558 0.000 1 261 21 22 ILE H H 8.277 0.000 1 262 21 22 ILE HA H 3.623 0.000 1 263 21 22 ILE HB H 1.738 0.000 1 264 21 22 ILE HG12 H 1.016 0.000 2 265 21 22 ILE HG13 H 1.752 0.000 2 266 21 22 ILE HG2 H 0.800 0.000 . 267 21 22 ILE HD1 H 0.740 0.000 . 268 21 22 ILE C C 176.842 0.000 1 269 21 22 ILE CA C 65.145 0.000 1 270 21 22 ILE CB C 38.195 0.000 1 271 21 22 ILE CG1 C 29.619 0.000 1 272 21 22 ILE CG2 C 17.801 0.000 1 273 21 22 ILE CD1 C 14.221 0.000 1 274 21 22 ILE N N 119.893 0.000 1 275 22 23 ALA H H 7.962 0.000 1 276 22 23 ALA HA H 4.071 0.000 1 277 22 23 ALA HB H 1.459 0.000 . 278 22 23 ALA C C 179.199 0.000 1 279 22 23 ALA CA C 54.519 0.000 1 280 22 23 ALA CB C 18.001 0.000 1 281 22 23 ALA N N 121.816 0.000 1 282 23 24 ASP H H 7.368 0.000 1 283 23 24 ASP HA H 4.401 0.000 1 284 23 24 ASP HB2 H 2.669 0.000 2 285 23 24 ASP HB3 H 2.717 0.000 2 286 23 24 ASP C C 177.324 0.000 1 287 23 24 ASP CA C 56.248 0.000 1 288 23 24 ASP CB C 42.193 0.000 1 289 23 24 ASP N N 114.866 0.000 1 290 24 25 ARG H H 7.815 0.000 1 291 24 25 ARG HA H 3.922 0.000 1 292 24 25 ARG HB2 H 1.167 0.000 2 293 24 25 ARG HB3 H 1.489 0.000 2 294 24 25 ARG HG2 H 1.122 0.000 2 295 24 25 ARG HG3 H 1.184 0.000 2 296 24 25 ARG HD2 H 2.929 0.000 2 297 24 25 ARG HD3 H 3.009 0.000 2 298 24 25 ARG HE H 7.130 0.000 1 299 24 25 ARG C C 176.266 0.000 1 300 24 25 ARG CA C 57.158 0.000 1 301 24 25 ARG CB C 31.477 0.001 1 302 24 25 ARG CG C 26.849 0.005 1 303 24 25 ARG CD C 42.799 0.001 1 304 24 25 ARG CZ C 159.504 0.000 1 305 24 25 ARG N N 116.868 0.000 1 306 24 25 ARG NE N 84.763 0.000 1 307 25 26 PHE H H 8.658 0.000 1 308 25 26 PHE HA H 5.084 0.000 1 309 25 26 PHE HB2 H 2.727 0.000 2 310 25 26 PHE HB3 H 2.935 0.000 2 311 25 26 PHE HD1 H 7.185 0.002 3 312 25 26 PHE HD2 H 7.185 0.002 3 313 25 26 PHE HE1 H 7.248 0.000 3 314 25 26 PHE HE2 H 7.248 0.000 3 315 25 26 PHE HZ H 7.206 0.000 1 316 25 26 PHE CA C 54.304 0.000 1 317 25 26 PHE CB C 39.026 0.019 1 318 25 26 PHE CD2 C 132.591 0.000 3 319 25 26 PHE CE2 C 131.393 0.000 3 320 25 26 PHE CZ C 129.767 0.000 1 321 25 26 PHE N N 116.737 0.000 1 322 26 27 PRO HA H 4.503 0.000 1 323 26 27 PRO HB2 H 2.413 0.000 2 324 26 27 PRO HB3 H 1.901 0.000 2 325 26 27 PRO HG2 H 1.913 0.000 2 326 26 27 PRO HG3 H 2.008 0.000 2 327 26 27 PRO HD2 H 3.270 0.000 2 328 26 27 PRO HD3 H 3.587 0.000 2 329 26 27 PRO C C 177.538 0.000 1 330 26 27 PRO CA C 64.394 0.000 1 331 26 27 PRO CB C 31.961 0.010 1 332 26 27 PRO CG C 27.331 0.008 1 333 26 27 PRO CD C 50.166 0.006 1 334 27 28 ASN H H 8.537 0.000 1 335 27 28 ASN HA H 4.725 0.000 1 336 27 28 ASN HB2 H 2.933 0.000 2 337 27 28 ASN HB3 H 2.966 0.000 2 338 27 28 ASN HD21 H 7.615 0.001 2 339 27 28 ASN HD22 H 6.998 0.001 2 340 27 28 ASN C C 174.678 0.000 1 341 27 28 ASN CA C 52.868 0.000 1 342 27 28 ASN CB C 38.331 0.002 1 343 27 28 ASN CG C 178.019 0.016 1 344 27 28 ASN N N 114.596 0.000 1 345 27 28 ASN ND2 N 113.142 0.000 1 346 28 29 ARG H H 7.580 0.000 1 347 28 29 ARG HA H 4.769 0.000 1 348 28 29 ARG HB2 H 0.958 0.000 2 349 28 29 ARG HB3 H 1.616 0.000 2 350 28 29 ARG HG2 H 1.383 0.000 2 351 28 29 ARG HG3 H 1.383 0.000 2 352 28 29 ARG HD2 H 2.493 0.000 2 353 28 29 ARG HD3 H 2.752 0.000 2 354 28 29 ARG HE H 7.244 0.000 1 355 28 29 ARG C C 174.469 0.000 1 356 28 29 ARG CA C 52.948 0.000 1 357 28 29 ARG CB C 32.941 0.003 1 358 28 29 ARG CG C 27.467 0.000 1 359 28 29 ARG CD C 42.515 0.002 1 360 28 29 ARG CZ C 159.507 0.000 1 361 28 29 ARG N N 116.946 0.000 1 362 28 29 ARG NE N 83.717 0.000 1 363 29 30 ILE H H 9.262 0.000 1 364 29 30 ILE HA H 4.098 0.000 1 365 29 30 ILE HB H 1.442 0.000 1 366 29 30 ILE HG12 H 0.875 0.000 2 367 29 30 ILE HG13 H 0.934 0.000 2 368 29 30 ILE HG2 H 0.236 0.000 . 369 29 30 ILE HD1 H 0.329 0.000 . 370 29 30 ILE CA C 55.558 0.000 1 371 29 30 ILE CB C 38.805 0.000 1 372 29 30 ILE CG1 C 26.676 0.001 1 373 29 30 ILE CG2 C 17.009 0.000 1 374 29 30 ILE CD1 C 11.752 0.000 1 375 29 30 ILE N N 121.854 0.000 1 376 30 31 PRO HA H 4.856 0.000 1 377 30 31 PRO HB2 H 1.896 0.000 2 378 30 31 PRO HB3 H 1.434 0.000 2 379 30 31 PRO HG2 H 1.691 0.000 2 380 30 31 PRO HG3 H 2.445 0.000 2 381 30 31 PRO HD2 H 3.235 0.000 2 382 30 31 PRO HD3 H 3.429 0.000 2 383 30 31 PRO C C 174.121 0.000 1 384 30 31 PRO CA C 61.705 0.000 1 385 30 31 PRO CB C 30.966 0.004 1 386 30 31 PRO CG C 26.815 0.002 1 387 30 31 PRO CD C 50.226 0.004 1 388 31 32 VAL H H 9.096 0.000 1 389 31 32 VAL HA H 4.997 0.000 1 390 31 32 VAL HB H 1.900 0.000 1 391 31 32 VAL HG1 H 0.599 0.000 . 392 31 32 VAL HG2 H 0.705 0.000 . 393 31 32 VAL C C 174.181 0.000 1 394 31 32 VAL CA C 60.620 0.000 1 395 31 32 VAL CB C 35.645 0.000 1 396 31 32 VAL CG1 C 23.008 0.000 2 397 31 32 VAL CG2 C 22.020 0.000 2 398 31 32 VAL N N 127.197 0.000 1 399 32 33 ILE H H 8.775 0.000 1 400 32 33 ILE HA H 4.917 0.000 1 401 32 33 ILE HB H 1.456 0.000 1 402 32 33 ILE HG12 H -0.106 0.000 2 403 32 33 ILE HG13 H 0.493 0.000 2 404 32 33 ILE HG2 H 0.544 0.000 . 405 32 33 ILE HD1 H -0.811 0.000 . 406 32 33 ILE C C 174.991 0.000 1 407 32 33 ILE CA C 56.589 0.000 1 408 32 33 ILE CB C 35.908 0.000 1 409 32 33 ILE CG1 C 25.337 0.005 1 410 32 33 ILE CG2 C 16.810 0.000 1 411 32 33 ILE CD1 C 7.541 0.000 1 412 32 33 ILE N N 127.157 0.000 1 413 33 34 CYS H H 9.738 0.000 1 414 33 34 CYS HA H 5.559 0.000 1 415 33 34 CYS HB2 H 2.434 0.000 2 416 33 34 CYS HB3 H 3.163 0.000 2 417 33 34 CYS HG H 1.379 0.000 1 418 33 34 CYS C C 173.218 0.000 1 419 33 34 CYS CA C 57.121 0.000 1 420 33 34 CYS CB C 28.880 0.001 1 421 33 34 CYS N N 129.280 0.000 1 422 34 35 GLU H H 8.531 0.000 1 423 34 35 GLU HA H 4.977 0.000 1 424 34 35 GLU HB2 H 2.071 0.000 2 425 34 35 GLU HB3 H 2.310 0.000 2 426 34 35 GLU HG2 H 2.346 0.000 2 427 34 35 GLU HG3 H 2.346 0.000 2 428 34 35 GLU C C 174.190 0.000 1 429 34 35 GLU CA C 54.308 0.000 1 430 34 35 GLU CB C 35.281 0.003 1 431 34 35 GLU CG C 38.721 0.000 1 432 34 35 GLU N N 124.130 0.000 1 433 35 36 LYS H H 8.949 0.000 1 434 35 36 LYS HA H 3.056 0.000 1 435 35 36 LYS HB2 H 1.556 0.000 2 436 35 36 LYS HB3 H 1.649 0.000 2 437 35 36 LYS HG2 H 0.912 0.000 2 438 35 36 LYS HG3 H 1.528 0.000 2 439 35 36 LYS HD2 H 1.456 0.000 2 440 35 36 LYS HD3 H 1.767 0.000 2 441 35 36 LYS HE2 H 3.129 0.000 2 442 35 36 LYS HE3 H 3.129 0.000 2 443 35 36 LYS C C 177.452 0.000 1 444 35 36 LYS CA C 56.374 0.000 1 445 35 36 LYS CB C 32.750 0.001 1 446 35 36 LYS CG C 22.780 0.001 1 447 35 36 LYS CD C 29.184 0.008 1 448 35 36 LYS CE C 42.322 0.000 1 449 35 36 LYS N N 123.562 0.000 1 450 36 37 ALA H H 8.561 0.000 1 451 36 37 ALA HA H 4.163 0.000 1 452 36 37 ALA HB H 1.335 0.000 . 453 36 37 ALA C C 178.375 0.000 1 454 36 37 ALA CA C 52.702 0.000 1 455 36 37 ALA CB C 18.673 0.000 1 456 36 37 ALA N N 129.494 0.000 1 457 37 38 GLU H H 8.648 0.000 1 458 37 38 GLU HA H 3.959 0.000 1 459 37 38 GLU HB2 H 1.976 0.000 2 460 37 38 GLU HB3 H 2.090 0.000 2 461 37 38 GLU HG2 H 2.224 0.000 2 462 37 38 GLU HG3 H 2.332 0.000 2 463 37 38 GLU C C 177.516 0.000 1 464 37 38 GLU CA C 59.302 0.000 1 465 37 38 GLU CB C 30.154 0.001 1 466 37 38 GLU CG C 36.102 0.004 1 467 37 38 GLU N N 125.115 0.000 1 468 38 39 LYS H H 8.494 0.000 1 469 38 39 LYS HA H 4.188 0.000 1 470 38 39 LYS HB2 H 1.933 0.000 2 471 38 39 LYS HB3 H 1.726 0.000 2 472 38 39 LYS HG2 H 1.376 0.000 2 473 38 39 LYS HG3 H 1.345 0.000 2 474 38 39 LYS HD2 H 1.583 0.000 2 475 38 39 LYS HD3 H 1.626 0.000 2 476 38 39 LYS HE2 H 2.931 0.000 2 477 38 39 LYS HE3 H 2.931 0.000 2 478 38 39 LYS C C 176.244 0.000 1 479 38 39 LYS CA C 56.564 0.000 1 480 38 39 LYS CB C 31.484 0.003 1 481 38 39 LYS CG C 25.406 0.006 1 482 38 39 LYS CD C 28.992 0.003 1 483 38 39 LYS CE C 42.108 0.000 1 484 38 39 LYS N N 115.020 0.000 1 485 39 40 SER H H 7.346 0.000 1 486 39 40 SER HA H 4.535 0.000 1 487 39 40 SER HB2 H 3.726 0.000 2 488 39 40 SER HB3 H 4.076 0.000 2 489 39 40 SER C C 174.896 0.000 1 490 39 40 SER CA C 57.985 0.000 1 491 39 40 SER CB C 65.000 0.016 1 492 39 40 SER N N 113.091 0.000 1 493 40 41 ASP H H 8.744 0.000 1 494 40 41 ASP HA H 4.782 0.000 1 495 40 41 ASP HB2 H 2.759 0.000 2 496 40 41 ASP HB3 H 2.759 0.000 2 497 40 41 ASP C C 175.205 0.000 1 498 40 41 ASP CA C 53.549 0.000 1 499 40 41 ASP CB C 39.916 0.000 1 500 40 41 ASP N N 127.375 0.000 1 501 41 42 ILE H H 7.649 0.000 1 502 41 42 ILE HA H 4.661 0.000 1 503 41 42 ILE HB H 1.966 0.000 1 504 41 42 ILE HG12 H 1.455 0.000 2 505 41 42 ILE HG13 H 1.730 0.000 2 506 41 42 ILE HG2 H 0.978 0.000 . 507 41 42 ILE HD1 H 1.004 0.000 . 508 41 42 ILE CA C 59.133 0.000 1 509 41 42 ILE CB C 40.534 0.000 1 510 41 42 ILE CG1 C 28.617 0.004 1 511 41 42 ILE CG2 C 18.006 0.000 1 512 41 42 ILE CD1 C 14.968 0.000 1 513 41 42 ILE N N 122.943 0.000 1 514 42 43 PRO HA H 4.414 0.000 1 515 42 43 PRO HB2 H 2.488 0.000 2 516 42 43 PRO HB3 H 1.810 0.000 2 517 42 43 PRO HG2 H 1.984 0.000 2 518 42 43 PRO HG3 H 2.066 0.000 2 519 42 43 PRO HD2 H 3.398 0.000 2 520 42 43 PRO HD3 H 4.004 0.000 2 521 42 43 PRO C C 175.952 0.000 1 522 42 43 PRO CA C 63.829 0.000 1 523 42 43 PRO CB C 32.895 0.006 1 524 42 43 PRO CG C 28.034 0.004 1 525 42 43 PRO CD C 51.880 0.001 1 526 43 44 GLU H H 8.393 0.000 1 527 43 44 GLU HA H 4.298 0.000 1 528 43 44 GLU HB2 H 1.941 0.000 2 529 43 44 GLU HB3 H 2.112 0.000 2 530 43 44 GLU HG2 H 2.408 0.000 2 531 43 44 GLU HG3 H 2.408 0.000 2 532 43 44 GLU C C 175.316 0.000 1 533 43 44 GLU CA C 56.400 0.000 1 534 43 44 GLU CB C 31.282 0.005 1 535 43 44 GLU CG C 36.524 0.000 1 536 43 44 GLU N N 120.369 0.000 1 537 44 45 ILE H H 8.067 0.000 1 538 44 45 ILE HA H 4.419 0.000 1 539 44 45 ILE HB H 1.892 0.000 1 540 44 45 ILE HG12 H 1.500 0.000 2 541 44 45 ILE HG13 H 1.444 0.000 2 542 44 45 ILE HG2 H 1.049 0.000 . 543 44 45 ILE HD1 H 0.839 0.000 . 544 44 45 ILE C C 174.786 0.000 1 545 44 45 ILE CA C 61.027 0.000 1 546 44 45 ILE CB C 40.509 0.000 1 547 44 45 ILE CG1 C 28.669 0.002 1 548 44 45 ILE CG2 C 16.568 0.000 1 549 44 45 ILE CD1 C 15.590 0.000 1 550 44 45 ILE N N 123.670 0.000 1 551 45 46 ASP H H 8.468 0.000 1 552 45 46 ASP HA H 4.412 0.000 1 553 45 46 ASP HB2 H 2.765 0.000 2 554 45 46 ASP HB3 H 2.765 0.000 2 555 45 46 ASP C C 175.494 0.000 1 556 45 46 ASP CA C 55.467 0.000 1 557 45 46 ASP CB C 40.320 0.000 1 558 45 46 ASP N N 123.340 0.000 1 559 46 47 LYS H H 7.319 0.000 1 560 46 47 LYS HA H 4.428 0.000 1 561 46 47 LYS HB2 H 1.612 0.000 2 562 46 47 LYS HB3 H 1.612 0.000 2 563 46 47 LYS HG2 H 0.655 0.000 2 564 46 47 LYS HG3 H 1.215 0.000 2 565 46 47 LYS HD2 H 1.378 0.000 2 566 46 47 LYS HD3 H 1.457 0.000 2 567 46 47 LYS HE2 H 2.579 0.000 2 568 46 47 LYS HE3 H 2.755 0.000 2 569 46 47 LYS CA C 56.020 0.000 1 570 46 47 LYS CB C 34.644 0.000 1 571 46 47 LYS CG C 24.595 0.006 1 572 46 47 LYS CD C 29.503 0.001 1 573 46 47 LYS CE C 42.277 0.000 1 574 46 47 LYS N N 121.295 0.000 1 575 47 48 ARG H H 8.558 0.000 1 576 47 48 ARG HA H 5.271 0.000 1 577 47 48 ARG HB2 H 1.911 0.000 2 578 47 48 ARG HB3 H 2.071 0.000 2 579 47 48 ARG HG2 H 1.543 0.000 2 580 47 48 ARG HG3 H 1.857 0.000 2 581 47 48 ARG HD2 H 3.241 0.000 2 582 47 48 ARG HD3 H 3.400 0.000 2 583 47 48 ARG C C 173.546 0.000 1 584 47 48 ARG CA C 55.581 0.000 1 585 47 48 ARG CB C 32.992 0.004 1 586 47 48 ARG CG C 25.725 0.018 1 587 47 48 ARG CD C 44.992 0.005 1 588 47 48 ARG N N 124.949 0.000 1 589 48 49 LYS H H 7.440 0.000 1 590 48 49 LYS HA H 5.030 0.000 1 591 48 49 LYS HB2 H 1.088 0.000 2 592 48 49 LYS HB3 H 1.122 0.000 2 593 48 49 LYS HG2 H 0.818 0.000 2 594 48 49 LYS HG3 H 1.120 0.000 2 595 48 49 LYS HD2 H 1.422 0.000 2 596 48 49 LYS HD3 H 1.592 0.000 2 597 48 49 LYS HE2 H 2.679 0.000 2 598 48 49 LYS HE3 H 2.679 0.000 2 599 48 49 LYS C C 174.301 0.000 1 600 48 49 LYS CA C 55.042 0.000 1 601 48 49 LYS CB C 34.065 0.000 1 602 48 49 LYS CG C 24.251 0.019 1 603 48 49 LYS CD C 30.498 0.000 1 604 48 49 LYS CE C 41.445 0.000 1 605 48 49 LYS N N 122.812 0.000 1 606 49 50 TYR H H 9.590 0.000 1 607 49 50 TYR HA H 4.721 0.000 1 608 49 50 TYR HB2 H 2.661 0.000 2 609 49 50 TYR HB3 H 2.929 0.000 2 610 49 50 TYR HD1 H 7.030 0.004 3 611 49 50 TYR HD2 H 7.030 0.004 3 612 49 50 TYR HE1 H 6.606 0.000 3 613 49 50 TYR HE2 H 6.606 0.000 3 614 49 50 TYR C C 173.674 0.000 1 615 49 50 TYR CA C 57.192 0.000 1 616 49 50 TYR CB C 43.123 0.014 1 617 49 50 TYR CD2 C 132.585 0.000 3 618 49 50 TYR CE2 C 118.296 0.000 3 619 49 50 TYR N N 124.842 0.000 1 620 50 51 LEU H H 8.901 0.000 1 621 50 51 LEU HA H 4.753 0.000 1 622 50 51 LEU HB2 H 0.825 0.000 2 623 50 51 LEU HB3 H 1.562 0.000 2 624 50 51 LEU HG H 1.285 0.000 1 625 50 51 LEU HD1 H 0.315 0.000 . 626 50 51 LEU HD2 H 0.396 0.000 . 627 50 51 LEU C C 176.050 0.000 1 628 50 51 LEU CA C 53.158 0.000 1 629 50 51 LEU CB C 41.155 0.019 1 630 50 51 LEU CG C 27.282 0.000 1 631 50 51 LEU CD1 C 24.666 0.000 2 632 50 51 LEU CD2 C 24.885 0.000 2 633 50 51 LEU N N 124.138 0.000 1 634 51 52 VAL H H 8.513 0.000 1 635 51 52 VAL HA H 3.948 0.000 1 636 51 52 VAL HB H 1.743 0.000 1 637 51 52 VAL HG1 H 0.659 0.000 . 638 51 52 VAL HG2 H 0.704 0.000 . 639 51 52 VAL CA C 59.724 0.000 1 640 51 52 VAL CB C 33.605 0.000 1 641 51 52 VAL CG1 C 22.742 0.000 2 642 51 52 VAL CG2 C 21.764 0.000 2 643 51 52 VAL N N 123.181 0.000 1 644 52 53 PRO HA H 4.305 0.000 1 645 52 53 PRO HB2 H 2.409 0.000 2 646 52 53 PRO HB3 H 1.862 0.000 2 647 52 53 PRO C C 176.607 0.000 1 648 52 53 PRO CA C 63.950 0.000 1 649 52 53 PRO CB C 32.163 0.002 1 650 53 54 ALA H H 7.926 0.000 1 651 53 54 ALA HA H 3.720 0.000 1 652 53 54 ALA HB H 1.281 0.000 . 653 53 54 ALA C C 176.409 0.000 1 654 53 54 ALA CA C 54.742 0.000 1 655 53 54 ALA CB C 18.948 0.000 1 656 53 54 ALA N N 123.771 0.000 1 657 54 55 ASP H H 8.106 0.000 1 658 54 55 ASP HA H 4.621 0.000 1 659 54 55 ASP HB2 H 2.825 0.000 2 660 54 55 ASP HB3 H 2.624 0.000 2 661 54 55 ASP C C 175.823 0.000 1 662 54 55 ASP CA C 52.744 0.000 1 663 54 55 ASP CB C 39.861 0.004 1 664 54 55 ASP N N 111.152 0.000 1 665 55 56 LEU H H 7.295 0.000 1 666 55 56 LEU HA H 4.351 0.000 1 667 55 56 LEU HB2 H 1.429 0.000 2 668 55 56 LEU HB3 H 1.593 0.000 2 669 55 56 LEU HG H 2.071 0.000 1 670 55 56 LEU HD1 H 0.871 0.000 . 671 55 56 LEU HD2 H 0.917 0.000 . 672 55 56 LEU C C 177.459 0.000 1 673 55 56 LEU CA C 55.472 0.000 1 674 55 56 LEU CB C 43.593 0.005 1 675 55 56 LEU CG C 27.318 0.000 1 676 55 56 LEU CD1 C 26.012 0.000 2 677 55 56 LEU CD2 C 25.485 0.000 2 678 55 56 LEU N N 121.263 0.000 1 679 56 57 THR H H 8.476 0.000 1 680 56 57 THR HA H 5.233 0.000 1 681 56 57 THR HB H 4.776 0.000 1 682 56 57 THR HG1 H 5.625 0.000 1 683 56 57 THR HG2 H 1.212 0.000 . 684 56 57 THR C C 176.538 0.000 1 685 56 57 THR CA C 60.318 0.000 1 686 56 57 THR CB C 71.303 0.000 1 687 56 57 THR CG2 C 22.210 0.000 1 688 56 57 THR N N 114.222 0.000 1 689 57 58 VAL H H 8.806 0.000 1 690 57 58 VAL HA H 3.738 0.000 1 691 57 58 VAL HB H 2.324 0.000 1 692 57 58 VAL HG1 H 0.836 0.000 . 693 57 58 VAL HG2 H 0.949 0.000 . 694 57 58 VAL C C 178.743 0.000 1 695 57 58 VAL CA C 66.797 0.000 1 696 57 58 VAL CB C 31.801 0.000 1 697 57 58 VAL CG1 C 21.469 0.000 2 698 57 58 VAL CG2 C 24.073 0.000 2 699 57 58 VAL N N 122.331 0.000 1 700 58 59 GLY H H 9.381 0.000 1 701 58 59 GLY HA2 H 3.934 0.000 . 702 58 59 GLY HA3 H 3.734 0.000 2 703 58 59 GLY C C 176.924 0.000 1 704 58 59 GLY CA C 47.317 0.004 1 705 58 59 GLY N N 105.470 0.000 1 706 59 60 GLN H H 8.027 0.000 1 707 59 60 GLN HA H 4.166 0.000 1 708 59 60 GLN HB2 H 2.041 0.000 2 709 59 60 GLN HB3 H 2.511 0.000 2 710 59 60 GLN HG2 H 2.431 0.000 2 711 59 60 GLN HG3 H 2.431 0.000 2 712 59 60 GLN HE21 H 7.569 0.001 2 713 59 60 GLN HE22 H 6.865 0.000 2 714 59 60 GLN C C 178.605 0.000 1 715 59 60 GLN CA C 58.764 0.000 1 716 59 60 GLN CB C 29.129 0.003 1 717 59 60 GLN CG C 35.170 0.000 1 718 59 60 GLN CD C 180.130 0.006 1 719 59 60 GLN N N 121.492 0.000 1 720 59 60 GLN NE2 N 111.544 0.013 1 721 60 61 PHE H H 8.522 0.000 1 722 60 61 PHE HA H 4.291 0.000 1 723 60 61 PHE HB2 H 3.431 0.000 2 724 60 61 PHE HB3 H 3.078 0.000 2 725 60 61 PHE HD1 H 6.951 0.004 3 726 60 61 PHE HD2 H 6.951 0.004 3 727 60 61 PHE HE1 H 6.784 0.000 3 728 60 61 PHE HE2 H 6.784 0.000 3 729 60 61 PHE HZ H 6.477 0.000 1 730 60 61 PHE C C 176.690 0.000 1 731 60 61 PHE CA C 61.502 0.000 1 732 60 61 PHE CB C 39.155 0.005 1 733 60 61 PHE CD1 C 130.831 0.000 3 734 60 61 PHE CE1 C 130.569 0.000 3 735 60 61 PHE CZ C 129.070 0.000 1 736 60 61 PHE N N 122.595 0.000 1 737 61 62 VAL H H 8.705 0.000 1 738 61 62 VAL HA H 3.070 0.000 1 739 61 62 VAL HB H 2.153 0.000 1 740 61 62 VAL HG1 H 0.752 0.000 . 741 61 62 VAL HG2 H 1.025 0.000 . 742 61 62 VAL C C 176.872 0.000 1 743 61 62 VAL CA C 67.040 0.000 1 744 61 62 VAL CB C 31.119 0.000 1 745 61 62 VAL CG1 C 22.046 0.000 2 746 61 62 VAL CG2 C 24.031 0.000 2 747 61 62 VAL N N 118.720 0.000 1 748 62 63 TYR H H 7.373 0.000 1 749 62 63 TYR HA H 3.987 0.000 1 750 62 63 TYR HB2 H 3.237 0.000 2 751 62 63 TYR HB3 H 3.117 0.000 2 752 62 63 TYR HD1 H 7.119 0.002 3 753 62 63 TYR HD2 H 7.119 0.002 3 754 62 63 TYR HE1 H 6.786 0.000 3 755 62 63 TYR HE2 H 6.786 0.000 3 756 62 63 TYR C C 177.325 0.000 1 757 62 63 TYR CA C 61.685 0.000 1 758 62 63 TYR CB C 37.906 0.005 1 759 62 63 TYR CD2 C 133.190 0.000 3 760 62 63 TYR CE2 C 118.117 0.000 3 761 62 63 TYR N N 118.462 0.000 1 762 63 64 VAL H H 7.376 0.000 1 763 63 64 VAL HA H 3.342 0.000 1 764 63 64 VAL HB H 2.132 0.000 1 765 63 64 VAL HG1 H 0.566 0.000 . 766 63 64 VAL HG2 H 1.088 0.000 . 767 63 64 VAL C C 178.326 0.000 1 768 63 64 VAL CA C 66.615 0.000 1 769 63 64 VAL CB C 31.157 0.000 1 770 63 64 VAL CG1 C 20.765 0.000 2 771 63 64 VAL CG2 C 23.011 0.000 2 772 63 64 VAL N N 119.137 0.000 1 773 64 65 ILE H H 7.366 0.000 1 774 64 65 ILE HA H 3.279 0.000 1 775 64 65 ILE HB H 1.467 0.000 1 776 64 65 ILE HG12 H 0.464 0.000 2 777 64 65 ILE HG13 H 0.567 0.000 2 778 64 65 ILE HG2 H -0.001 0.000 . 779 64 65 ILE HD1 H -0.018 0.000 . 780 64 65 ILE C C 177.653 0.000 1 781 64 65 ILE CA C 63.682 0.000 1 782 64 65 ILE CB C 36.150 0.000 1 783 64 65 ILE CG1 C 26.342 0.000 1 784 64 65 ILE CG2 C 16.944 0.000 1 785 64 65 ILE CD1 C 11.224 0.000 1 786 64 65 ILE N N 118.858 0.000 1 787 65 66 ARG H H 8.463 0.000 1 788 65 66 ARG HA H 3.397 0.000 1 789 65 66 ARG HB2 H 1.687 0.000 2 790 65 66 ARG HB3 H 1.763 0.000 2 791 65 66 ARG HG2 H 1.333 0.000 2 792 65 66 ARG HG3 H 1.545 0.000 2 793 65 66 ARG HD2 H 3.056 0.000 2 794 65 66 ARG HD3 H 3.056 0.000 2 795 65 66 ARG HE H 7.429 0.000 1 796 65 66 ARG HH11 H 6.561 0.000 . 797 65 66 ARG C C 178.284 0.000 1 798 65 66 ARG CA C 60.078 0.000 1 799 65 66 ARG CB C 30.022 0.006 1 800 65 66 ARG CG C 28.517 0.002 1 801 65 66 ARG CD C 43.251 0.000 1 802 65 66 ARG CZ C 159.277 0.000 1 803 65 66 ARG N N 118.729 0.000 1 804 65 66 ARG NE N 81.795 0.000 1 805 66 67 LYS H H 7.536 0.000 1 806 66 67 LYS HA H 3.951 0.000 1 807 66 67 LYS HB2 H 1.673 0.000 2 808 66 67 LYS HB3 H 1.713 0.000 2 809 66 67 LYS HG2 H 1.228 0.000 2 810 66 67 LYS HG3 H 1.315 0.000 2 811 66 67 LYS HD2 H 1.535 0.000 2 812 66 67 LYS HD3 H 1.535 0.000 2 813 66 67 LYS HE2 H 2.806 0.000 2 814 66 67 LYS HE3 H 2.873 0.000 2 815 66 67 LYS C C 178.989 0.000 1 816 66 67 LYS CA C 58.347 0.000 1 817 66 67 LYS CB C 31.938 0.001 1 818 66 67 LYS CG C 24.544 0.000 1 819 66 67 LYS CD C 29.046 0.000 1 820 66 67 LYS CE C 41.841 0.001 1 821 66 67 LYS N N 116.643 0.000 1 822 67 68 ARG H H 7.783 0.000 1 823 67 68 ARG HA H 4.104 0.000 1 824 67 68 ARG HB2 H 1.859 0.000 2 825 67 68 ARG HB3 H 2.006 0.000 2 826 67 68 ARG HG2 H 1.699 0.000 2 827 67 68 ARG HG3 H 1.821 0.000 2 828 67 68 ARG HD2 H 3.180 0.000 2 829 67 68 ARG HD3 H 3.215 0.000 2 830 67 68 ARG HE H 8.245 0.000 1 831 67 68 ARG HH11 H 6.958 0.000 . 832 67 68 ARG C C 178.122 0.000 1 833 67 68 ARG CA C 58.182 0.000 1 834 67 68 ARG CB C 30.273 0.020 1 835 67 68 ARG CG C 27.517 0.005 1 836 67 68 ARG CD C 42.996 0.001 1 837 67 68 ARG CZ C 159.684 0.000 1 838 67 68 ARG N N 119.051 0.000 1 839 67 68 ARG NE N 85.107 0.000 1 840 68 69 ILE H H 7.675 0.000 1 841 68 69 ILE HA H 4.223 0.000 1 842 68 69 ILE HB H 1.846 0.000 1 843 68 69 ILE HG12 H 1.151 0.000 2 844 68 69 ILE HG13 H 1.272 0.000 2 845 68 69 ILE HG2 H 0.750 0.000 . 846 68 69 ILE HD1 H 0.532 0.000 . 847 68 69 ILE C C 174.568 0.000 1 848 68 69 ILE CA C 61.502 0.000 1 849 68 69 ILE CB C 38.643 0.000 1 850 68 69 ILE CG1 C 26.263 0.000 1 851 68 69 ILE CG2 C 17.682 0.000 1 852 68 69 ILE CD1 C 14.695 0.000 1 853 68 69 ILE N N 112.456 0.000 1 854 69 70 MET H H 7.805 0.000 1 855 69 70 MET HA H 3.982 0.000 1 856 69 70 MET HB2 H 2.109 0.000 2 857 69 70 MET HB3 H 2.206 0.000 2 858 69 70 MET HG2 H 2.468 0.000 2 859 69 70 MET HG3 H 2.468 0.000 2 860 69 70 MET HE H 2.080 0.000 . 861 69 70 MET C C 175.482 0.000 1 862 69 70 MET CA C 55.811 0.000 1 863 69 70 MET CB C 29.392 0.008 1 864 69 70 MET CG C 32.272 0.000 1 865 69 70 MET CE C 16.905 0.000 1 866 69 70 MET N N 118.509 0.000 1 867 70 71 LEU H H 7.493 0.000 1 868 70 71 LEU HA H 4.603 0.000 1 869 70 71 LEU HB2 H 1.572 0.000 2 870 70 71 LEU HB3 H 1.223 0.000 2 871 70 71 LEU HG H 1.596 0.000 1 872 70 71 LEU HD1 H 0.899 0.000 . 873 70 71 LEU HD2 H 0.768 0.000 . 874 70 71 LEU CA C 52.560 0.000 1 875 70 71 LEU CB C 44.045 0.001 1 876 70 71 LEU CG C 26.504 0.000 1 877 70 71 LEU CD1 C 25.398 0.000 2 878 70 71 LEU CD2 C 25.892 0.000 2 879 70 71 LEU N N 121.952 0.000 1 880 71 72 PRO HA H 4.678 0.000 1 881 71 72 PRO HB2 H 2.482 0.000 2 882 71 72 PRO HB3 H 2.030 0.000 2 883 71 72 PRO HG2 H 2.027 0.000 2 884 71 72 PRO HG3 H 2.116 0.000 2 885 71 72 PRO HD2 H 3.511 0.000 2 886 71 72 PRO HD3 H 4.112 0.000 2 887 71 72 PRO CA C 62.124 0.000 1 888 71 72 PRO CB C 31.307 0.001 1 889 71 72 PRO CG C 27.744 0.002 1 890 71 72 PRO CD C 51.294 0.003 1 891 72 73 PRO HA H 4.123 0.000 1 892 72 73 PRO HB2 H 2.316 0.000 2 893 72 73 PRO HB3 H 1.934 0.000 2 894 72 73 PRO HG2 H 2.051 0.000 2 895 72 73 PRO HG3 H 2.105 0.000 2 896 72 73 PRO HD2 H 3.786 0.000 2 897 72 73 PRO HD3 H 3.786 0.000 2 898 72 73 PRO C C 177.052 0.000 1 899 72 73 PRO CA C 64.924 0.000 1 900 72 73 PRO CB C 32.049 0.004 1 901 72 73 PRO CG C 27.505 0.004 1 902 72 73 PRO CD C 50.676 0.000 1 903 73 74 GLU H H 9.065 0.000 1 904 73 74 GLU HA H 4.181 0.000 1 905 73 74 GLU HB2 H 2.032 0.000 2 906 73 74 GLU HB3 H 2.073 0.000 2 907 73 74 GLU HG2 H 2.207 0.000 2 908 73 74 GLU HG3 H 2.313 0.000 2 909 73 74 GLU C C 176.459 0.000 1 910 73 74 GLU CA C 57.774 0.000 1 911 73 74 GLU CB C 28.321 0.000 1 912 73 74 GLU CG C 36.100 0.004 1 913 73 74 GLU N N 115.091 0.000 1 914 74 75 LYS H H 7.797 0.000 1 915 74 75 LYS HA H 4.520 0.000 1 916 74 75 LYS HB2 H 1.774 0.000 2 917 74 75 LYS HB3 H 1.945 0.000 2 918 74 75 LYS HG2 H 1.409 0.000 2 919 74 75 LYS HG3 H 1.466 0.000 2 920 74 75 LYS HD2 H 1.731 0.000 2 921 74 75 LYS HD3 H 1.731 0.000 2 922 74 75 LYS HE2 H 3.052 0.000 2 923 74 75 LYS HE3 H 3.052 0.000 2 924 74 75 LYS C C 174.789 0.000 1 925 74 75 LYS CA C 54.789 0.000 1 926 74 75 LYS CB C 32.882 0.001 1 927 74 75 LYS CG C 25.248 0.002 1 928 74 75 LYS CD C 28.848 0.000 1 929 74 75 LYS CE C 42.252 0.000 1 930 74 75 LYS N N 121.755 0.000 1 931 75 76 ALA H H 8.410 0.000 1 932 75 76 ALA HA H 4.072 0.000 1 933 75 76 ALA HB H 1.229 0.000 . 934 75 76 ALA C C 175.710 0.000 1 935 75 76 ALA CA C 52.226 0.000 1 936 75 76 ALA CB C 20.956 0.000 1 937 75 76 ALA N N 127.848 0.000 1 938 76 77 ILE H H 7.193 0.000 1 939 76 77 ILE HA H 4.593 0.000 1 940 76 77 ILE HB H 1.408 0.000 1 941 76 77 ILE HG12 H 1.404 0.000 2 942 76 77 ILE HG13 H 0.826 0.000 2 943 76 77 ILE HG2 H 0.625 0.000 . 944 76 77 ILE HD1 H 0.535 0.000 . 945 76 77 ILE C C 172.379 0.000 1 946 76 77 ILE CA C 59.699 0.000 1 947 76 77 ILE CB C 41.218 0.000 1 948 76 77 ILE CG1 C 27.946 0.000 1 949 76 77 ILE CG2 C 16.600 0.000 1 950 76 77 ILE CD1 C 13.932 0.000 1 951 76 77 ILE N N 114.298 0.000 1 952 77 78 PHE H H 8.931 0.000 1 953 77 78 PHE HA H 4.556 0.000 1 954 77 78 PHE HB2 H 2.479 0.000 2 955 77 78 PHE HB3 H 2.602 0.000 2 956 77 78 PHE HD1 H 6.965 0.000 3 957 77 78 PHE HD2 H 6.965 0.000 3 958 77 78 PHE HE1 H 7.209 0.000 3 959 77 78 PHE HE2 H 7.209 0.000 3 960 77 78 PHE HZ H 7.236 0.000 1 961 77 78 PHE C C 174.359 0.000 1 962 77 78 PHE CA C 56.596 0.000 1 963 77 78 PHE CB C 42.370 0.056 1 964 77 78 PHE CD1 C 132.236 0.000 3 965 77 78 PHE CE1 C 130.987 0.000 3 966 77 78 PHE CZ C 129.623 0.000 1 967 77 78 PHE N N 124.094 0.000 1 968 78 79 ILE H H 8.025 0.000 1 969 78 79 ILE HA H 5.233 0.000 1 970 78 79 ILE HB H 1.823 0.000 1 971 78 79 ILE HG12 H 1.373 0.000 2 972 78 79 ILE HG13 H 1.200 0.000 2 973 78 79 ILE HG2 H 0.808 0.000 . 974 78 79 ILE HD1 H 0.798 0.000 . 975 78 79 ILE C C 173.334 0.000 1 976 78 79 ILE CA C 58.130 0.000 1 977 78 79 ILE CB C 39.360 0.000 1 978 78 79 ILE CG1 C 26.877 0.001 1 979 78 79 ILE CG2 C 17.387 0.000 1 980 78 79 ILE CD1 C 12.874 0.000 1 981 78 79 ILE N N 117.724 0.000 1 982 79 80 PHE H H 9.210 0.000 1 983 79 80 PHE HA H 5.365 0.000 1 984 79 80 PHE HB2 H 2.929 0.000 2 985 79 80 PHE HB3 H 2.929 0.000 2 986 79 80 PHE HD1 H 6.944 0.003 3 987 79 80 PHE HD2 H 6.944 0.003 3 988 79 80 PHE HE1 H 7.194 0.000 3 989 79 80 PHE HE2 H 7.194 0.000 3 990 79 80 PHE HZ H 7.058 0.000 1 991 79 80 PHE C C 176.270 0.000 1 992 79 80 PHE CA C 55.948 0.000 1 993 79 80 PHE CB C 42.763 0.106 1 994 79 80 PHE CD1 C 131.603 0.000 3 995 79 80 PHE CE1 C 131.484 0.000 3 996 79 80 PHE CZ C 129.329 0.000 1 997 79 80 PHE N N 121.084 0.000 1 998 80 81 VAL H H 8.832 0.000 1 999 80 81 VAL HA H 4.520 0.000 1 1000 80 81 VAL HB H 1.568 0.000 1 1001 80 81 VAL HG1 H 0.672 0.000 . 1002 80 81 VAL HG2 H 0.733 0.000 . 1003 80 81 VAL C C 175.699 0.000 1 1004 80 81 VAL CA C 60.484 0.000 1 1005 80 81 VAL CB C 34.263 0.000 1 1006 80 81 VAL CG1 C 21.487 0.000 2 1007 80 81 VAL CG2 C 20.680 0.000 2 1008 80 81 VAL N N 117.974 0.000 1 1009 81 82 ASN H H 9.689 0.000 1 1010 81 82 ASN HA H 4.339 0.000 1 1011 81 82 ASN HB2 H 2.811 0.000 2 1012 81 82 ASN HB3 H 3.039 0.000 2 1013 81 82 ASN HD21 H 8.814 0.002 2 1014 81 82 ASN HD22 H 7.136 0.000 2 1015 81 82 ASN C C 174.036 0.000 1 1016 81 82 ASN CA C 55.231 0.000 1 1017 81 82 ASN CB C 37.408 0.001 1 1018 81 82 ASN CG C 177.960 0.002 1 1019 81 82 ASN N N 127.615 0.000 1 1020 81 82 ASN ND2 N 116.147 0.000 1 1021 82 83 ASP H H 8.772 0.000 1 1022 82 83 ASP HA H 4.135 0.000 1 1023 82 83 ASP HB2 H 2.677 0.000 2 1024 82 83 ASP HB3 H 2.832 0.000 2 1025 82 83 ASP C C 174.560 0.000 1 1026 82 83 ASP CA C 55.638 0.000 1 1027 82 83 ASP CB C 39.564 0.015 1 1028 82 83 ASP N N 112.699 0.000 1 1029 83 84 THR H H 8.080 0.000 1 1030 83 84 THR HA H 4.715 0.000 1 1031 83 84 THR HB H 4.124 0.000 1 1032 83 84 THR HG2 H 1.217 0.000 . 1033 83 84 THR C C 172.200 0.000 1 1034 83 84 THR CA C 60.868 0.000 1 1035 83 84 THR CB C 72.206 0.000 1 1036 83 84 THR CG2 C 21.261 0.000 1 1037 83 84 THR N N 112.567 0.000 1 1038 84 85 LEU H H 8.520 0.000 1 1039 84 85 LEU HA H 5.127 0.000 1 1040 84 85 LEU HB2 H 1.679 0.000 2 1041 84 85 LEU HB3 H 1.478 0.000 2 1042 84 85 LEU HG H 1.372 0.000 1 1043 84 85 LEU HD1 H 0.780 0.000 . 1044 84 85 LEU HD2 H 0.626 0.000 . 1045 84 85 LEU CA C 51.927 0.000 1 1046 84 85 LEU CB C 42.779 0.001 1 1047 84 85 LEU CG C 27.144 0.000 1 1048 84 85 LEU CD1 C 25.420 0.000 2 1049 84 85 LEU CD2 C 25.514 0.000 2 1050 84 85 LEU N N 125.810 0.000 1 1051 85 86 PRO HA H 4.835 0.000 1 1052 85 86 PRO HB2 H 2.203 0.000 2 1053 85 86 PRO HB3 H 1.847 0.000 2 1054 85 86 PRO HG2 H 1.682 0.000 2 1055 85 86 PRO HG3 H 1.924 0.000 2 1056 85 86 PRO HD2 H 3.949 0.000 2 1057 85 86 PRO HD3 H 4.248 0.000 2 1058 85 86 PRO CA C 60.910 0.000 1 1059 85 86 PRO CB C 30.852 0.000 1 1060 85 86 PRO CG C 26.849 0.009 1 1061 85 86 PRO CD C 50.788 0.002 1 1062 86 87 PRO HA H 4.577 0.000 1 1063 86 87 PRO HB2 H 2.455 0.000 2 1064 86 87 PRO HB3 H 2.003 0.000 2 1065 86 87 PRO HG2 H 2.121 0.000 2 1066 86 87 PRO HG3 H 2.176 0.000 2 1067 86 87 PRO HD2 H 3.535 0.000 2 1068 86 87 PRO HD3 H 3.948 0.000 2 1069 86 87 PRO C C 177.830 0.000 1 1070 86 87 PRO CA C 62.424 0.000 1 1071 86 87 PRO CB C 31.910 0.002 1 1072 86 87 PRO CG C 27.747 0.005 1 1073 86 87 PRO CD C 50.564 0.006 1 1074 87 88 THR H H 8.291 0.000 1 1075 87 88 THR HA H 3.802 0.000 1 1076 87 88 THR HB H 4.165 0.000 1 1077 87 88 THR HG2 H 1.326 0.000 . 1078 87 88 THR C C 175.702 0.000 1 1079 87 88 THR CA C 65.079 0.000 1 1080 87 88 THR CB C 68.818 0.000 1 1081 87 88 THR CG2 C 22.376 0.000 1 1082 87 88 THR N N 114.642 0.000 1 1083 88 89 ALA H H 8.031 0.000 1 1084 88 89 ALA HA H 4.420 0.000 1 1085 88 89 ALA HB H 1.439 0.000 . 1086 88 89 ALA C C 177.690 0.000 1 1087 88 89 ALA CA C 52.118 0.000 1 1088 88 89 ALA CB C 19.334 0.000 1 1089 88 89 ALA N N 119.706 0.000 1 1090 89 90 ALA H H 7.465 0.000 1 1091 89 90 ALA HA H 4.179 0.000 1 1092 89 90 ALA HB H 1.445 0.000 . 1093 89 90 ALA C C 176.520 0.000 1 1094 89 90 ALA CA C 52.454 0.000 1 1095 89 90 ALA CB C 19.301 0.000 1 1096 89 90 ALA N N 120.388 0.000 1 1097 90 91 LEU H H 8.458 0.000 1 1098 90 91 LEU HA H 4.490 0.000 1 1099 90 91 LEU HB2 H 1.772 0.000 2 1100 90 91 LEU HB3 H 1.717 0.000 2 1101 90 91 LEU HG H 1.820 0.000 1 1102 90 91 LEU HD1 H 0.830 0.000 . 1103 90 91 LEU HD2 H 0.962 0.000 . 1104 90 91 LEU C C 179.555 0.000 1 1105 90 91 LEU CA C 54.578 0.000 1 1106 90 91 LEU CB C 42.689 0.000 1 1107 90 91 LEU CG C 27.683 0.000 1 1108 90 91 LEU CD1 C 23.264 0.000 2 1109 90 91 LEU CD2 C 25.336 0.000 2 1110 90 91 LEU N N 119.307 0.000 1 1111 91 92 MET H H 9.203 0.000 1 1112 91 92 MET HA H 4.231 0.000 1 1113 91 92 MET HB2 H 1.473 0.000 2 1114 91 92 MET HB3 H 2.045 0.000 2 1115 91 92 MET HG2 H 2.220 0.000 2 1116 91 92 MET HG3 H 2.312 0.000 2 1117 91 92 MET HE H 1.192 0.000 . 1118 91 92 MET C C 178.860 0.000 1 1119 91 92 MET CA C 56.938 0.000 1 1120 91 92 MET CB C 29.372 0.001 1 1121 91 92 MET CG C 32.789 0.000 1 1122 91 92 MET CE C 15.409 0.000 1 1123 91 92 MET N N 121.586 0.000 1 1124 92 93 SER H H 8.717 0.000 1 1125 92 93 SER HA H 3.978 0.000 1 1126 92 93 SER HB2 H 3.962 0.000 2 1127 92 93 SER HB3 H 3.962 0.000 2 1128 92 93 SER C C 176.318 0.000 1 1129 92 93 SER CA C 60.871 0.000 1 1130 92 93 SER CB C 61.575 0.000 1 1131 92 93 SER N N 112.826 0.000 1 1132 93 94 ALA H H 7.058 0.000 1 1133 93 94 ALA HA H 4.357 0.000 1 1134 93 94 ALA HB H 1.659 0.000 . 1135 93 94 ALA C C 180.789 0.000 1 1136 93 94 ALA CA C 54.841 0.000 1 1137 93 94 ALA CB C 18.603 0.000 1 1138 93 94 ALA N N 126.735 0.000 1 1139 94 95 ILE H H 7.872 0.000 1 1140 94 95 ILE HA H 4.063 0.000 1 1141 94 95 ILE HB H 2.167 0.000 1 1142 94 95 ILE HG12 H 1.376 0.000 2 1143 94 95 ILE HG13 H 1.642 0.000 2 1144 94 95 ILE HG2 H 0.994 0.000 . 1145 94 95 ILE HD1 H 0.778 0.000 . 1146 94 95 ILE C C 178.326 0.000 1 1147 94 95 ILE CA C 62.755 0.000 1 1148 94 95 ILE CB C 36.410 0.000 1 1149 94 95 ILE CG1 C 27.013 0.005 1 1150 94 95 ILE CG2 C 19.120 0.000 1 1151 94 95 ILE CD1 C 10.983 0.000 1 1152 94 95 ILE N N 118.720 0.000 1 1153 95 96 TYR H H 8.841 0.000 1 1154 95 96 TYR HA H 4.007 0.000 1 1155 95 96 TYR HB2 H 3.017 0.000 2 1156 95 96 TYR HB3 H 3.160 0.000 2 1157 95 96 TYR HD1 H 7.037 0.001 3 1158 95 96 TYR HD2 H 7.037 0.001 3 1159 95 96 TYR HE1 H 6.864 0.000 3 1160 95 96 TYR HE2 H 6.864 0.000 3 1161 95 96 TYR C C 176.022 0.000 1 1162 95 96 TYR CA C 62.187 0.000 1 1163 95 96 TYR CB C 39.093 0.002 1 1164 95 96 TYR CD1 C 133.483 0.000 3 1165 95 96 TYR CE1 C 118.134 0.000 3 1166 95 96 TYR N N 120.697 0.000 1 1167 96 97 GLN H H 7.757 0.000 1 1168 96 97 GLN HA H 3.778 0.000 1 1169 96 97 GLN HB2 H 2.178 0.000 2 1170 96 97 GLN HB3 H 2.219 0.000 2 1171 96 97 GLN HG2 H 2.577 0.000 2 1172 96 97 GLN HG3 H 2.577 0.000 2 1173 96 97 GLN HE21 H 7.571 0.001 2 1174 96 97 GLN HE22 H 6.934 0.001 2 1175 96 97 GLN C C 177.250 0.000 1 1176 96 97 GLN CA C 58.719 0.000 1 1177 96 97 GLN CB C 28.286 0.003 1 1178 96 97 GLN CG C 33.504 0.000 1 1179 96 97 GLN CD C 180.126 0.008 1 1180 96 97 GLN N N 114.982 0.000 1 1181 96 97 GLN NE2 N 112.043 0.001 1 1182 97 98 GLU H H 7.117 0.000 1 1183 97 98 GLU HA H 4.099 0.000 1 1184 97 98 GLU HB2 H 1.582 0.000 2 1185 97 98 GLU HB3 H 1.813 0.000 2 1186 97 98 GLU HG2 H 1.532 0.000 2 1187 97 98 GLU HG3 H 1.997 0.000 2 1188 97 98 GLU C C 178.140 0.000 1 1189 97 98 GLU CA C 57.886 0.000 1 1190 97 98 GLU CB C 31.589 0.003 1 1191 97 98 GLU CG C 35.644 0.004 1 1192 97 98 GLU N N 114.340 0.000 1 1193 98 99 HIS H H 8.247 0.000 1 1194 98 99 HIS HA H 4.829 0.000 1 1195 98 99 HIS HB2 H 2.800 0.000 2 1196 98 99 HIS HB3 H 3.232 0.000 2 1197 98 99 HIS HD2 H 7.028 0.001 1 1198 98 99 HIS HE1 H 7.868 0.000 1 1199 98 99 HIS C C 175.856 0.000 1 1200 98 99 HIS CA C 56.738 0.000 1 1201 98 99 HIS CB C 32.930 0.009 1 1202 98 99 HIS CD2 C 119.361 0.000 1 1203 98 99 HIS CE1 C 138.983 0.000 1 1204 98 99 HIS N N 113.377 0.000 1 1205 99 100 LYS H H 8.065 0.000 1 1206 99 100 LYS HA H 3.994 0.000 1 1207 99 100 LYS HB2 H 1.202 0.000 2 1208 99 100 LYS HB3 H 1.202 0.000 2 1209 99 100 LYS HG2 H 1.004 0.000 2 1210 99 100 LYS HG3 H 1.217 0.000 2 1211 99 100 LYS HD2 H 0.897 0.000 2 1212 99 100 LYS HD3 H 1.230 0.000 2 1213 99 100 LYS HE2 H 2.745 0.000 2 1214 99 100 LYS HE3 H 2.782 0.000 2 1215 99 100 LYS C C 174.832 0.000 1 1216 99 100 LYS CA C 57.693 0.000 1 1217 99 100 LYS CB C 31.703 0.000 1 1218 99 100 LYS CG C 22.528 0.017 1 1219 99 100 LYS CD C 29.340 0.000 1 1220 99 100 LYS CE C 42.255 0.001 1 1221 99 100 LYS N N 120.905 0.000 1 1222 100 101 ASP H H 9.027 0.000 1 1223 100 101 ASP HA H 4.765 0.000 1 1224 100 101 ASP HB2 H 3.183 0.000 2 1225 100 101 ASP HB3 H 3.891 0.000 2 1226 100 101 ASP C C 177.692 0.000 1 1227 100 101 ASP CA C 54.030 0.000 1 1228 100 101 ASP CB C 43.429 0.001 1 1229 100 101 ASP N N 124.188 0.000 1 1230 101 102 LYS H H 8.678 0.000 1 1231 101 102 LYS HA H 4.239 0.000 1 1232 101 102 LYS HB2 H 2.053 0.000 2 1233 101 102 LYS HB3 H 2.053 0.000 2 1234 101 102 LYS HG2 H 1.652 0.000 2 1235 101 102 LYS HG3 H 1.709 0.000 2 1236 101 102 LYS HD2 H 1.711 0.000 2 1237 101 102 LYS HD3 H 1.711 0.000 2 1238 101 102 LYS HE2 H 2.973 0.000 2 1239 101 102 LYS HE3 H 2.973 0.000 2 1240 101 102 LYS C C 178.053 0.000 1 1241 101 102 LYS CA C 59.482 0.000 1 1242 101 102 LYS CB C 32.821 0.000 1 1243 101 102 LYS CG C 25.607 0.007 1 1244 101 102 LYS CD C 29.069 0.000 1 1245 101 102 LYS CE C 42.123 0.000 1 1246 101 102 LYS N N 125.898 0.000 1 1247 102 103 ASP H H 10.276 0.000 1 1248 102 103 ASP HA H 4.127 0.000 1 1249 102 103 ASP HB2 H 2.619 0.000 2 1250 102 103 ASP HB3 H 2.817 0.000 2 1251 102 103 ASP C C 176.833 0.000 1 1252 102 103 ASP CA C 54.666 0.000 1 1253 102 103 ASP CB C 39.848 0.008 1 1254 102 103 ASP N N 119.326 0.000 1 1255 103 104 GLY H H 8.173 0.000 1 1256 103 104 GLY HA2 H 3.509 0.000 . 1257 103 104 GLY HA3 H 4.415 0.000 2 1258 103 104 GLY C C 174.655 0.000 1 1259 103 104 GLY CA C 45.319 0.002 1 1260 103 104 GLY N N 106.059 0.000 1 1261 104 105 PHE H H 9.600 0.000 1 1262 104 105 PHE HA H 4.682 0.000 1 1263 104 105 PHE HB2 H 2.090 0.000 2 1264 104 105 PHE HB3 H 3.541 0.000 2 1265 104 105 PHE HD1 H 7.056 0.003 3 1266 104 105 PHE HD2 H 7.056 0.003 3 1267 104 105 PHE HE1 H 7.200 0.000 3 1268 104 105 PHE HE2 H 7.200 0.000 3 1269 104 105 PHE HZ H 6.934 0.000 1 1270 104 105 PHE C C 174.830 0.000 1 1271 104 105 PHE CA C 59.377 0.000 1 1272 104 105 PHE CB C 39.938 0.007 1 1273 104 105 PHE CD1 C 132.618 0.000 3 1274 104 105 PHE CE1 C 130.543 0.000 3 1275 104 105 PHE CZ C 127.239 0.000 1 1276 104 105 PHE N N 121.781 0.000 1 1277 105 106 LEU H H 8.376 0.000 1 1278 105 106 LEU HA H 4.897 0.000 1 1279 105 106 LEU HB2 H 1.436 0.000 2 1280 105 106 LEU HB3 H 2.104 0.000 2 1281 105 106 LEU HG H 1.440 0.000 1 1282 105 106 LEU HD1 H 0.703 0.000 . 1283 105 106 LEU HD2 H 0.934 0.000 . 1284 105 106 LEU C C 173.947 0.000 1 1285 105 106 LEU CA C 53.463 0.000 1 1286 105 106 LEU CB C 45.066 0.001 1 1287 105 106 LEU CG C 27.317 0.000 1 1288 105 106 LEU CD1 C 26.136 0.000 2 1289 105 106 LEU CD2 C 24.301 0.000 2 1290 105 106 LEU N N 119.929 0.000 1 1291 106 107 TYR H H 9.124 0.000 1 1292 106 107 TYR HA H 4.992 0.000 1 1293 106 107 TYR HB2 H 2.927 0.000 2 1294 106 107 TYR HB3 H 3.111 0.000 2 1295 106 107 TYR HD1 H 7.315 0.001 3 1296 106 107 TYR HD2 H 7.315 0.001 3 1297 106 107 TYR HE1 H 7.286 0.000 3 1298 106 107 TYR HE2 H 7.286 0.000 3 1299 106 107 TYR C C 176.099 0.000 1 1300 106 107 TYR CA C 58.893 0.000 1 1301 106 107 TYR CB C 38.140 0.011 1 1302 106 107 TYR CD1 C 132.786 0.000 3 1303 106 107 TYR CE1 C 118.838 0.000 3 1304 106 107 TYR N N 127.637 0.000 1 1305 107 108 VAL H H 9.560 0.000 1 1306 107 108 VAL HA H 5.135 0.000 1 1307 107 108 VAL HB H 2.252 0.000 1 1308 107 108 VAL HG1 H 0.851 0.000 . 1309 107 108 VAL HG2 H 0.934 0.000 . 1310 107 108 VAL C C 175.722 0.000 1 1311 107 108 VAL CA C 59.587 0.000 1 1312 107 108 VAL CB C 34.787 0.000 1 1313 107 108 VAL CG1 C 20.911 0.000 2 1314 107 108 VAL CG2 C 22.171 0.000 2 1315 107 108 VAL N N 121.630 0.000 1 1316 108 109 THR H H 9.061 0.000 1 1317 108 109 THR HA H 6.155 0.000 1 1318 108 109 THR HB H 4.045 0.000 1 1319 108 109 THR HG2 H 1.237 0.000 . 1320 108 109 THR C C 174.158 0.000 1 1321 108 109 THR CA C 59.869 0.000 1 1322 108 109 THR CB C 72.268 0.000 1 1323 108 109 THR CG2 C 22.350 0.000 1 1324 108 109 THR N N 119.845 0.000 1 1325 109 110 TYR H H 8.461 0.000 1 1326 109 110 TYR HA H 6.332 0.000 1 1327 109 110 TYR HB2 H 2.596 0.000 2 1328 109 110 TYR HB3 H 2.917 0.000 2 1329 109 110 TYR HD1 H 6.833 0.003 3 1330 109 110 TYR HD2 H 6.833 0.003 3 1331 109 110 TYR HE1 H 6.632 0.000 3 1332 109 110 TYR HE2 H 6.632 0.000 3 1333 109 110 TYR HH H 9.706 0.003 1 1334 109 110 TYR C C 173.366 0.000 1 1335 109 110 TYR CA C 54.655 0.000 1 1336 109 110 TYR CB C 42.250 0.023 1 1337 109 110 TYR CD1 C 132.976 0.000 3 1338 109 110 TYR CE1 C 117.460 0.000 3 1339 109 110 TYR N N 119.706 0.000 1 1340 110 111 SER H H 9.089 0.000 1 1341 110 111 SER HA H 4.745 0.000 1 1342 110 111 SER HB2 H 3.851 0.000 2 1343 110 111 SER HB3 H 3.978 0.000 2 1344 110 111 SER C C 173.692 0.000 1 1345 110 111 SER CA C 56.044 0.000 1 1346 110 111 SER CB C 66.177 0.001 1 1347 110 111 SER N N 112.907 0.000 1 1348 111 112 GLY H H 8.443 0.000 1 1349 111 112 GLY HA2 H 3.859 0.000 . 1350 111 112 GLY HA3 H 4.846 0.000 2 1351 111 112 GLY C C 173.331 0.000 1 1352 111 112 GLY CA C 45.341 0.002 1 1353 111 112 GLY N N 111.054 0.000 1 1354 112 113 GLU H H 8.413 0.000 1 1355 112 113 GLU HA H 4.660 0.000 1 1356 112 113 GLU HB2 H 1.978 0.000 2 1357 112 113 GLU HB3 H 2.054 0.000 2 1358 112 113 GLU HG2 H 2.297 0.000 2 1359 112 113 GLU HG3 H 2.191 0.000 2 1360 112 113 GLU C C 174.538 0.000 1 1361 112 113 GLU CA C 55.642 0.000 1 1362 112 113 GLU CB C 32.930 0.016 1 1363 112 113 GLU CG C 36.455 0.001 1 1364 112 113 GLU N N 118.801 0.000 1 1365 113 114 ASN H H 8.207 0.000 1 1366 113 114 ASN HA H 4.187 0.000 1 1367 113 114 ASN HB2 H 1.647 0.000 2 1368 113 114 ASN HB3 H 1.921 0.000 2 1369 113 114 ASN HD21 H 7.001 0.002 2 1370 113 114 ASN HD22 H 6.540 0.001 2 1371 113 114 ASN C C 175.011 0.000 1 1372 113 114 ASN CA C 51.910 0.000 1 1373 113 114 ASN CB C 36.865 0.004 1 1374 113 114 ASN N N 118.152 0.000 1 1375 113 114 ASN ND2 N 109.422 0.000 1 1376 114 115 THR H H 7.411 0.000 1 1377 114 115 THR HA H 4.190 0.000 1 1378 114 115 THR HB H 3.959 0.000 1 1379 114 115 THR HG2 H 0.960 0.000 . 1380 114 115 THR C C 173.575 0.000 1 1381 114 115 THR CA C 61.149 0.000 1 1382 114 115 THR CB C 69.859 0.000 1 1383 114 115 THR CG2 C 21.291 0.000 1 1384 114 115 THR N N 112.887 0.000 1 1385 115 116 PHE H H 8.021 0.000 1 1386 115 116 PHE HA H 4.451 0.000 1 1387 115 116 PHE HB2 H 3.038 0.000 2 1388 115 116 PHE HB3 H 2.776 0.000 2 1389 115 116 PHE HD1 H 6.969 0.000 3 1390 115 116 PHE HD2 H 6.969 0.000 3 1391 115 116 PHE HE1 H 7.076 0.000 3 1392 115 116 PHE HE2 H 7.076 0.000 3 1393 115 116 PHE HZ H 7.081 0.000 1 1394 115 116 PHE C C 175.078 0.000 1 1395 115 116 PHE CA C 57.681 0.000 1 1396 115 116 PHE CB C 39.569 0.018 1 1397 115 116 PHE CD1 C 131.558 0.000 3 1398 115 116 PHE CE1 C 131.319 0.000 3 1399 115 116 PHE CZ C 129.552 0.000 1 1400 115 116 PHE N N 121.474 0.000 1 1401 116 117 GLY H H 7.712 0.000 1 1402 116 117 GLY HA2 H 3.659 0.000 2 1403 116 117 GLY HA3 H 3.659 0.000 2 1404 116 117 GLY CA C 46.190 0.000 1 1405 116 117 GLY N N 116.271 0.000 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $13C_15N_Atg8K26P $13C_15N_Atg7C30 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ATG7C30 _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 1 597 1 GLY HA2 H 3.977 0.000 2 2 597 1 GLY HA3 H 3.977 0.000 2 3 597 1 GLY CA C 43.440 0.000 1 4 598 2 PRO HA H 4.457 0.000 1 5 598 2 PRO HB2 H 1.852 0.000 2 6 598 2 PRO HB3 H 2.262 0.000 2 7 598 2 PRO HG2 H 1.933 0.000 2 8 598 2 PRO HG3 H 2.003 0.000 2 9 598 2 PRO HD2 H 3.549 0.000 2 10 598 2 PRO HD3 H 3.568 0.000 2 11 598 2 PRO C C 176.564 0.000 1 12 598 2 PRO CA C 63.064 0.000 1 13 598 2 PRO CB C 32.327 0.000 1 14 598 2 PRO CG C 26.973 0.000 1 15 598 2 PRO CD C 49.652 0.002 1 16 599 3 HIS H H 8.536 0.000 1 17 599 3 HIS HA H 4.655 0.000 1 18 599 3 HIS HB2 H 3.109 0.000 2 19 599 3 HIS HB3 H 3.159 0.000 2 20 599 3 HIS HD2 H 7.105 0.000 1 21 599 3 HIS HE1 H 8.079 0.000 1 22 599 3 HIS CA C 56.012 0.000 1 23 599 3 HIS CB C 30.329 0.001 1 24 599 3 HIS CD2 C 119.930 0.000 1 25 599 3 HIS CE1 C 137.896 0.000 1 26 599 3 HIS N N 119.871 0.000 1 27 600 4 MET H H 8.344 0.000 1 28 600 4 MET HA H 4.507 0.000 1 29 600 4 MET HB2 H 1.975 0.000 2 30 600 4 MET HB3 H 2.035 0.000 2 31 600 4 MET HG2 H 2.471 0.000 2 32 600 4 MET HG3 H 2.530 0.000 2 33 600 4 MET HE H 2.074 0.000 . 34 600 4 MET C C 175.825 0.000 1 35 600 4 MET CA C 55.390 0.000 1 36 600 4 MET CB C 33.136 0.002 1 37 600 4 MET CG C 31.901 0.001 1 38 600 4 MET CE C 17.021 0.000 1 39 600 4 MET N N 122.524 0.000 1 40 601 5 ILE H H 8.304 0.000 1 41 601 5 ILE HA H 4.216 0.000 1 42 601 5 ILE HB H 1.877 0.000 1 43 601 5 ILE HG12 H 1.186 0.000 2 44 601 5 ILE HG13 H 1.473 0.000 2 45 601 5 ILE HG2 H 0.916 0.000 . 46 601 5 ILE HD1 H 0.859 0.000 . 47 601 5 ILE C C 176.153 0.000 1 48 601 5 ILE CA C 61.155 0.000 1 49 601 5 ILE CB C 38.811 0.000 1 50 601 5 ILE CG1 C 27.274 0.001 1 51 601 5 ILE CG2 C 17.600 0.000 1 52 601 5 ILE CD1 C 12.995 0.000 1 53 601 5 ILE N N 122.607 0.000 1 54 602 6 SER H H 8.442 0.000 1 55 602 6 SER HA H 4.457 0.000 1 56 602 6 SER HB2 H 3.887 0.000 2 57 602 6 SER HB3 H 3.887 0.000 2 58 602 6 SER C C 174.979 0.000 1 59 602 6 SER CA C 58.465 0.000 1 60 602 6 SER CB C 63.954 0.000 1 61 602 6 SER N N 120.153 0.000 1 62 603 7 GLY H H 8.468 0.000 1 63 603 7 GLY HA2 H 3.978 0.000 2 64 603 7 GLY HA3 H 3.978 0.000 2 65 603 7 GLY C C 174.088 0.000 1 66 603 7 GLY CA C 45.491 0.000 1 67 603 7 GLY N N 110.866 0.000 1 68 604 8 LEU H H 8.057 0.000 1 69 604 8 LEU HA H 4.384 0.000 1 70 604 8 LEU HB2 H 1.608 0.000 2 71 604 8 LEU HB3 H 1.608 0.000 2 72 604 8 LEU HG H 1.606 0.000 1 73 604 8 LEU HD1 H 0.863 0.000 . 74 604 8 LEU HD2 H 0.910 0.000 . 75 604 8 LEU C C 177.404 0.000 1 76 604 8 LEU CA C 55.254 0.000 1 77 604 8 LEU CB C 42.665 0.000 1 78 604 8 LEU CG C 26.997 0.000 1 79 604 8 LEU CD1 C 23.621 0.000 2 80 604 8 LEU CD2 C 24.960 0.000 2 81 604 8 LEU N N 121.311 0.000 1 82 605 9 SER H H 8.301 0.000 1 83 605 9 SER HA H 4.474 0.000 1 84 605 9 SER HB2 H 3.853 0.000 2 85 605 9 SER HB3 H 3.853 0.000 2 86 605 9 SER C C 174.472 0.000 1 87 605 9 SER CA C 58.482 0.000 1 88 605 9 SER CB C 63.719 0.000 1 89 605 9 SER N N 116.752 0.000 1 90 606 10 VAL H H 8.082 0.000 1 91 606 10 VAL HA H 4.130 0.000 1 92 606 10 VAL HB H 2.080 0.000 1 93 606 10 VAL HG1 H 0.906 0.000 . 94 606 10 VAL HG2 H 0.920 0.000 . 95 606 10 VAL C C 176.077 0.000 1 96 606 10 VAL CA C 62.519 0.000 1 97 606 10 VAL CB C 32.778 0.000 1 98 606 10 VAL CG1 C 21.195 0.000 2 99 606 10 VAL CG2 C 20.602 0.000 2 100 606 10 VAL N N 121.969 0.000 1 101 607 11 ILE H H 8.130 0.000 1 102 607 11 ILE HA H 4.149 0.000 1 103 607 11 ILE HB H 1.843 0.000 1 104 607 11 ILE HG12 H 1.202 0.000 2 105 607 11 ILE HG13 H 1.484 0.000 2 106 607 11 ILE HG2 H 0.889 0.000 . 107 607 11 ILE HD1 H 0.842 0.000 . 108 607 11 ILE C C 176.140 0.000 1 109 607 11 ILE CA C 61.155 0.000 1 110 607 11 ILE CB C 38.482 0.000 1 111 607 11 ILE CG1 C 27.465 0.002 1 112 607 11 ILE CG2 C 17.526 0.000 1 113 607 11 ILE CD1 C 12.743 0.000 1 114 607 11 ILE N N 124.453 0.000 1 115 608 12 LYS H H 8.359 0.000 1 116 608 12 LYS HA H 4.283 0.000 1 117 608 12 LYS HB2 H 1.753 0.000 2 118 608 12 LYS HB3 H 1.821 0.000 2 119 608 12 LYS HG2 H 1.374 0.000 2 120 608 12 LYS HG3 H 1.443 0.000 2 121 608 12 LYS HD2 H 1.671 0.000 2 122 608 12 LYS HD3 H 1.671 0.000 2 123 608 12 LYS HE2 H 2.981 0.000 2 124 608 12 LYS HE3 H 2.981 0.000 2 125 608 12 LYS C C 176.411 0.000 1 126 608 12 LYS CA C 56.557 0.000 1 127 608 12 LYS CB C 33.135 0.001 1 128 608 12 LYS CG C 24.837 0.000 1 129 608 12 LYS CD C 29.185 0.000 1 130 608 12 LYS CE C 42.137 0.000 1 131 608 12 LYS N N 125.812 0.000 1 132 609 13 GLN H H 8.411 0.000 1 133 609 13 GLN HA H 4.302 0.000 1 134 609 13 GLN HB2 H 1.985 0.000 2 135 609 13 GLN HB3 H 2.088 0.000 2 136 609 13 GLN HG2 H 2.361 0.000 2 137 609 13 GLN HG3 H 2.361 0.000 2 138 609 13 GLN HE21 H 6.873 0.001 2 139 609 13 GLN HE22 H 7.556 0.000 2 140 609 13 GLN C C 176.080 0.000 1 141 609 13 GLN CA C 56.187 0.000 1 142 609 13 GLN CB C 29.652 0.003 1 143 609 13 GLN CG C 33.931 0.000 1 144 609 13 GLN CD C 180.299 0.012 1 145 609 13 GLN N N 121.878 0.000 1 146 609 13 GLN NE2 N 112.352 0.000 1 147 610 14 GLU H H 8.466 0.000 1 148 610 14 GLU HA H 4.305 0.000 1 149 610 14 GLU HB2 H 1.953 0.000 2 150 610 14 GLU HB3 H 2.013 0.000 2 151 610 14 GLU HG2 H 2.240 0.000 2 152 610 14 GLU HG3 H 2.285 0.000 2 153 610 14 GLU C C 176.712 0.000 1 154 610 14 GLU CA C 56.879 0.000 1 155 610 14 GLU CB C 30.247 0.000 1 156 610 14 GLU CG C 36.222 0.003 1 157 610 14 GLU N N 122.374 0.000 1 158 611 15 VAL H H 8.119 0.000 1 159 611 15 VAL HA H 4.049 0.000 1 160 611 15 VAL HB H 2.081 0.000 1 161 611 15 VAL HG1 H 0.938 0.000 . 162 611 15 VAL HG2 H 0.921 0.000 . 163 611 15 VAL C C 176.324 0.000 1 164 611 15 VAL CA C 62.800 0.000 1 165 611 15 VAL CB C 32.741 0.000 1 166 611 15 VAL CG1 C 20.832 0.000 2 167 611 15 VAL CG2 C 21.278 0.000 2 168 611 15 VAL N N 120.329 0.000 1 169 612 16 GLU H H 8.391 0.000 1 170 612 16 GLU HA H 4.230 0.000 1 171 612 16 GLU HB2 H 1.952 0.000 2 172 612 16 GLU HB3 H 2.037 0.000 2 173 612 16 GLU HG2 H 2.222 0.000 2 174 612 16 GLU HG3 H 2.276 0.000 2 175 612 16 GLU C C 176.450 0.000 1 176 612 16 GLU CA C 56.996 0.000 1 177 612 16 GLU CB C 30.273 0.002 1 178 612 16 GLU CG C 36.417 0.005 1 179 612 16 GLU N N 123.835 0.000 1 180 613 17 ARG H H 8.255 0.000 1 181 613 17 ARG HA H 4.320 0.000 1 182 613 17 ARG HB2 H 1.765 0.000 2 183 613 17 ARG HB3 H 1.848 0.000 2 184 613 17 ARG HG2 H 1.576 0.000 2 185 613 17 ARG HG3 H 1.632 0.000 2 186 613 17 ARG HD2 H 3.168 0.000 2 187 613 17 ARG HD3 H 3.168 0.000 2 188 613 17 ARG HE H 7.287 0.000 1 189 613 17 ARG C C 176.228 0.000 1 190 613 17 ARG CA C 56.218 0.000 1 191 613 17 ARG CB C 30.827 0.002 1 192 613 17 ARG CG C 27.237 0.005 1 193 613 17 ARG CD C 43.398 0.000 1 194 613 17 ARG CZ C 159.641 0.000 1 195 613 17 ARG N N 121.915 0.000 1 196 613 17 ARG NE N 84.706 0.000 1 197 614 18 LEU H H 8.267 0.000 1 198 614 18 LEU HA H 4.330 0.000 1 199 614 18 LEU HB2 H 1.528 0.000 2 200 614 18 LEU HB3 H 1.679 0.000 2 201 614 18 LEU HG H 1.619 0.000 1 202 614 18 LEU HD1 H 0.833 0.000 . 203 614 18 LEU HD2 H 0.893 0.000 . 204 614 18 LEU C C 177.738 0.000 1 205 614 18 LEU CA C 55.245 0.000 1 206 614 18 LEU CB C 42.358 0.000 1 207 614 18 LEU CG C 27.004 0.000 1 208 614 18 LEU CD1 C 23.497 0.000 2 209 614 18 LEU CD2 C 25.249 0.000 2 210 614 18 LEU N N 123.052 0.000 1 211 615 19 GLY H H 8.346 0.000 1 212 615 19 GLY HA2 H 3.948 0.000 2 213 615 19 GLY HA3 H 3.948 0.000 2 214 615 19 GLY C C 173.926 0.000 1 215 615 19 GLY CA C 45.395 0.000 1 216 615 19 GLY N N 109.092 0.000 1 217 616 20 ASN H H 8.314 0.000 1 218 616 20 ASN HA H 4.698 0.000 1 219 616 20 ASN HB2 H 2.726 0.000 2 220 616 20 ASN HB3 H 2.820 0.000 2 221 616 20 ASN HD21 H 6.892 0.000 2 222 616 20 ASN HD22 H 7.582 0.002 2 223 616 20 ASN C C 174.953 0.000 1 224 616 20 ASN CA C 53.490 0.000 1 225 616 20 ASN CB C 39.112 0.001 1 226 616 20 ASN CG C 176.928 0.011 1 227 616 20 ASN N N 118.277 0.000 1 228 616 20 ASN ND2 N 112.742 0.002 1 229 617 21 ASP H H 8.421 0.000 1 230 617 21 ASP HA H 4.586 0.000 1 231 617 21 ASP HB2 H 2.602 0.000 2 232 617 21 ASP HB3 H 2.636 0.000 2 233 617 21 ASP C C 175.972 0.000 1 234 617 21 ASP CA C 54.363 0.000 1 235 617 21 ASP CB C 41.166 0.005 1 236 617 21 ASP N N 119.904 0.000 1 237 618 22 VAL H H 7.882 0.000 1 238 618 22 VAL HA H 4.035 0.000 1 239 618 22 VAL HB H 2.009 0.000 1 240 618 22 VAL HG1 H 0.792 0.000 . 241 618 22 VAL HG2 H 0.802 0.000 . 242 618 22 VAL C C 175.551 0.000 1 243 618 22 VAL CA C 62.255 0.000 1 244 618 22 VAL CB C 32.818 0.000 1 245 618 22 VAL CG1 C 21.414 0.000 2 246 618 22 VAL CG2 C 20.564 0.000 2 247 618 22 VAL N N 118.639 0.000 1 248 619 23 PHE H H 8.223 0.000 1 249 619 23 PHE HA H 4.618 0.000 1 250 619 23 PHE HB2 H 2.901 0.000 2 251 619 23 PHE HB3 H 2.967 0.000 2 252 619 23 PHE HD1 H 7.194 0.000 3 253 619 23 PHE HD2 H 7.194 0.000 3 254 619 23 PHE HE1 H 7.229 0.000 3 255 619 23 PHE HE2 H 7.229 0.000 3 256 619 23 PHE HZ H 7.115 0.000 1 257 619 23 PHE C C 175.634 0.000 1 258 619 23 PHE CA C 57.318 0.000 1 259 619 23 PHE CB C 39.558 0.000 1 260 619 23 PHE CD1 C 131.770 0.000 3 261 619 23 PHE CE1 C 131.434 0.000 3 262 619 23 PHE CZ C 129.649 0.000 1 263 619 23 PHE N N 122.033 0.000 1 264 620 24 GLU H H 8.273 0.000 1 265 620 24 GLU HA H 4.267 0.000 1 266 620 24 GLU HB2 H 1.962 0.000 2 267 620 24 GLU HB3 H 1.962 0.000 2 268 620 24 GLU HG2 H 2.163 0.000 2 269 620 24 GLU HG3 H 2.163 0.000 2 270 620 24 GLU C C 175.851 0.000 1 271 620 24 GLU CA C 56.767 0.000 1 272 620 24 GLU CB C 30.511 0.000 1 273 620 24 GLU CG C 36.215 0.000 1 274 620 24 GLU N N 121.922 0.000 1 275 621 25 TRP H H 7.850 0.000 1 276 621 25 TRP HA H 4.680 0.000 1 277 621 25 TRP HB2 H 2.952 0.000 2 278 621 25 TRP HB3 H 3.184 0.000 2 279 621 25 TRP HD1 H 7.267 0.000 1 280 621 25 TRP HE1 H 10.396 0.000 1 281 621 25 TRP HE3 H 7.556 0.000 1 282 621 25 TRP HZ2 H 7.338 0.000 1 283 621 25 TRP HZ3 H 7.043 0.000 1 284 621 25 TRP HH2 H 7.011 0.000 1 285 621 25 TRP C C 176.040 0.000 1 286 621 25 TRP CA C 56.697 0.000 1 287 621 25 TRP CB C 32.374 0.009 1 288 621 25 TRP CD1 C 127.632 0.000 1 289 621 25 TRP CE3 C 121.316 0.000 1 290 621 25 TRP CZ2 C 114.764 0.000 1 291 621 25 TRP CZ3 C 121.411 0.000 1 292 621 25 TRP CH2 C 124.074 0.000 1 293 621 25 TRP N N 120.736 0.000 1 294 621 25 TRP NE1 N 130.565 0.000 1 295 622 26 GLU H H 8.027 0.000 1 296 622 26 GLU HA H 4.151 0.000 1 297 622 26 GLU HB2 H 1.752 0.000 2 298 622 26 GLU HB3 H 1.823 0.000 2 299 622 26 GLU HG2 H 1.964 0.000 2 300 622 26 GLU HG3 H 1.999 0.000 2 301 622 26 GLU C C 175.641 0.000 1 302 622 26 GLU CA C 57.093 0.000 1 303 622 26 GLU CB C 30.434 0.002 1 304 622 26 GLU CG C 36.209 0.003 1 305 622 26 GLU N N 122.552 0.000 1 306 623 27 ASP H H 8.141 0.000 1 307 623 27 ASP HA H 4.628 0.000 1 308 623 27 ASP HB2 H 2.550 0.000 2 309 623 27 ASP HB3 H 2.731 0.000 2 310 623 27 ASP C C 175.769 0.000 1 311 623 27 ASP CA C 54.152 0.000 1 312 623 27 ASP CB C 41.861 0.005 1 313 623 27 ASP N N 120.965 0.000 1 314 624 28 ASP H H 8.241 0.000 1 315 624 28 ASP HA H 4.602 0.000 1 316 624 28 ASP HB2 H 2.655 0.000 2 317 624 28 ASP HB3 H 2.655 0.000 2 318 624 28 ASP C C 176.588 0.000 1 319 624 28 ASP CA C 54.630 0.000 1 320 624 28 ASP CB C 41.514 0.000 1 321 624 28 ASP N N 120.962 0.000 1 322 625 29 GLU H H 8.519 0.000 1 323 625 29 GLU HA H 4.305 0.000 1 324 625 29 GLU HB2 H 1.965 0.000 2 325 625 29 GLU HB3 H 2.115 0.000 2 326 625 29 GLU HG2 H 2.230 0.000 2 327 625 29 GLU HG3 H 2.285 0.000 2 328 625 29 GLU C C 176.461 0.000 1 329 625 29 GLU CA C 56.767 0.000 1 330 625 29 GLU CB C 30.248 0.006 1 331 625 29 GLU CG C 36.440 0.004 1 332 625 29 GLU N N 121.292 0.000 1 333 626 30 SER H H 8.323 0.000 1 334 626 30 SER HA H 4.423 0.000 1 335 626 30 SER HB2 H 3.846 0.000 2 336 626 30 SER HB3 H 3.917 0.000 2 337 626 30 SER C C 174.341 0.000 1 338 626 30 SER CA C 58.514 0.000 1 339 626 30 SER CB C 63.953 0.004 1 340 626 30 SER N N 116.111 0.000 1 341 627 31 ASP H H 8.278 0.000 1 342 627 31 ASP HA H 4.617 0.000 1 343 627 31 ASP HB2 H 2.628 0.000 2 344 627 31 ASP HB3 H 2.727 0.000 2 345 627 31 ASP C C 176.004 0.000 1 346 627 31 ASP CA C 54.410 0.000 1 347 627 31 ASP CB C 41.348 0.003 1 348 627 31 ASP N N 122.546 0.000 1 349 628 32 GLU H H 8.217 0.000 1 350 628 32 GLU HA H 4.250 0.000 1 351 628 32 GLU HB2 H 1.953 0.000 2 352 628 32 GLU HB3 H 2.055 0.000 2 353 628 32 GLU HG2 H 2.230 0.000 2 354 628 32 GLU HG3 H 2.319 0.000 2 355 628 32 GLU C C 176.322 0.000 1 356 628 32 GLU CA C 57.273 0.000 1 357 628 32 GLU CB C 30.493 0.003 1 358 628 32 GLU CG C 36.276 0.004 1 359 628 32 GLU N N 120.743 0.000 1 360 629 33 ILE H H 8.073 0.000 1 361 629 33 ILE HA H 3.975 0.000 1 362 629 33 ILE HB H 1.550 0.000 1 363 629 33 ILE HG12 H 0.970 0.000 2 364 629 33 ILE HG13 H 1.100 0.000 2 365 629 33 ILE HG2 H 0.523 0.000 . 366 629 33 ILE HD1 H 0.552 0.000 . 367 629 33 ILE C C 173.873 0.000 1 368 629 33 ILE CA C 60.199 0.000 1 369 629 33 ILE CB C 37.477 0.000 1 370 629 33 ILE CG1 C 26.808 0.001 1 371 629 33 ILE CG2 C 17.014 0.000 1 372 629 33 ILE CD1 C 13.088 0.000 1 373 629 33 ILE N N 120.905 0.000 1 374 630 34 ALA H H 7.726 0.000 1 375 630 34 ALA HA H 4.242 0.000 1 376 630 34 ALA HB H 1.350 0.000 . 377 630 34 ALA CA C 53.488 0.000 1 378 630 34 ALA CB C 21.059 0.000 1 379 630 34 ALA N N 132.760 0.000 1 stop_ save_