data_17412 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; GABARAPL-1 NBR1-LIR complex structure ; _BMRB_accession_number 17412 _BMRB_flat_file_name bmr17412.str _Entry_type original _Submission_date 2011-01-17 _Accession_date 2011-01-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR solution structure of the complex between a MAP1LC3 protein, GABARAPL-1, and the LIR motif of NBR1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rogov Vladimir V. . 2 Rozenknop Alexis . . 3 Rogova Natalia Y. . 4 Loehr Frank . . 5 Guentert Peter . . 6 Dikic Ivan . . 7 Doetsch Volker . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 755 "13C chemical shifts" 506 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-01 update BMRB 'update entry citation' 2011-06-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Characterization of the Interaction of GABARAPL-1 with the LIR Motif of NBR1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21620860 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rozenknop Alexis . . 2 Rogov Vladimir V. . 3 Rogova 'Natalia Yu' . . 4 Lohr Frank . . 5 Guntert Peter . . 6 Dikic Ivan . . 7 Dotsch Volker . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 410 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 477 _Page_last 487 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GABARAPL-1 and NBR1-LIR complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GABARAPL-1 $GABARAPL-1 NBR1-LIR $NBR1-LIR 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_GABARAPL-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GABARAPL-1 _Molecular_mass 14268.327 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GSPEFKFQYKEDHPFEYRKK EGEKIRKKYPDRVPVIVEKA PKARVPDLDKRKYLVPSDLT VGQFYFLIRKRIHLRPEDAL FFFVNNTIPPTSATMGQLYE DNHEEDYFLYVAYSDESVY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 PRO 4 0 GLU 5 1 PHE 6 2 LYS 7 3 PHE 8 4 GLN 9 5 TYR 10 6 LYS 11 7 GLU 12 8 ASP 13 9 HIS 14 10 PRO 15 11 PHE 16 12 GLU 17 13 TYR 18 14 ARG 19 15 LYS 20 16 LYS 21 17 GLU 22 18 GLY 23 19 GLU 24 20 LYS 25 21 ILE 26 22 ARG 27 23 LYS 28 24 LYS 29 25 TYR 30 26 PRO 31 27 ASP 32 28 ARG 33 29 VAL 34 30 PRO 35 31 VAL 36 32 ILE 37 33 VAL 38 34 GLU 39 35 LYS 40 36 ALA 41 37 PRO 42 38 LYS 43 39 ALA 44 40 ARG 45 41 VAL 46 42 PRO 47 43 ASP 48 44 LEU 49 45 ASP 50 46 LYS 51 47 ARG 52 48 LYS 53 49 TYR 54 50 LEU 55 51 VAL 56 52 PRO 57 53 SER 58 54 ASP 59 55 LEU 60 56 THR 61 57 VAL 62 58 GLY 63 59 GLN 64 60 PHE 65 61 TYR 66 62 PHE 67 63 LEU 68 64 ILE 69 65 ARG 70 66 LYS 71 67 ARG 72 68 ILE 73 69 HIS 74 70 LEU 75 71 ARG 76 72 PRO 77 73 GLU 78 74 ASP 79 75 ALA 80 76 LEU 81 77 PHE 82 78 PHE 83 79 PHE 84 80 VAL 85 81 ASN 86 82 ASN 87 83 THR 88 84 ILE 89 85 PRO 90 86 PRO 91 87 THR 92 88 SER 93 89 ALA 94 90 THR 95 91 MET 96 92 GLY 97 93 GLN 98 94 LEU 99 95 TYR 100 96 GLU 101 97 ASP 102 98 ASN 103 99 HIS 104 100 GLU 105 101 GLU 106 102 ASP 107 103 TYR 108 104 PHE 109 105 LEU 110 106 TYR 111 107 VAL 112 108 ALA 113 109 TYR 114 110 SER 115 111 ASP 116 112 GLU 117 113 SER 118 114 VAL 119 115 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 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 2L8J "Gabarapl-1 Nbr1-Lir Complex Structure" 99.16 119 100.00 100.00 1.87e-78 PDB 2R2Q "Crystal Structure Of Human Gamma-Aminobutyric Acid Receptor- Associated Protein-Like 1 (Gabarap1), Isoform Cra_a" 91.60 110 100.00 100.00 1.20e-71 DBJ BAA95100 "unnamed protein product [Mus musculus]" 96.64 117 99.13 99.13 2.20e-75 DBJ BAB27950 "unnamed protein product [Mus musculus]" 96.64 117 99.13 99.13 2.20e-75 DBJ BAB29146 "unnamed protein product [Mus musculus]" 96.64 117 99.13 99.13 2.20e-75 DBJ BAB29690 "unnamed protein product [Mus musculus]" 96.64 117 99.13 99.13 2.20e-75 DBJ BAB31345 "unnamed protein product [Mus musculus]" 96.64 117 99.13 99.13 2.20e-75 EMBL CAB66611 "hypothetical protein [Homo sapiens]" 96.64 117 99.13 99.13 2.20e-75 EMBL CAG38511 "GABARAPL1 [Homo sapiens]" 96.64 117 99.13 99.13 2.20e-75 EMBL CAH89636 "hypothetical protein [Pongo abelii]" 96.64 117 98.26 98.26 3.68e-74 EMBL CAL38063 "hypothetical protein [synthetic construct]" 96.64 117 99.13 99.13 2.20e-75 EMBL CAL38067 "hypothetical protein, partial [synthetic construct]" 96.64 117 99.13 99.13 2.20e-75 GB AAH04602 "Gamma-aminobutyric acid (GABA(A)) receptor-associated protein-like 1 [Mus musculus]" 96.64 117 99.13 99.13 2.20e-75 GB AAH09309 "GABA(A) receptor-associated protein like 1 [Homo sapiens]" 96.64 117 99.13 99.13 2.20e-75 GB AAH24706 "Gamma-aminobutyric acid (GABA(A)) receptor-associated protein-like 1 [Mus musculus]" 96.64 117 98.26 99.13 8.71e-75 GB AAH28315 "GABA(A) receptor-associated protein like 1 [Homo sapiens]" 96.64 117 99.13 99.13 2.20e-75 GB AAH72921 "MGC80393 protein [Xenopus laevis]" 96.64 117 99.13 99.13 2.20e-75 REF NP_001025652 "gamma-aminobutyric acid receptor-associated protein-like 1 [Xenopus (Silurana) tropicalis]" 96.64 117 99.13 99.13 2.20e-75 REF NP_001028788 "gamma-aminobutyric acid receptor-associated protein-like 1 [Bos taurus]" 96.64 117 99.13 99.13 2.20e-75 REF NP_001037759 "gamma-aminobutyric acid receptor-associated protein-like 1 [Rattus norvegicus]" 96.64 117 99.13 99.13 2.20e-75 REF NP_001085553 "GABA(A) receptor-associated protein like 1 [Xenopus laevis]" 96.64 117 99.13 99.13 2.20e-75 REF NP_001088067 "GABA(A) receptor-associated protein like 1 [Xenopus laevis]" 96.64 117 99.13 99.13 2.20e-75 SP P60518 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein-like 1; AltName: Full=GABA(A) receptor-associated protein-lik" 96.64 117 99.13 99.13 2.20e-75 SP Q0VGK0 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein-like 1; AltName: Full=GABA(A) receptor-associated protein-lik" 96.64 117 99.13 99.13 2.20e-75 SP Q5BIZ2 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein-like 1; AltName: Full=GABA(A) receptor-associated protein-lik" 96.64 117 99.13 99.13 2.20e-75 SP Q5RF21 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein-like 1; AltName: Full=GABA(A) receptor-associated protein-lik" 96.64 117 98.26 98.26 3.68e-74 SP Q6GQ27 "RecName: Full=Gamma-aminobutyric acid receptor-associated protein-like 1; AltName: Full=GABA(A) receptor-associated protein-lik" 96.64 117 99.13 99.13 2.20e-75 TPG DAA29267 "TPA: gamma-aminobutyric acid receptor-associated protein-like 1 [Bos taurus]" 96.64 117 99.13 99.13 2.20e-75 stop_ save_ save_NBR1-LIR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NBR1-LIR _Molecular_mass 1840.027 _Mol_thiol_state 'not present' _Details . _Residue_count 18 _Mol_residue_sequence GAMGSASSEDYIIILPES loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 722 GLY 2 723 ALA 3 724 MET 4 725 GLY 5 726 SER 6 727 ALA 7 728 SER 8 729 SER 9 730 GLU 10 731 ASP 11 732 TYR 12 733 ILE 13 734 ILE 14 735 ILE 15 736 LEU 16 737 PRO 17 738 GLU 18 739 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2013-12-02 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 2L8J "Gabarapl-1 Nbr1-Lir Complex Structure" 100.00 18 100.00 100.00 3.10e-02 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GABARAPL-1 . . Eukaryota Metazoa Homo sapiens $NBR1-LIR . . 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 $GABARAPL-1 'recombinant technology' . Escherichia coli NEBT7 pGEX4T1 $NBR1-LIR 'recombinant technology' . Escherichia coli NEBT7 pET60m_Ub 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 $GABARAPL-1 0.6 mM '[U-98% 15N]' $NBR1-LIR 0.9 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 4.6 mM 'natural abundance' 'protease inhibitor cocktail' 1 mM 'natural abundance' DSS 0.3 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GABARAPL-1 0.6 mM '[U-98% 13C; U-98% 15N]' $NBR1-LIR 0.9 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 4.6 mM 'natural abundance' 'protease inhibitor cocktail' 1 mM 'natural abundance' DSS 0.3 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GABARAPL-1 0.9 mM 'natural abundance' $NBR1-LIR 0.6 mM '[U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 4.6 mM 'natural abundance' 'protease inhibitor cocktail' 1 mM 'natural abundance' DSS 0.3 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GABARAPL-1 0.9 mM 'natural abundance' $NBR1-LIR 0.6 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 4.6 mM 'natural abundance' 'protease inhibitor cocktail' 1 mM 'natural abundance' DSS 0.3 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CSI _Saveframe_category software _Name CSI _Version . loop_ _Vendor _Address _Electronic_address 'Wishart, D. S. & Sykes, B. D.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_OPAL _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _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-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_TROSY-H(CCCO)NH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-H(CCCO)NH-TOCSY _Sample_label $sample_2 save_ save_(H)CC(CO)NH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _Sample_label $sample_2 save_ save_3D_HNCA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_4 save_ save_3D_HNCACB_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_4 save_ save_3D_1H-15N_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ save_3D_H(C)CH-TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $sample_4 save_ save_TROSY-H(CCCO)NH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-H(CCCO)NH-TOCSY _Sample_label $sample_4 save_ save_(H)CC(CO)NH-TOCSY_21 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _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' 0.1 . M pH 7.0 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $citations $citations DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $citations $citations DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $citations $citations 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' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' TROSY-H(CCCO)NH-TOCSY (H)CC(CO)NH-TOCSY '3D H(C)CH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GABARAPL-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -1 3 PRO HA H 4.286 0.020 1 2 -1 3 PRO HB2 H 1.984 0.020 2 3 -1 3 PRO HB3 H 1.843 0.020 2 4 -1 3 PRO HG2 H 1.840 0.020 2 5 -1 3 PRO HG3 H 1.610 0.020 2 6 -1 3 PRO HD2 H 3.655 0.020 2 7 -1 3 PRO HD3 H 3.655 0.020 2 8 -1 3 PRO C C 176.190 0.400 1 9 -1 3 PRO CA C 63.200 0.400 1 10 -1 3 PRO CB C 31.860 0.400 1 11 -1 3 PRO CG C 27.270 0.400 1 12 -1 3 PRO CD C 50.530 0.400 1 13 0 4 GLU H H 8.245 0.020 1 14 0 4 GLU HA H 4.185 0.020 1 15 0 4 GLU HB2 H 1.843 0.020 2 16 0 4 GLU HB3 H 1.843 0.020 2 17 0 4 GLU HG2 H 2.127 0.020 2 18 0 4 GLU HG3 H 2.127 0.020 2 19 0 4 GLU C C 175.680 0.400 1 20 0 4 GLU CA C 56.151 0.400 1 21 0 4 GLU CB C 30.390 0.400 1 22 0 4 GLU CG C 36.192 0.400 1 23 0 4 GLU N N 120.766 0.400 1 24 1 5 PHE H H 8.139 0.020 1 25 1 5 PHE HA H 4.348 0.020 1 26 1 5 PHE HB2 H 2.809 0.020 2 27 1 5 PHE HB3 H 2.809 0.020 2 28 1 5 PHE HD1 H 6.734 0.020 3 29 1 5 PHE HD2 H 6.734 0.020 3 30 1 5 PHE C C 174.612 0.400 1 31 1 5 PHE CA C 57.477 0.400 1 32 1 5 PHE CB C 39.381 0.400 1 33 1 5 PHE N N 122.365 0.400 1 34 2 6 LYS H H 7.923 0.020 1 35 2 6 LYS HA H 4.427 0.020 1 36 2 6 LYS HB2 H 1.645 0.020 2 37 2 6 LYS HB3 H 1.574 0.020 2 38 2 6 LYS HG2 H 1.355 0.020 2 39 2 6 LYS HG3 H 1.297 0.020 2 40 2 6 LYS HD2 H 1.579 0.020 2 41 2 6 LYS HD3 H 1.579 0.020 2 42 2 6 LYS C C 175.064 0.400 1 43 2 6 LYS CA C 55.171 0.400 1 44 2 6 LYS CB C 33.291 0.400 1 45 2 6 LYS CG C 24.512 0.400 1 46 2 6 LYS CD C 29.022 0.400 1 47 2 6 LYS CE C 42.105 0.400 1 48 2 6 LYS N N 124.903 0.400 1 49 3 7 PHE H H 8.417 0.020 1 50 3 7 PHE HA H 4.537 0.020 1 51 3 7 PHE HB2 H 2.624 0.020 2 52 3 7 PHE HB3 H 3.199 0.020 2 53 3 7 PHE HD1 H 7.294 0.020 3 54 3 7 PHE HD2 H 7.294 0.020 3 55 3 7 PHE HE1 H 7.404 0.020 3 56 3 7 PHE HE2 H 7.404 0.020 3 57 3 7 PHE CA C 58.298 0.400 1 58 3 7 PHE CB C 39.777 0.400 1 59 3 7 PHE CD2 C 131.675 0.400 3 60 3 7 PHE CE2 C 131.788 0.400 3 61 3 7 PHE N N 123.201 0.400 1 62 5 9 TYR HB2 H 3.440 0.020 2 63 5 9 TYR HB3 H 2.744 0.020 2 64 5 9 TYR HD1 H 7.183 0.020 3 65 5 9 TYR HE1 H 6.225 0.020 3 66 5 9 TYR HE2 H 6.225 0.020 3 67 5 9 TYR CD1 C 133.055 0.400 3 68 5 9 TYR CE1 C 117.941 0.400 3 69 9 13 HIS HD2 H 6.376 0.020 1 70 9 13 HIS CD2 C 128.179 0.400 1 71 11 15 PHE HA H 3.985 0.020 1 72 11 15 PHE HB2 H 3.473 0.020 2 73 11 15 PHE HB3 H 3.006 0.020 2 74 11 15 PHE HD1 H 7.315 0.020 3 75 11 15 PHE HD2 H 7.315 0.020 3 76 11 15 PHE C C 175.911 0.400 1 77 11 15 PHE CA C 63.038 0.400 1 78 11 15 PHE CB C 39.655 0.400 1 79 11 15 PHE CD1 C 131.930 0.400 3 80 12 16 GLU H H 9.514 0.020 1 81 12 16 GLU HA H 3.732 0.020 1 82 12 16 GLU HB2 H 2.100 0.020 2 83 12 16 GLU HB3 H 2.027 0.020 2 84 12 16 GLU HG2 H 2.427 0.020 2 85 12 16 GLU HG3 H 2.427 0.020 2 86 12 16 GLU C C 178.856 0.400 1 87 12 16 GLU CA C 60.168 0.400 1 88 12 16 GLU CB C 28.899 0.400 1 89 12 16 GLU CG C 36.569 0.400 1 90 12 16 GLU N N 115.891 0.400 1 91 13 17 TYR H H 6.972 0.020 1 92 13 17 TYR HA H 4.202 0.020 1 93 13 17 TYR HB2 H 3.280 0.020 2 94 13 17 TYR HB3 H 3.195 0.020 2 95 13 17 TYR HD1 H 6.985 0.020 3 96 13 17 TYR HD2 H 6.985 0.020 3 97 13 17 TYR CA C 60.635 0.400 1 98 13 17 TYR CB C 37.988 0.400 1 99 13 17 TYR CD1 C 132.868 0.400 3 100 13 17 TYR N N 118.519 0.400 1 101 14 18 ARG H H 8.050 0.020 1 102 15 19 LYS H H 8.840 0.020 1 103 15 19 LYS HA H 4.375 0.020 1 104 15 19 LYS HB2 H 1.454 0.020 2 105 15 19 LYS HB3 H 0.956 0.020 2 106 15 19 LYS HG2 H 1.509 0.020 2 107 15 19 LYS HG3 H 1.431 0.020 2 108 15 19 LYS HD2 H 1.764 0.020 2 109 15 19 LYS HD3 H 1.648 0.020 2 110 15 19 LYS HE2 H 3.073 0.020 2 111 15 19 LYS HE3 H 2.800 0.020 2 112 15 19 LYS C C 178.200 0.400 1 113 15 19 LYS CA C 58.963 0.400 1 114 15 19 LYS CB C 32.146 0.400 1 115 15 19 LYS CG C 25.277 0.400 1 116 15 19 LYS CD C 30.100 0.400 1 117 15 19 LYS CE C 42.485 0.400 1 118 15 19 LYS N N 118.047 0.400 1 119 16 20 LYS H H 7.289 0.020 1 120 16 20 LYS HA H 4.084 0.020 1 121 16 20 LYS HB2 H 1.852 0.020 2 122 16 20 LYS HB3 H 1.852 0.020 2 123 16 20 LYS HG2 H 1.444 0.020 2 124 16 20 LYS HG3 H 1.581 0.020 2 125 16 20 LYS HD2 H 1.679 0.020 2 126 16 20 LYS HD3 H 1.679 0.020 2 127 16 20 LYS HE2 H 2.956 0.020 2 128 16 20 LYS HE3 H 2.956 0.020 2 129 16 20 LYS C C 179.543 0.400 1 130 16 20 LYS CA C 59.294 0.400 1 131 16 20 LYS CB C 32.311 0.400 1 132 16 20 LYS CG C 25.326 0.400 1 133 16 20 LYS CD C 29.302 0.400 1 134 16 20 LYS CE C 42.075 0.400 1 135 16 20 LYS N N 117.328 0.400 1 136 17 21 GLU H H 7.743 0.020 1 137 17 21 GLU HA H 4.024 0.020 1 138 17 21 GLU HB2 H 1.856 0.020 2 139 17 21 GLU HB3 H 2.200 0.020 2 140 17 21 GLU HG2 H 2.240 0.020 2 141 17 21 GLU HG3 H 2.315 0.020 2 142 17 21 GLU C C 178.826 0.400 1 143 17 21 GLU CA C 59.539 0.400 1 144 17 21 GLU CB C 28.993 0.400 1 145 17 21 GLU CG C 36.364 0.400 1 146 17 21 GLU N N 120.014 0.400 1 147 18 22 GLY H H 9.483 0.020 1 148 18 22 GLY HA2 H 4.005 0.020 2 149 18 22 GLY HA3 H 3.090 0.020 2 150 18 22 GLY CA C 47.067 0.400 1 151 18 22 GLY N N 110.613 0.400 1 152 19 23 GLU H H 8.531 0.020 1 153 19 23 GLU HA H 3.285 0.020 1 154 19 23 GLU HB2 H 1.905 0.020 2 155 19 23 GLU HB3 H 1.815 0.020 2 156 19 23 GLU HG2 H 2.205 0.020 2 157 19 23 GLU HG3 H 1.885 0.020 2 158 19 23 GLU C C 179.404 0.400 1 159 19 23 GLU CA C 59.460 0.400 1 160 19 23 GLU CB C 30.030 0.400 1 161 19 23 GLU CG C 37.172 0.400 1 162 19 23 GLU N N 119.879 0.400 1 163 20 24 LYS H H 7.505 0.020 1 164 20 24 LYS HA H 3.867 0.020 1 165 20 24 LYS HB2 H 1.921 0.020 2 166 20 24 LYS HB3 H 1.550 0.020 2 167 20 24 LYS HG2 H 1.350 0.020 2 168 20 24 LYS HG3 H 1.350 0.020 2 169 20 24 LYS C C 179.743 0.400 1 170 20 24 LYS CA C 58.631 0.400 1 171 20 24 LYS CB C 33.621 0.400 1 172 20 24 LYS N N 118.556 0.400 1 173 21 25 ILE HA H 4.285 0.020 1 174 21 25 ILE HB H 1.976 0.020 1 175 21 25 ILE HG12 H 1.265 0.020 2 176 21 25 ILE HG13 H 1.101 0.020 2 177 21 25 ILE HG2 H 0.398 0.020 1 178 21 25 ILE HD1 H 0.720 0.020 1 179 21 25 ILE CA C 61.420 0.400 1 180 21 25 ILE CB C 37.690 0.400 1 181 21 25 ILE CG1 C 26.180 0.400 1 182 21 25 ILE CG2 C 18.050 0.400 1 183 21 25 ILE CD1 C 13.430 0.400 1 184 22 26 ARG HA H 4.081 0.020 1 185 22 26 ARG HB2 H 1.750 0.020 2 186 22 26 ARG HB3 H 1.450 0.020 2 187 22 26 ARG HG2 H 1.583 0.020 2 188 22 26 ARG HG3 H 1.583 0.020 2 189 22 26 ARG HD2 H 3.235 0.020 2 190 22 26 ARG HD3 H 3.110 0.020 2 191 22 26 ARG CA C 56.660 0.400 1 192 22 26 ARG CB C 28.250 0.400 1 193 22 26 ARG CG C 26.571 0.400 1 194 22 26 ARG CD C 41.347 0.400 1 195 23 27 LYS H H 7.280 0.020 1 196 23 27 LYS HA H 3.952 0.020 1 197 23 27 LYS HB2 H 1.763 0.020 2 198 23 27 LYS HB3 H 1.561 0.020 2 199 23 27 LYS HG2 H 1.441 0.020 2 200 23 27 LYS HG3 H 1.347 0.020 2 201 23 27 LYS HD2 H 1.561 0.020 2 202 23 27 LYS HD3 H 1.441 0.020 2 203 23 27 LYS HE2 H 2.885 0.020 2 204 23 27 LYS HE3 H 2.885 0.020 2 205 23 27 LYS C C 178.065 0.400 1 206 23 27 LYS CA C 58.120 0.400 1 207 23 27 LYS CB C 32.600 0.400 1 208 23 27 LYS CG C 25.260 0.400 1 209 23 27 LYS CD C 29.110 0.400 1 210 23 27 LYS CE C 42.090 0.400 1 211 23 27 LYS N N 117.328 0.400 1 212 24 28 LYS H H 7.632 0.020 1 213 24 28 LYS HA H 3.769 0.020 1 214 24 28 LYS HB2 H 1.571 0.020 2 215 24 28 LYS HB3 H 1.352 0.020 2 216 24 28 LYS HG2 H 0.970 0.020 2 217 24 28 LYS HG3 H 0.520 0.020 2 218 24 28 LYS HD2 H 1.457 0.020 2 219 24 28 LYS HD3 H 1.405 0.020 2 220 24 28 LYS HE2 H 2.825 0.020 2 221 24 28 LYS HE3 H 2.825 0.020 2 222 24 28 LYS C C 176.300 0.400 1 223 24 28 LYS CA C 58.560 0.400 1 224 24 28 LYS CB C 33.660 0.400 1 225 24 28 LYS CG C 24.980 0.400 1 226 24 28 LYS CD C 29.420 0.400 1 227 24 28 LYS CE C 42.980 0.400 1 228 24 28 LYS N N 118.808 0.400 1 229 25 29 TYR H H 7.654 0.020 1 230 25 29 TYR HA H 5.000 0.020 1 231 25 29 TYR HB2 H 2.724 0.020 2 232 25 29 TYR HB3 H 2.609 0.020 2 233 25 29 TYR HD1 H 7.024 0.020 3 234 25 29 TYR HD2 H 7.024 0.020 3 235 25 29 TYR HE1 H 6.621 0.020 3 236 25 29 TYR HE2 H 6.621 0.020 3 237 25 29 TYR CA C 54.017 0.400 1 238 25 29 TYR CB C 38.840 0.400 1 239 25 29 TYR CD1 C 133.880 0.400 3 240 25 29 TYR CE1 C 117.379 0.400 3 241 25 29 TYR N N 114.470 0.400 1 242 26 30 PRO HA H 4.475 0.020 1 243 26 30 PRO HB2 H 2.295 0.020 2 244 26 30 PRO HB3 H 1.914 0.020 2 245 26 30 PRO HG2 H 1.921 0.020 2 246 26 30 PRO HG3 H 1.921 0.020 2 247 26 30 PRO HD2 H 3.574 0.020 2 248 26 30 PRO HD3 H 3.273 0.020 2 249 26 30 PRO C C 177.157 0.400 1 250 26 30 PRO CA C 64.703 0.400 1 251 26 30 PRO CB C 31.967 0.400 1 252 26 30 PRO CG C 27.262 0.400 1 253 26 30 PRO CD C 49.909 0.400 1 254 27 31 ASP H H 8.555 0.020 1 255 27 31 ASP HA H 4.669 0.020 1 256 27 31 ASP HB2 H 2.841 0.020 2 257 27 31 ASP HB3 H 2.677 0.020 2 258 27 31 ASP C C 175.434 0.400 1 259 27 31 ASP CA C 53.211 0.400 1 260 27 31 ASP CB C 40.290 0.400 1 261 27 31 ASP N N 115.244 0.400 1 262 28 32 ARG H H 7.795 0.020 1 263 28 32 ARG HA H 4.900 0.020 1 264 28 32 ARG HB2 H 1.315 0.020 2 265 28 32 ARG HB3 H 1.160 0.020 2 266 28 32 ARG C C 174.316 0.400 1 267 28 32 ARG CA C 53.684 0.400 1 268 28 32 ARG CB C 34.332 0.400 1 269 28 32 ARG CG C 28.084 0.400 1 270 28 32 ARG CD C 43.190 0.400 1 271 28 32 ARG N N 119.386 0.400 1 272 29 33 VAL H H 8.945 0.020 1 273 29 33 VAL HA H 4.262 0.020 1 274 29 33 VAL HB H 1.320 0.020 1 275 29 33 VAL HG1 H 0.290 0.020 2 276 29 33 VAL HG2 H 0.500 0.020 2 277 29 33 VAL CA C 56.505 0.400 1 278 29 33 VAL CB C 33.500 0.400 1 279 29 33 VAL CG1 C 22.010 0.400 2 280 29 33 VAL N N 114.109 0.400 1 281 30 34 PRO HA H 5.233 0.020 1 282 30 34 PRO HB2 H 2.065 0.020 2 283 30 34 PRO HB3 H 1.595 0.020 2 284 30 34 PRO HG2 H 2.601 0.020 2 285 30 34 PRO HG3 H 1.445 0.020 2 286 30 34 PRO HD2 H 3.336 0.020 2 287 30 34 PRO HD3 H 3.366 0.020 2 288 30 34 PRO C C 175.054 0.400 1 289 30 34 PRO CA C 61.359 0.400 1 290 30 34 PRO CB C 31.714 0.400 1 291 30 34 PRO CG C 26.455 0.400 1 292 30 34 PRO CD C 50.403 0.400 1 293 31 35 VAL H H 9.186 0.020 1 294 31 35 VAL HA H 5.000 0.020 1 295 31 35 VAL HB H 1.787 0.020 1 296 31 35 VAL HG1 H 0.685 0.020 2 297 31 35 VAL HG2 H 0.597 0.020 2 298 31 35 VAL C C 174.155 0.400 1 299 31 35 VAL CA C 60.110 0.400 1 300 31 35 VAL CB C 36.022 0.400 1 301 31 35 VAL CG1 C 22.836 0.400 2 302 31 35 VAL CG2 C 22.764 0.400 2 303 31 35 VAL N N 123.563 0.400 1 304 32 36 ILE H H 8.905 0.020 1 305 32 36 ILE HA H 5.040 0.020 1 306 32 36 ILE HB H 1.435 0.020 1 307 32 36 ILE HG12 H 0.726 0.020 2 308 32 36 ILE HG13 H 0.726 0.020 2 309 32 36 ILE HG2 H 0.806 0.020 1 310 32 36 ILE HD1 H -0.540 0.020 1 311 32 36 ILE C C 175.179 0.400 1 312 32 36 ILE CA C 57.074 0.400 1 313 32 36 ILE CB C 36.840 0.400 1 314 32 36 ILE CG1 C 26.347 0.400 1 315 32 36 ILE CG2 C 17.644 0.400 1 316 32 36 ILE CD1 C 8.991 0.400 1 317 32 36 ILE N N 128.757 0.400 1 318 33 37 VAL H H 9.059 0.020 1 319 33 37 VAL HA H 5.684 0.020 1 320 33 37 VAL HB H 2.050 0.020 1 321 33 37 VAL HG1 H 0.851 0.020 2 322 33 37 VAL HG2 H 0.794 0.020 2 323 33 37 VAL C C 175.706 0.400 1 324 33 37 VAL CA C 60.151 0.400 1 325 33 37 VAL CB C 33.615 0.400 1 326 33 37 VAL CG1 C 22.489 0.400 2 327 33 37 VAL CG2 C 22.489 0.400 2 328 33 37 VAL N N 126.771 0.400 1 329 34 38 GLU H H 8.784 0.020 1 330 34 38 GLU HA H 4.908 0.020 1 331 34 38 GLU HB2 H 2.297 0.020 2 332 34 38 GLU HB3 H 1.922 0.020 2 333 34 38 GLU HG2 H 2.584 0.020 2 334 34 38 GLU HG3 H 2.584 0.020 2 335 34 38 GLU C C 174.175 0.400 1 336 34 38 GLU CA C 55.058 0.400 1 337 34 38 GLU CB C 36.188 0.400 1 338 34 38 GLU CG C 38.443 0.400 1 339 34 38 GLU N N 122.024 0.400 1 340 35 39 LYS H H 8.637 0.020 1 341 35 39 LYS HA H 2.965 0.020 1 342 35 39 LYS HB2 H 1.666 0.020 2 343 35 39 LYS HB3 H 1.506 0.020 2 344 35 39 LYS HG2 H 1.637 0.020 2 345 35 39 LYS HG3 H 1.637 0.020 2 346 35 39 LYS HD2 H 1.409 0.020 2 347 35 39 LYS HD3 H 0.895 0.020 2 348 35 39 LYS HE2 H 2.997 0.020 2 349 35 39 LYS HE3 H 3.009 0.020 2 350 35 39 LYS C C 176.843 0.400 1 351 35 39 LYS CA C 55.730 0.400 1 352 35 39 LYS CB C 33.137 0.400 1 353 35 39 LYS CG C 23.072 0.400 1 354 35 39 LYS CD C 29.344 0.400 1 355 35 39 LYS CE C 41.882 0.400 1 356 35 39 LYS N N 122.712 0.400 1 357 36 40 ALA H H 8.718 0.020 1 358 36 40 ALA HA H 4.213 0.020 1 359 36 40 ALA HB H 1.227 0.020 1 360 36 40 ALA C C 176.255 0.400 1 361 36 40 ALA CA C 50.538 0.400 1 362 36 40 ALA CB C 17.615 0.400 1 363 36 40 ALA N N 129.833 0.400 1 364 37 41 PRO HA H 4.212 0.020 1 365 37 41 PRO HB2 H 2.313 0.020 2 366 37 41 PRO HB3 H 1.835 0.020 2 367 37 41 PRO HG2 H 1.885 0.020 2 368 37 41 PRO HG3 H 1.950 0.020 2 369 37 41 PRO HD2 H 3.515 0.020 2 370 37 41 PRO HD3 H 3.316 0.020 2 371 37 41 PRO C C 177.994 0.400 1 372 37 41 PRO CA C 65.312 0.400 1 373 37 41 PRO CB C 32.118 0.400 1 374 37 41 PRO CG C 27.665 0.400 1 375 37 41 PRO CD C 50.046 0.400 1 376 38 42 LYS H H 8.653 0.020 1 377 38 42 LYS HA H 4.132 0.020 1 378 38 42 LYS HB2 H 1.948 0.020 2 379 38 42 LYS HB3 H 1.867 0.020 2 380 38 42 LYS HG2 H 1.374 0.020 2 381 38 42 LYS HG3 H 1.374 0.020 2 382 38 42 LYS HD2 H 1.629 0.020 2 383 38 42 LYS HD3 H 1.629 0.020 2 384 38 42 LYS HE2 H 2.934 0.020 2 385 38 42 LYS HE3 H 2.934 0.020 2 386 38 42 LYS C C 176.761 0.400 1 387 38 42 LYS CA C 56.765 0.400 1 388 38 42 LYS CB C 31.463 0.400 1 389 38 42 LYS CG C 25.330 0.400 1 390 38 42 LYS CD C 29.022 0.400 1 391 38 42 LYS CE C 42.055 0.400 1 392 38 42 LYS N N 114.690 0.400 1 393 39 43 ALA H H 7.599 0.020 1 394 39 43 ALA HA H 4.545 0.020 1 395 39 43 ALA HB H 1.661 0.020 1 396 39 43 ALA C C 178.532 0.400 1 397 39 43 ALA CA C 52.646 0.400 1 398 39 43 ALA CB C 21.300 0.400 1 399 39 43 ALA N N 122.218 0.400 1 400 40 44 ARG H H 9.174 0.020 1 401 40 44 ARG HA H 4.537 0.020 1 402 40 44 ARG HB2 H 1.995 0.020 2 403 40 44 ARG HB3 H 1.880 0.020 2 404 40 44 ARG HG2 H 1.822 0.020 2 405 40 44 ARG HG3 H 1.656 0.020 2 406 40 44 ARG HD2 H 3.278 0.020 2 407 40 44 ARG HD3 H 3.244 0.020 2 408 40 44 ARG C C 176.084 0.400 1 409 40 44 ARG CA C 55.619 0.400 1 410 40 44 ARG CB C 28.976 0.400 1 411 40 44 ARG CG C 27.358 0.400 1 412 40 44 ARG CD C 43.432 0.400 1 413 40 44 ARG N N 125.425 0.400 1 414 41 45 VAL H H 6.916 0.020 1 415 41 45 VAL HA H 4.775 0.020 1 416 41 45 VAL HB H 2.308 0.020 1 417 41 45 VAL HG1 H 1.198 0.020 2 418 41 45 VAL HG2 H 1.029 0.020 2 419 41 45 VAL C C 172.466 0.400 1 420 41 45 VAL CA C 58.210 0.400 1 421 41 45 VAL CB C 33.069 0.400 1 422 41 45 VAL CG2 C 19.960 0.400 2 423 41 45 VAL N N 112.820 0.400 1 424 42 46 PRO HA H 4.502 0.020 1 425 42 46 PRO HB2 H 2.520 0.020 2 426 42 46 PRO HB3 H 1.860 0.020 2 427 42 46 PRO HG2 H 2.233 0.020 2 428 42 46 PRO HG3 H 1.989 0.020 2 429 42 46 PRO HD2 H 4.017 0.020 2 430 42 46 PRO HD3 H 3.434 0.020 2 431 42 46 PRO C C 176.227 0.400 1 432 42 46 PRO CA C 63.097 0.400 1 433 42 46 PRO CB C 32.979 0.400 1 434 42 46 PRO CG C 27.929 0.400 1 435 42 46 PRO CD C 51.354 0.400 1 436 43 47 ASP H H 8.350 0.020 1 437 43 47 ASP HA H 4.688 0.020 1 438 43 47 ASP HB2 H 2.724 0.020 2 439 43 47 ASP HB3 H 2.501 0.020 2 440 43 47 ASP C C 175.582 0.400 1 441 43 47 ASP CA C 54.450 0.400 1 442 43 47 ASP CB C 42.547 0.400 1 443 43 47 ASP N N 119.556 0.400 1 444 44 48 LEU H H 7.992 0.020 1 445 44 48 LEU HA H 4.337 0.020 1 446 44 48 LEU HB2 H 1.887 0.020 2 447 44 48 LEU HB3 H 1.836 0.020 2 448 44 48 LEU HG H 0.920 0.020 1 449 44 48 LEU HD1 H 0.940 0.020 2 450 44 48 LEU HD2 H 0.750 0.020 2 451 44 48 LEU CA C 54.593 0.400 1 452 44 48 LEU CB C 44.300 0.400 1 453 44 48 LEU CG C 26.060 0.400 1 454 44 48 LEU CD1 C 25.544 0.400 2 455 44 48 LEU N N 124.027 0.400 1 456 45 49 ASP H H 8.744 0.020 1 457 45 49 ASP HA H 4.352 0.020 1 458 45 49 ASP HB2 H 2.880 0.020 2 459 45 49 ASP HB3 H 2.744 0.020 2 460 45 49 ASP CA C 56.056 0.400 1 461 45 49 ASP CB C 39.997 0.400 1 462 45 49 ASP N N 121.978 0.400 1 463 46 50 LYS H H 7.476 0.020 1 464 46 50 LYS HA H 4.335 0.020 1 465 46 50 LYS HB2 H 1.810 0.020 2 466 46 50 LYS HB3 H 1.800 0.020 2 467 46 50 LYS HE2 H 2.827 0.020 2 468 46 50 LYS HE3 H 2.827 0.020 2 469 46 50 LYS CA C 54.176 0.400 1 470 46 50 LYS CB C 34.230 0.400 1 471 46 50 LYS N N 119.408 0.400 1 472 47 51 ARG H H 8.150 0.020 1 473 48 52 LYS H H 9.070 0.020 1 474 48 52 LYS HA H 5.082 0.020 1 475 48 52 LYS HB2 H 1.320 0.020 2 476 48 52 LYS HB3 H 1.310 0.020 2 477 48 52 LYS CA C 55.400 0.400 1 478 48 52 LYS CB C 33.941 0.400 1 479 49 53 TYR H H 9.645 0.020 1 480 49 53 TYR HA H 5.060 0.020 1 481 49 53 TYR HB2 H 2.822 0.020 2 482 49 53 TYR HB3 H 2.723 0.020 2 483 49 53 TYR HD1 H 6.960 0.020 3 484 49 53 TYR HD2 H 6.960 0.020 3 485 49 53 TYR HE1 H 6.585 0.020 3 486 49 53 TYR HE2 H 6.585 0.020 3 487 49 53 TYR CA C 57.270 0.400 1 488 49 53 TYR CB C 42.952 0.400 1 489 49 53 TYR CD1 C 132.665 0.400 3 490 49 53 TYR CE1 C 118.050 0.400 3 491 49 53 TYR N N 123.691 0.400 1 492 50 54 LEU H H 8.943 0.020 1 493 50 54 LEU HA H 4.947 0.020 1 494 50 54 LEU HB2 H 1.130 0.020 2 495 50 54 LEU HB3 H 1.110 0.020 2 496 50 54 LEU HG H 0.900 0.020 1 497 50 54 LEU HD1 H 0.070 0.020 2 498 50 54 LEU CA C 53.423 0.400 1 499 50 54 LEU CB C 44.002 0.400 1 500 50 54 LEU CG C 26.850 0.400 1 501 50 54 LEU CD1 C 24.321 0.400 2 502 50 54 LEU N N 123.011 0.400 1 503 51 55 VAL H H 8.726 0.020 1 504 51 55 VAL HA H 4.862 0.020 1 505 51 55 VAL HB H 1.315 0.020 1 506 51 55 VAL HG1 H 0.285 0.020 2 507 51 55 VAL CG1 C 21.960 0.400 2 508 52 56 PRO HA H 4.467 0.020 1 509 52 56 PRO HB2 H 2.610 0.020 2 510 52 56 PRO HB3 H 2.030 0.020 2 511 52 56 PRO HG2 H 2.120 0.020 2 512 52 56 PRO HD2 H 4.100 0.020 2 513 52 56 PRO HD3 H 4.100 0.020 2 514 52 56 PRO CA C 63.675 0.400 1 515 52 56 PRO CB C 32.372 0.400 1 516 52 56 PRO CG C 28.531 0.400 1 517 52 56 PRO CD C 51.407 0.400 1 518 53 57 SER H H 8.395 0.020 1 519 53 57 SER HA H 3.680 0.020 1 520 53 57 SER HB2 H 3.740 0.020 2 521 53 57 SER HB3 H 3.693 0.020 2 522 53 57 SER C C 174.682 0.400 1 523 53 57 SER CA C 61.308 0.400 1 524 53 57 SER CB C 62.923 0.400 1 525 53 57 SER N N 118.990 0.400 1 526 54 58 ASP H H 8.327 0.020 1 527 54 58 ASP HA H 4.548 0.020 1 528 54 58 ASP HB2 H 2.778 0.020 2 529 54 58 ASP HB3 H 2.665 0.020 2 530 54 58 ASP C C 176.366 0.400 1 531 54 58 ASP CA C 53.520 0.400 1 532 54 58 ASP CB C 40.191 0.400 1 533 54 58 ASP N N 115.343 0.400 1 534 55 59 LEU H H 7.377 0.020 1 535 55 59 LEU HA H 4.290 0.020 1 536 55 59 LEU HB2 H 1.681 0.020 2 537 55 59 LEU HB3 H 1.434 0.020 2 538 55 59 LEU HG H 0.849 0.020 1 539 55 59 LEU HD1 H 0.920 0.020 2 540 55 59 LEU HD2 H 0.980 0.020 2 541 55 59 LEU C C 177.089 0.400 1 542 55 59 LEU CA C 55.572 0.400 1 543 55 59 LEU CB C 43.770 0.400 1 544 55 59 LEU CG C 26.999 0.400 1 545 55 59 LEU CD1 C 25.514 0.400 2 546 55 59 LEU CD2 C 25.800 0.400 2 547 55 59 LEU N N 123.243 0.400 1 548 56 60 THR H H 8.750 0.020 1 549 56 60 THR HA H 4.935 0.020 1 550 56 60 THR HB H 4.192 0.020 1 551 56 60 THR HG2 H 1.262 0.020 1 552 56 60 THR C C 176.342 0.400 1 553 56 60 THR CA C 61.281 0.400 1 554 56 60 THR CB C 71.430 0.400 1 555 56 60 THR CG2 C 22.179 0.400 1 556 56 60 THR N N 116.283 0.400 1 557 57 61 VAL H H 9.101 0.020 1 558 57 61 VAL HA H 3.718 0.020 1 559 57 61 VAL HB H 2.324 0.020 1 560 57 61 VAL HG1 H 0.983 0.020 2 561 57 61 VAL HG2 H 0.831 0.020 2 562 57 61 VAL C C 178.799 0.400 1 563 57 61 VAL CA C 66.509 0.400 1 564 57 61 VAL CB C 31.611 0.400 1 565 57 61 VAL CG1 C 24.848 0.400 2 566 57 61 VAL CG2 C 22.156 0.400 2 567 57 61 VAL N N 122.900 0.400 1 568 58 62 GLY H H 8.953 0.020 1 569 58 62 GLY HA2 H 4.064 0.020 2 570 58 62 GLY HA3 H 3.840 0.020 2 571 58 62 GLY C C 176.438 0.400 1 572 58 62 GLY CA C 47.660 0.400 1 573 58 62 GLY N N 105.350 0.400 1 574 59 63 GLN H H 8.080 0.020 1 575 59 63 GLN HA H 4.253 0.020 1 576 59 63 GLN HB2 H 2.480 0.020 2 577 59 63 GLN HB3 H 2.056 0.020 2 578 59 63 GLN HG2 H 2.490 0.020 2 579 59 63 GLN HG3 H 2.490 0.020 2 580 59 63 GLN HE21 H 7.622 0.020 2 581 59 63 GLN HE22 H 6.877 0.020 2 582 59 63 GLN C C 179.186 0.400 1 583 59 63 GLN CA C 58.957 0.400 1 584 59 63 GLN CB C 29.022 0.400 1 585 59 63 GLN CG C 35.105 0.400 1 586 59 63 GLN N N 121.634 0.400 1 587 60 64 PHE H H 8.686 0.020 1 588 60 64 PHE HA H 4.432 0.020 1 589 60 64 PHE HB2 H 3.351 0.020 2 590 60 64 PHE HB3 H 3.126 0.020 2 591 60 64 PHE HD1 H 6.960 0.020 3 592 60 64 PHE HD2 H 6.960 0.020 3 593 60 64 PHE HE1 H 6.566 0.020 3 594 60 64 PHE HE2 H 6.566 0.020 3 595 60 64 PHE HZ H 6.387 0.020 1 596 60 64 PHE C C 177.163 0.400 1 597 60 64 PHE CA C 60.956 0.400 1 598 60 64 PHE CB C 39.405 0.400 1 599 60 64 PHE CD2 C 131.256 0.400 3 600 60 64 PHE CE2 C 130.029 0.400 3 601 60 64 PHE CZ C 128.732 0.400 1 602 60 64 PHE N N 123.410 0.400 1 603 61 65 TYR H H 9.135 0.020 1 604 61 65 TYR HA H 3.798 0.020 1 605 61 65 TYR HB2 H 2.935 0.020 2 606 61 65 TYR HB3 H 2.816 0.020 2 607 61 65 TYR HD1 H 6.119 0.020 3 608 61 65 TYR HD2 H 6.119 0.020 3 609 61 65 TYR HE1 H 6.125 0.020 3 610 61 65 TYR HE2 H 6.125 0.020 3 611 61 65 TYR C C 177.896 0.400 1 612 61 65 TYR CA C 61.135 0.400 1 613 61 65 TYR CB C 38.045 0.400 1 614 61 65 TYR CD1 C 131.880 0.400 3 615 61 65 TYR CE1 C 118.072 0.400 3 616 61 65 TYR N N 118.605 0.400 1 617 62 66 PHE H H 7.584 0.020 1 618 62 66 PHE HA H 3.960 0.020 1 619 62 66 PHE HB2 H 3.285 0.020 2 620 62 66 PHE HB3 H 3.186 0.020 2 621 62 66 PHE HD1 H 7.300 0.020 3 622 62 66 PHE HD2 H 7.300 0.020 3 623 62 66 PHE HE1 H 7.298 0.020 3 624 62 66 PHE HE2 H 7.298 0.020 3 625 62 66 PHE C C 178.488 0.400 1 626 62 66 PHE CA C 61.919 0.400 1 627 62 66 PHE CB C 38.751 0.400 1 628 62 66 PHE CD2 C 131.920 0.400 3 629 62 66 PHE N N 117.541 0.400 1 630 63 67 LEU H H 7.732 0.020 1 631 63 67 LEU HA H 3.959 0.020 1 632 63 67 LEU HB2 H 1.945 0.020 2 633 63 67 LEU HB3 H 1.510 0.020 2 634 63 67 LEU HG H 1.577 0.020 1 635 63 67 LEU HD1 H 1.000 0.020 2 636 63 67 LEU HD2 H 1.200 0.020 2 637 63 67 LEU CA C 58.072 0.400 1 638 63 67 LEU CB C 41.594 0.400 1 639 63 67 LEU CG C 26.762 0.400 1 640 63 67 LEU CD1 C 23.597 0.400 2 641 63 67 LEU CD2 C 23.597 0.400 2 642 63 67 LEU N N 119.371 0.400 1 643 64 68 ILE H H 7.966 0.020 1 644 64 68 ILE HA H 3.462 0.020 1 645 64 68 ILE HB H 1.754 0.020 1 646 64 68 ILE HG12 H 0.661 0.020 2 647 64 68 ILE HG13 H 0.252 0.020 2 648 64 68 ILE HG2 H 0.322 0.020 1 649 64 68 ILE HD1 H -0.161 0.020 1 650 64 68 ILE C C 177.690 0.400 1 651 64 68 ILE CA C 61.497 0.400 1 652 64 68 ILE CB C 34.450 0.400 1 653 64 68 ILE CG1 C 26.162 0.400 1 654 64 68 ILE CG2 C 16.945 0.400 1 655 64 68 ILE CD1 C 7.162 0.400 1 656 64 68 ILE N N 120.879 0.400 1 657 65 69 ARG H H 8.316 0.020 1 658 65 69 ARG HA H 3.314 0.020 1 659 65 69 ARG HB2 H 1.571 0.020 2 660 65 69 ARG HB3 H 1.000 0.020 2 661 65 69 ARG HG2 H 1.373 0.020 2 662 65 69 ARG HG3 H 1.303 0.020 2 663 65 69 ARG C C 178.410 0.400 1 664 65 69 ARG CA C 60.592 0.400 1 665 65 69 ARG CB C 29.604 0.400 1 666 65 69 ARG CG C 29.615 0.400 1 667 65 69 ARG CD C 43.232 0.400 1 668 65 69 ARG N N 118.159 0.400 1 669 66 70 LYS H H 7.258 0.020 1 670 66 70 LYS HA H 3.993 0.020 1 671 66 70 LYS HB2 H 1.744 0.020 2 672 66 70 LYS HB3 H 1.714 0.020 2 673 66 70 LYS HG2 H 1.353 0.020 2 674 66 70 LYS HG3 H 1.296 0.020 2 675 66 70 LYS HD2 H 1.584 0.020 2 676 66 70 LYS HD3 H 1.584 0.020 2 677 66 70 LYS HE2 H 2.900 0.020 2 678 66 70 LYS HE3 H 2.900 0.020 2 679 66 70 LYS C C 179.651 0.400 1 680 66 70 LYS CA C 58.694 0.400 1 681 66 70 LYS CB C 32.500 0.400 1 682 66 70 LYS CG C 24.774 0.400 1 683 66 70 LYS CD C 29.298 0.400 1 684 66 70 LYS CE C 41.935 0.400 1 685 66 70 LYS N N 115.289 0.400 1 686 67 71 ARG H H 7.515 0.020 1 687 67 71 ARG HA H 3.966 0.020 1 688 67 71 ARG HB2 H 1.891 0.020 2 689 67 71 ARG HB3 H 1.816 0.020 2 690 67 71 ARG HG2 H 1.601 0.020 2 691 67 71 ARG HG3 H 1.601 0.020 2 692 67 71 ARG HD2 H 3.258 0.020 2 693 67 71 ARG HD3 H 3.258 0.020 2 694 67 71 ARG C C 177.766 0.400 1 695 67 71 ARG CA C 58.978 0.400 1 696 67 71 ARG CB C 30.625 0.400 1 697 67 71 ARG CG C 29.150 0.400 1 698 67 71 ARG CD C 43.198 0.400 1 699 67 71 ARG N N 119.363 0.400 1 700 68 72 ILE H H 7.265 0.020 1 701 68 72 ILE HA H 4.285 0.020 1 702 68 72 ILE HB H 1.976 0.020 1 703 68 72 ILE HG12 H 1.242 0.020 2 704 68 72 ILE HG13 H 1.083 0.020 2 705 68 72 ILE HG2 H 0.728 0.020 1 706 68 72 ILE HD1 H 0.456 0.020 1 707 68 72 ILE C C 174.078 0.400 1 708 68 72 ILE CA C 61.424 0.400 1 709 68 72 ILE CB C 37.684 0.400 1 710 68 72 ILE CG1 C 26.176 0.400 1 711 68 72 ILE CG2 C 18.591 0.400 1 712 68 72 ILE CD1 C 14.381 0.400 1 713 68 72 ILE N N 110.048 0.400 1 714 69 73 HIS H H 7.328 0.020 1 715 69 73 HIS HA H 4.163 0.020 1 716 69 73 HIS HB2 H 3.339 0.020 2 717 69 73 HIS HB3 H 3.311 0.020 2 718 69 73 HIS HD2 H 7.021 0.020 1 719 69 73 HIS C C 175.009 0.400 1 720 69 73 HIS CA C 56.668 0.400 1 721 69 73 HIS CB C 26.605 0.400 1 722 69 73 HIS CD2 C 120.070 0.400 1 723 69 73 HIS N N 114.711 0.400 1 724 70 74 LEU H H 7.725 0.020 1 725 70 74 LEU HA H 4.437 0.020 1 726 70 74 LEU HB2 H 1.670 0.020 2 727 70 74 LEU HB3 H 1.306 0.020 2 728 70 74 LEU HG H 1.699 0.020 1 729 70 74 LEU HD1 H 0.795 0.020 2 730 70 74 LEU HD2 H 0.857 0.020 2 731 70 74 LEU C C 178.168 0.400 1 732 70 74 LEU CA C 54.869 0.400 1 733 70 74 LEU CB C 42.751 0.400 1 734 70 74 LEU CG C 27.159 0.400 1 735 70 74 LEU CD1 C 26.930 0.400 2 736 70 74 LEU CD2 C 23.096 0.400 2 737 70 74 LEU N N 118.295 0.400 1 738 71 75 ARG H H 9.171 0.020 1 739 71 75 ARG HA H 4.520 0.020 1 740 71 75 ARG HB2 H 2.100 0.020 2 741 71 75 ARG HB3 H 1.553 0.020 2 742 71 75 ARG HD2 H 3.279 0.020 2 743 71 75 ARG HD3 H 3.279 0.020 2 744 71 75 ARG C C 176.349 0.400 1 745 71 75 ARG CA C 54.603 0.400 1 746 71 75 ARG CB C 28.663 0.400 1 747 71 75 ARG N N 124.098 0.400 1 748 72 76 PRO HA H 4.087 0.020 1 749 72 76 PRO HB2 H 2.334 0.020 2 750 72 76 PRO HB3 H 1.850 0.020 2 751 72 76 PRO HG2 H 1.991 0.020 2 752 72 76 PRO HG3 H 2.183 0.020 2 753 72 76 PRO HD2 H 3.846 0.020 2 754 72 76 PRO HD3 H 3.764 0.020 2 755 72 76 PRO C C 177.532 0.400 1 756 72 76 PRO CA C 65.751 0.400 1 757 72 76 PRO CB C 31.848 0.400 1 758 72 76 PRO CG C 27.897 0.400 1 759 72 76 PRO CD C 50.031 0.400 1 760 73 77 GLU H H 8.945 0.020 1 761 73 77 GLU HA H 4.123 0.020 1 762 73 77 GLU HB2 H 2.007 0.020 2 763 73 77 GLU HB3 H 2.007 0.020 2 764 73 77 GLU HG2 H 2.217 0.020 2 765 73 77 GLU HG3 H 2.217 0.020 2 766 73 77 GLU C C 176.834 0.400 1 767 73 77 GLU CA C 57.400 0.400 1 768 73 77 GLU CB C 28.732 0.400 1 769 73 77 GLU CG C 36.012 0.400 1 770 73 77 GLU N N 112.238 0.400 1 771 74 78 ASP H H 7.677 0.020 1 772 74 78 ASP HA H 4.619 0.020 1 773 74 78 ASP HB2 H 2.813 0.020 2 774 74 78 ASP HB3 H 2.780 0.020 2 775 74 78 ASP C C 175.547 0.400 1 776 74 78 ASP CA C 54.924 0.400 1 777 74 78 ASP CB C 42.049 0.400 1 778 74 78 ASP N N 122.250 0.400 1 779 75 79 ALA H H 8.528 0.020 1 780 75 79 ALA HA H 4.106 0.020 1 781 75 79 ALA HB H 1.446 0.020 1 782 75 79 ALA C C 175.789 0.400 1 783 75 79 ALA CA C 52.199 0.400 1 784 75 79 ALA CB C 20.583 0.400 1 785 75 79 ALA N N 127.475 0.400 1 786 76 80 LEU H H 7.197 0.020 1 787 76 80 LEU HA H 4.522 0.020 1 788 76 80 LEU HB2 H 1.144 0.020 2 789 76 80 LEU HB3 H 1.171 0.020 2 790 76 80 LEU HG H 0.384 0.020 1 791 76 80 LEU HD1 H 0.899 0.020 2 792 76 80 LEU HD2 H 0.899 0.020 2 793 76 80 LEU C C 173.675 0.400 1 794 76 80 LEU CA C 55.137 0.400 1 795 76 80 LEU CB C 45.072 0.400 1 796 76 80 LEU CG C 26.368 0.400 1 797 76 80 LEU CD1 C 24.188 0.400 2 798 76 80 LEU CD2 C 24.188 0.400 2 799 76 80 LEU N N 116.920 0.400 1 800 77 81 PHE H H 9.311 0.020 1 801 77 81 PHE HA H 4.720 0.020 1 802 77 81 PHE HB2 H 2.596 0.020 2 803 77 81 PHE HB3 H 2.596 0.020 2 804 77 81 PHE HD1 H 6.953 0.020 3 805 77 81 PHE HD2 H 6.953 0.020 3 806 77 81 PHE HE1 H 7.245 0.020 3 807 77 81 PHE HE2 H 7.245 0.020 3 808 77 81 PHE C C 174.193 0.400 1 809 77 81 PHE CA C 57.109 0.400 1 810 77 81 PHE CB C 42.888 0.400 1 811 77 81 PHE CD2 C 132.319 0.400 3 812 77 81 PHE CE2 C 131.060 0.400 3 813 77 81 PHE N N 125.025 0.400 1 814 79 83 PHE H H 9.186 0.020 1 815 79 83 PHE HA H 5.125 0.020 1 816 79 83 PHE HB2 H 2.766 0.020 2 817 79 83 PHE HB3 H 2.766 0.020 2 818 79 83 PHE HD1 H 6.887 0.020 3 819 79 83 PHE HD2 H 6.887 0.020 3 820 79 83 PHE HE1 H 7.257 0.020 3 821 79 83 PHE HE2 H 7.257 0.020 3 822 79 83 PHE C C 176.419 0.400 1 823 79 83 PHE CA C 56.449 0.400 1 824 79 83 PHE CB C 43.298 0.400 1 825 79 83 PHE CD1 C 131.675 0.400 3 826 79 83 PHE CE1 C 131.215 0.400 3 827 79 83 PHE N N 113.475 0.400 1 828 78 82 PHE H H 8.163 0.020 1 829 78 82 PHE HA H 5.911 0.020 1 830 78 82 PHE HB2 H 2.866 0.020 2 831 78 82 PHE HB3 H 2.866 0.020 2 832 78 82 PHE HD1 H 6.887 0.020 3 833 78 82 PHE HD2 H 6.887 0.020 3 834 78 82 PHE HE1 H 6.836 0.020 3 835 78 82 PHE HE2 H 6.836 0.020 3 836 78 82 PHE HZ H 7.262 0.020 1 837 78 82 PHE C C 173.902 0.400 1 838 78 82 PHE CA C 52.621 0.400 1 839 78 82 PHE CB C 41.468 0.400 1 840 78 82 PHE CD2 C 131.676 0.400 3 841 78 82 PHE CE2 C 129.647 0.400 3 842 78 82 PHE CZ C 129.472 0.400 1 843 78 82 PHE N N 120.095 0.400 1 844 80 84 VAL H H 9.299 0.020 1 845 80 84 VAL HA H 4.596 0.020 1 846 80 84 VAL HB H 1.980 0.020 1 847 80 84 VAL HG1 H 1.056 0.020 2 848 80 84 VAL HG2 H 0.926 0.020 2 849 80 84 VAL C C 176.298 0.400 1 850 80 84 VAL CA C 60.980 0.400 1 851 80 84 VAL CB C 34.596 0.400 1 852 80 84 VAL CG1 C 21.950 0.400 2 853 80 84 VAL CG2 C 21.466 0.400 2 854 80 84 VAL N N 122.057 0.400 1 855 81 85 ASN H H 10.194 0.020 1 856 81 85 ASN HA H 4.370 0.020 1 857 81 85 ASN HB2 H 3.126 0.020 2 858 81 85 ASN HB3 H 2.748 0.020 2 859 81 85 ASN HD21 H 7.088 0.020 2 860 81 85 ASN C C 175.236 0.400 1 861 81 85 ASN CA C 55.269 0.400 1 862 81 85 ASN CB C 37.474 0.400 1 863 81 85 ASN N N 128.569 0.400 1 864 82 86 ASN H H 9.000 0.020 1 865 82 86 ASN HA H 4.238 0.020 1 866 82 86 ASN HB2 H 3.101 0.020 2 867 82 86 ASN HB3 H 3.021 0.020 2 868 82 86 ASN HD21 H 7.410 0.020 2 869 82 86 ASN HD22 H 6.821 0.020 2 870 82 86 ASN C C 174.024 0.400 1 871 82 86 ASN CA C 55.297 0.400 1 872 82 86 ASN CB C 38.115 0.400 1 873 82 86 ASN N N 109.130 0.400 1 874 83 87 THR H H 7.979 0.020 1 875 83 87 THR HA H 4.843 0.020 1 876 83 87 THR HB H 4.176 0.020 1 877 83 87 THR HG2 H 1.259 0.020 1 878 83 87 THR C C 172.723 0.400 1 879 83 87 THR CA C 61.030 0.400 1 880 83 87 THR CB C 72.137 0.400 1 881 83 87 THR CG2 C 21.313 0.400 1 882 83 87 THR N N 113.363 0.400 1 883 84 88 ILE H H 8.622 0.020 1 884 84 88 ILE HA H 5.200 0.020 1 885 84 88 ILE HB H 1.778 0.020 1 886 84 88 ILE HG12 H 1.472 0.020 2 887 84 88 ILE HG13 H 0.782 0.020 2 888 84 88 ILE HG2 H 1.143 0.020 1 889 84 88 ILE HD1 H 0.788 0.020 1 890 84 88 ILE C C 175.767 0.400 1 891 84 88 ILE CA C 58.723 0.400 1 892 84 88 ILE CB C 38.981 0.400 1 893 84 88 ILE CG1 C 27.235 0.400 1 894 84 88 ILE CG2 C 16.815 0.400 1 895 84 88 ILE CD1 C 13.666 0.400 1 896 84 88 ILE N N 127.615 0.400 1 897 85 89 PRO HD2 H 4.105 0.020 2 898 85 89 PRO HD3 H 4.015 0.020 2 899 85 89 PRO CD C 50.890 0.400 1 900 86 90 PRO HA H 4.717 0.020 1 901 86 90 PRO HB2 H 2.436 0.020 2 902 86 90 PRO HB3 H 2.027 0.020 2 903 86 90 PRO HG2 H 2.157 0.020 2 904 86 90 PRO HG3 H 2.157 0.020 2 905 86 90 PRO HD2 H 3.950 0.020 2 906 86 90 PRO HD3 H 3.572 0.020 2 907 86 90 PRO C C 178.296 0.400 1 908 86 90 PRO CA C 62.233 0.400 1 909 86 90 PRO CB C 31.997 0.400 1 910 86 90 PRO CG C 27.549 0.400 1 911 86 90 PRO CD C 50.419 0.400 1 912 87 91 THR H H 8.519 0.020 1 913 87 91 THR HA H 3.823 0.020 1 914 87 91 THR HB H 4.224 0.020 1 915 87 91 THR HG2 H 1.331 0.020 1 916 87 91 THR C C 175.746 0.400 1 917 87 91 THR CA C 64.947 0.400 1 918 87 91 THR CB C 68.879 0.400 1 919 87 91 THR CG2 C 22.831 0.400 1 920 87 91 THR N N 113.155 0.400 1 921 88 92 SER H H 7.784 0.020 1 922 88 92 SER HA H 4.418 0.020 1 923 88 92 SER HB2 H 4.086 0.020 2 924 88 92 SER HB3 H 3.901 0.020 2 925 88 92 SER C C 175.181 0.400 1 926 88 92 SER CA C 57.936 0.400 1 927 88 92 SER CB C 63.717 0.400 1 928 88 92 SER N N 111.260 0.400 1 929 89 93 ALA H H 7.217 0.020 1 930 89 93 ALA HA H 4.476 0.020 1 931 89 93 ALA HB H 1.483 0.020 1 932 89 93 ALA C C 177.094 0.400 1 933 89 93 ALA CA C 52.513 0.400 1 934 89 93 ALA CB C 18.891 0.400 1 935 89 93 ALA N N 124.778 0.400 1 936 90 94 THR H H 8.297 0.020 1 937 90 94 THR HA H 4.540 0.020 1 938 90 94 THR HB H 4.854 0.020 1 939 90 94 THR HG2 H 1.249 0.020 1 940 90 94 THR C C 176.185 0.400 1 941 90 94 THR CA C 60.380 0.400 1 942 90 94 THR CB C 70.445 0.400 1 943 90 94 THR CG2 C 22.168 0.400 1 944 90 94 THR N N 109.010 0.400 1 945 91 95 MET H H 9.380 0.020 1 946 91 95 MET HA H 4.362 0.020 1 947 91 95 MET HB2 H 1.980 0.020 2 948 91 95 MET HB3 H 1.385 0.020 2 949 91 95 MET HG2 H 2.325 0.020 2 950 91 95 MET HG3 H 2.143 0.020 2 951 91 95 MET HE H 1.052 0.020 1 952 91 95 MET C C 179.571 0.400 1 953 91 95 MET CA C 55.758 0.400 1 954 91 95 MET CB C 28.259 0.400 1 955 91 95 MET CG C 31.960 0.400 1 956 91 95 MET CE C 14.946 0.400 1 957 91 95 MET N N 119.935 0.400 1 958 92 96 GLY H H 9.395 0.020 1 959 92 96 GLY HA2 H 4.036 0.020 2 960 92 96 GLY HA3 H 3.691 0.020 2 961 92 96 GLY C C 176.109 0.400 1 962 92 96 GLY CA C 47.278 0.400 1 963 92 96 GLY N N 107.890 0.400 1 964 93 97 GLN H H 7.943 0.020 1 965 93 97 GLN HA H 4.098 0.020 1 966 93 97 GLN HB2 H 2.250 0.020 2 967 93 97 GLN HB3 H 2.143 0.020 2 968 93 97 GLN HG2 H 2.447 0.020 2 969 93 97 GLN HG3 H 2.447 0.020 2 970 93 97 GLN HE21 H 7.840 0.020 2 971 93 97 GLN HE22 H 6.880 0.020 2 972 93 97 GLN C C 178.288 0.400 1 973 93 97 GLN CA C 58.690 0.400 1 974 93 97 GLN CB C 28.437 0.400 1 975 93 97 GLN CG C 33.746 0.400 1 976 93 97 GLN N N 124.585 0.400 1 977 94 98 LEU H H 8.460 0.020 1 978 94 98 LEU HA H 4.112 0.020 1 979 94 98 LEU HB2 H 1.717 0.020 2 980 94 98 LEU HB3 H 1.673 0.020 2 981 94 98 LEU HG H 1.662 0.020 1 982 94 98 LEU HD1 H 0.896 0.020 2 983 94 98 LEU HD2 H 0.896 0.020 2 984 94 98 LEU C C 180.513 0.400 1 985 94 98 LEU CA C 57.809 0.400 1 986 94 98 LEU CB C 42.733 0.400 1 987 94 98 LEU CG C 26.686 0.400 1 988 94 98 LEU CD1 C 25.020 0.400 2 989 94 98 LEU CD2 C 25.020 0.400 2 990 94 98 LEU N N 119.681 0.400 1 991 95 99 TYR H H 8.984 0.020 1 992 95 99 TYR HA H 3.895 0.020 1 993 95 99 TYR HB2 H 3.400 0.020 2 994 95 99 TYR HB3 H 2.995 0.020 2 995 95 99 TYR HD1 H 6.995 0.020 3 996 95 99 TYR HD2 H 6.995 0.020 3 997 95 99 TYR C C 177.733 0.400 1 998 95 99 TYR CA C 63.050 0.400 1 999 95 99 TYR CB C 39.611 0.400 1 1000 95 99 TYR N N 118.980 0.400 1 1001 96 100 GLU H H 8.580 0.020 1 1002 96 100 GLU HA H 4.082 0.020 1 1003 96 100 GLU HB2 H 2.269 0.020 2 1004 96 100 GLU HB3 H 2.203 0.020 2 1005 96 100 GLU HG2 H 2.477 0.020 2 1006 96 100 GLU HG3 H 2.477 0.020 2 1007 96 100 GLU C C 178.172 0.400 1 1008 96 100 GLU CA C 60.189 0.400 1 1009 96 100 GLU CB C 29.363 0.400 1 1010 96 100 GLU CG C 35.952 0.400 1 1011 96 100 GLU N N 122.219 0.400 1 1012 97 101 ASP H H 7.721 0.020 1 1013 97 101 ASP HA H 4.654 0.020 1 1014 97 101 ASP HB2 H 2.696 0.020 2 1015 97 101 ASP HB3 H 2.571 0.020 2 1016 97 101 ASP C C 177.736 0.400 1 1017 97 101 ASP CA C 55.804 0.400 1 1018 97 101 ASP CB C 42.379 0.400 1 1019 97 101 ASP N N 113.359 0.400 1 1020 98 102 ASN H H 7.700 0.020 1 1021 98 102 ASN HA H 4.949 0.020 1 1022 98 102 ASN HB2 H 2.530 0.020 2 1023 98 102 ASN HB3 H 2.530 0.020 2 1024 98 102 ASN HD21 H 8.080 0.020 2 1025 98 102 ASN C C 175.705 0.400 1 1026 98 102 ASN CA C 53.454 0.400 1 1027 98 102 ASN CB C 42.579 0.400 1 1028 98 102 ASN N N 112.519 0.400 1 1029 99 103 HIS H H 8.590 0.020 1 1030 99 103 HIS HA H 4.267 0.020 1 1031 99 103 HIS HB2 H 2.291 0.020 2 1032 99 103 HIS HB3 H 1.975 0.020 2 1033 99 103 HIS HD2 H 6.876 0.020 1 1034 99 103 HIS C C 174.371 0.400 1 1035 99 103 HIS CA C 57.130 0.400 1 1036 99 103 HIS CB C 26.738 0.400 1 1037 99 103 HIS CD2 C 126.443 0.400 1 1038 99 103 HIS N N 120.401 0.400 1 1039 100 104 GLU H H 8.805 0.020 1 1040 100 104 GLU HA H 4.635 0.020 1 1041 100 104 GLU HB2 H 2.745 0.020 2 1042 100 104 GLU HB3 H 2.745 0.020 2 1043 100 104 GLU HG2 H 3.091 0.020 2 1044 100 104 GLU HG3 H 2.442 0.020 2 1045 100 104 GLU C C 179.491 0.400 1 1046 100 104 GLU CA C 56.784 0.400 1 1047 100 104 GLU CB C 30.801 0.400 1 1048 100 104 GLU CG C 37.827 0.400 1 1049 100 104 GLU N N 120.810 0.400 1 1050 101 105 GLU H H 7.270 0.020 1 1051 101 105 GLU HA H 4.080 0.020 1 1052 101 105 GLU HB2 H 2.405 0.020 2 1053 101 105 GLU HB3 H 2.212 0.020 2 1054 101 105 GLU HG2 H 2.449 0.020 2 1055 101 105 GLU HG3 H 2.449 0.020 2 1056 101 105 GLU CA C 59.250 0.400 1 1057 101 105 GLU CB C 29.421 0.400 1 1058 101 105 GLU CG C 37.420 0.400 1 1059 102 106 ASP H H 7.775 0.020 1 1060 102 106 ASP HA H 4.095 0.020 1 1061 102 106 ASP HB2 H 3.122 0.020 2 1062 102 106 ASP HB3 H 2.412 0.020 2 1063 102 106 ASP C C 173.656 0.400 1 1064 102 106 ASP CA C 53.307 0.400 1 1065 102 106 ASP CB C 40.736 0.400 1 1066 102 106 ASP N N 114.446 0.400 1 1067 103 107 TYR H H 7.820 0.020 1 1068 103 107 TYR HA H 3.457 0.020 1 1069 103 107 TYR HB2 H 3.342 0.020 2 1070 103 107 TYR HB3 H 2.804 0.020 2 1071 103 107 TYR HD1 H 6.916 0.020 3 1072 103 107 TYR HD2 H 6.916 0.020 3 1073 103 107 TYR HE1 H 6.808 0.020 3 1074 103 107 TYR HE2 H 6.808 0.020 3 1075 103 107 TYR C C 175.426 0.400 1 1076 103 107 TYR CA C 61.488 0.400 1 1077 103 107 TYR CB C 34.035 0.400 1 1078 103 107 TYR CD1 C 132.388 0.400 3 1079 103 107 TYR CE1 C 118.261 0.400 3 1080 103 107 TYR N N 102.492 0.400 1 1081 104 108 PHE H H 8.660 0.020 1 1082 104 108 PHE HA H 4.773 0.020 1 1083 104 108 PHE HB2 H 3.119 0.020 2 1084 104 108 PHE HB3 H 2.030 0.020 2 1085 104 108 PHE HD1 H 6.902 0.020 3 1086 104 108 PHE HD2 H 6.902 0.020 3 1087 104 108 PHE CA C 59.725 0.400 1 1088 104 108 PHE CB C 40.930 0.400 1 1089 104 108 PHE N N 119.000 0.400 1 1090 105 109 LEU H H 7.705 0.020 1 1091 105 109 LEU HA H 4.710 0.020 1 1092 105 109 LEU HB2 H 2.123 0.020 2 1093 105 109 LEU HB3 H 1.422 0.020 2 1094 105 109 LEU HG H 0.726 0.020 1 1095 105 109 LEU HD1 H 0.907 0.020 2 1096 105 109 LEU HD2 H 0.866 0.020 2 1097 105 109 LEU C C 173.039 0.400 1 1098 105 109 LEU CA C 53.208 0.400 1 1099 105 109 LEU CB C 45.895 0.400 1 1100 105 109 LEU CG C 26.258 0.400 1 1101 105 109 LEU CD1 C 25.014 0.400 2 1102 105 109 LEU CD2 C 25.000 0.400 2 1103 105 109 LEU N N 121.191 0.400 1 1104 106 110 TYR H H 8.888 0.020 1 1105 106 110 TYR HA H 4.656 0.020 1 1106 106 110 TYR HB2 H 2.220 0.020 2 1107 106 110 TYR HB3 H 2.220 0.020 2 1108 106 110 TYR HD1 H 6.446 0.020 3 1109 106 110 TYR HD2 H 6.446 0.020 3 1110 106 110 TYR HE1 H 6.950 0.020 3 1111 106 110 TYR HE2 H 6.950 0.020 3 1112 106 110 TYR C C 175.077 0.400 1 1113 106 110 TYR CA C 58.154 0.400 1 1114 106 110 TYR CB C 38.453 0.400 1 1115 106 110 TYR CD2 C 132.586 0.400 3 1116 106 110 TYR CE2 C 117.757 0.400 3 1117 106 110 TYR N N 126.990 0.400 1 1118 107 111 VAL H H 9.471 0.020 1 1119 107 111 VAL HA H 4.709 0.020 1 1120 107 111 VAL HB H 1.934 0.020 1 1121 107 111 VAL HG1 H 0.572 0.020 2 1122 107 111 VAL HG2 H 0.460 0.020 2 1123 107 111 VAL C C 174.336 0.400 1 1124 107 111 VAL CA C 60.964 0.400 1 1125 107 111 VAL CB C 34.999 0.400 1 1126 107 111 VAL CG1 C 20.920 0.400 2 1127 107 111 VAL CG2 C 20.943 0.400 2 1128 107 111 VAL N N 125.077 0.400 1 1129 108 112 ALA H H 8.925 0.020 1 1130 108 112 ALA HA H 6.301 0.020 1 1131 108 112 ALA HB H 1.184 0.020 1 1132 108 112 ALA C C 177.898 0.400 1 1133 108 112 ALA CA C 49.060 0.400 1 1134 108 112 ALA CB C 21.869 0.400 1 1135 108 112 ALA N N 128.400 0.400 1 1136 109 113 TYR H H 8.291 0.020 1 1137 109 113 TYR HA H 6.570 0.020 1 1138 109 113 TYR HB2 H 3.067 0.020 2 1139 109 113 TYR HB3 H 2.799 0.020 2 1140 109 113 TYR HD1 H 6.681 0.020 3 1141 109 113 TYR HD2 H 6.681 0.020 3 1142 109 113 TYR HE1 H 6.572 0.020 3 1143 109 113 TYR HE2 H 6.572 0.020 3 1144 109 113 TYR C C 173.828 0.400 1 1145 109 113 TYR CA C 55.136 0.400 1 1146 109 113 TYR CB C 42.550 0.400 1 1147 109 113 TYR CD2 C 132.926 0.400 3 1148 109 113 TYR CE2 C 117.294 0.400 3 1149 109 113 TYR N N 114.884 0.400 1 1150 110 114 SER H H 9.215 0.020 1 1151 110 114 SER HA H 4.670 0.020 1 1152 110 114 SER HB2 H 4.237 0.020 2 1153 110 114 SER HB3 H 3.920 0.020 2 1154 110 114 SER C C 172.603 0.400 1 1155 110 114 SER CA C 55.760 0.400 1 1156 110 114 SER CB C 65.203 0.400 1 1157 110 114 SER N N 111.800 0.400 1 1158 111 115 ASP H H 9.425 0.020 1 1159 111 115 ASP HA H 4.782 0.020 1 1160 111 115 ASP HB2 H 3.080 0.020 2 1161 111 115 ASP HB3 H 2.677 0.020 2 1162 111 115 ASP C C 174.694 0.400 1 1163 111 115 ASP CA C 54.202 0.400 1 1164 111 115 ASP CB C 40.664 0.400 1 1165 111 115 ASP N N 120.931 0.400 1 1166 112 116 GLU H H 8.439 0.020 1 1167 112 116 GLU HA H 4.644 0.020 1 1168 112 116 GLU HB2 H 2.049 0.020 2 1169 112 116 GLU HB3 H 1.870 0.020 2 1170 112 116 GLU HG2 H 2.263 0.020 2 1171 112 116 GLU HG3 H 2.191 0.020 2 1172 112 116 GLU C C 174.851 0.400 1 1173 112 116 GLU CA C 55.228 0.400 1 1174 112 116 GLU CB C 33.223 0.400 1 1175 112 116 GLU CG C 36.256 0.400 1 1176 112 116 GLU N N 118.982 0.400 1 1177 113 117 SER H H 8.028 0.020 1 1178 113 117 SER HA H 3.727 0.020 1 1179 113 117 SER HB2 H 3.391 0.020 2 1180 113 117 SER HB3 H 2.384 0.020 2 1181 113 117 SER C C 173.677 0.400 1 1182 113 117 SER CA C 57.985 0.400 1 1183 113 117 SER CB C 62.994 0.400 1 1184 113 117 SER N N 113.014 0.400 1 1185 114 118 VAL H H 7.195 0.020 1 1186 114 118 VAL HA H 4.136 0.020 1 1187 114 118 VAL HB H 1.871 0.020 1 1188 114 118 VAL HG1 H 0.752 0.020 2 1189 114 118 VAL HG2 H 0.710 0.020 2 1190 114 118 VAL C C 173.923 0.400 1 1191 114 118 VAL CA C 61.513 0.400 1 1192 114 118 VAL CB C 33.845 0.400 1 1193 114 118 VAL CG1 C 21.076 0.400 2 1194 114 118 VAL CG2 C 20.098 0.400 2 1195 114 118 VAL N N 119.245 0.400 1 1196 115 119 TYR H H 7.604 0.020 1 1197 115 119 TYR HA H 4.109 0.020 1 1198 115 119 TYR HB2 H 2.643 0.020 2 1199 115 119 TYR HB3 H 2.479 0.020 2 1200 115 119 TYR HD1 H 6.673 0.020 3 1201 115 119 TYR HD2 H 6.673 0.020 3 1202 115 119 TYR HE1 H 6.546 0.020 3 1203 115 119 TYR HE2 H 6.546 0.020 3 1204 115 119 TYR C C 180.066 0.400 1 1205 115 119 TYR CA C 59.235 0.400 1 1206 115 119 TYR CB C 39.659 0.400 1 1207 115 119 TYR CD1 C 132.960 0.400 3 1208 115 119 TYR CE1 C 117.825 0.400 3 1209 115 119 TYR N N 128.921 0.400 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' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' TROSY-H(CCCO)NH-TOCSY (H)CC(CO)NH-TOCSY '3D H(C)CH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NBR1-LIR _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 1 722 1 GLY HA2 H 3.865 0.020 2 2 722 1 GLY HA3 H 3.865 0.020 2 3 722 1 GLY H H 8.151 0.020 1 4 722 1 GLY CA C 43.380 0.400 1 5 722 1 GLY N N 110.746 0.400 1 6 723 2 ALA H H 8.480 0.020 1 7 723 2 ALA HA H 4.360 0.020 1 8 723 2 ALA HB H 1.420 0.020 1 9 723 2 ALA CA C 52.630 0.400 1 10 723 2 ALA CB C 19.370 0.400 1 11 723 2 ALA N N 123.780 0.400 1 12 724 3 MET H H 8.582 0.020 1 13 724 3 MET HA H 4.500 0.020 1 14 724 3 MET HB2 H 2.122 0.020 2 15 724 3 MET HB3 H 2.048 0.020 2 16 724 3 MET HG2 H 2.644 0.020 2 17 724 3 MET HG3 H 2.571 0.020 2 18 724 3 MET HE H 2.100 0.020 1 19 724 3 MET CA C 55.715 0.400 1 20 724 3 MET CB C 32.792 0.400 1 21 724 3 MET CG C 32.104 0.400 1 22 724 3 MET CE C 16.957 0.400 1 23 724 3 MET N N 119.958 0.400 1 24 725 4 GLY H H 8.467 0.020 1 25 725 4 GLY HA2 H 4.010 0.020 2 26 725 4 GLY HA3 H 4.010 0.020 2 27 725 4 GLY CA C 45.434 0.400 1 28 725 4 GLY N N 110.569 0.400 1 29 726 5 SER H H 8.262 0.020 1 30 726 5 SER HA H 4.494 0.020 1 31 726 5 SER HB2 H 3.890 0.020 2 32 726 5 SER HB3 H 3.890 0.020 2 33 726 5 SER CA C 55.726 0.400 1 34 726 5 SER CB C 64.050 0.400 1 35 726 5 SER N N 115.844 0.400 1 36 727 6 ALA H H 8.455 0.020 1 37 727 6 ALA HA H 4.409 0.020 1 38 727 6 ALA HB H 1.420 0.020 1 39 727 6 ALA CA C 52.738 0.400 1 40 727 6 ALA CB C 19.392 0.400 1 41 727 6 ALA N N 125.990 0.400 1 42 728 7 SER H H 8.343 0.020 1 43 728 7 SER HA H 4.525 0.020 1 44 728 7 SER HB2 H 3.903 0.020 2 45 728 7 SER HB3 H 3.903 0.020 2 46 728 7 SER CA C 58.515 0.400 1 47 728 7 SER CB C 64.068 0.400 1 48 728 7 SER N N 115.135 0.400 1 49 729 8 SER H H 8.381 0.020 1 50 729 8 SER HA H 4.517 0.020 1 51 729 8 SER HB2 H 3.956 0.020 2 52 729 8 SER HB3 H 3.880 0.020 2 53 729 8 SER CA C 58.515 0.400 1 54 729 8 SER CB C 63.965 0.400 1 55 729 8 SER N N 117.803 0.400 1 56 730 9 GLU H H 8.464 0.020 1 57 730 9 GLU HA H 4.385 0.020 1 58 730 9 GLU HB2 H 2.135 0.020 2 59 730 9 GLU HB3 H 1.950 0.020 2 60 730 9 GLU HG2 H 2.313 0.020 2 61 730 9 GLU HG3 H 2.313 0.020 2 62 730 9 GLU CA C 56.303 0.400 1 63 730 9 GLU CB C 30.400 0.400 1 64 730 9 GLU CG C 36.377 0.400 1 65 730 9 GLU N N 122.487 0.400 1 66 731 10 ASP H H 8.323 0.020 1 67 731 10 ASP HA H 4.568 0.020 1 68 731 10 ASP HB2 H 2.585 0.020 2 69 731 10 ASP HB3 H 2.585 0.020 2 70 731 10 ASP CA C 54.292 0.400 1 71 731 10 ASP CB C 42.870 0.400 1 72 731 10 ASP N N 121.881 0.400 1 73 732 11 TYR H H 7.950 0.020 1 74 732 11 TYR HA H 4.175 0.020 1 75 732 11 TYR HB2 H 2.633 0.020 2 76 732 11 TYR HB3 H 2.575 0.020 2 77 732 11 TYR HD1 H 6.850 0.020 3 78 732 11 TYR HD2 H 6.850 0.020 3 79 732 11 TYR HE1 H 6.750 0.020 3 80 732 11 TYR HE2 H 6.750 0.020 3 81 732 11 TYR CA C 57.643 0.400 1 82 732 11 TYR CB C 41.077 0.400 1 83 732 11 TYR CD2 C 133.500 0.400 3 84 732 11 TYR CE2 C 118.330 0.400 3 85 732 11 TYR N N 116.705 0.400 1 86 733 12 ILE H H 8.320 0.020 1 87 733 12 ILE HA H 4.164 0.020 1 88 733 12 ILE HB H 1.626 0.020 1 89 733 12 ILE HG12 H 1.140 0.020 2 90 733 12 ILE HG13 H 1.140 0.020 2 91 733 12 ILE HG2 H 0.836 0.020 1 92 733 12 ILE HD1 H 0.682 0.020 1 93 733 12 ILE CA C 59.191 0.400 1 94 733 12 ILE CB C 42.458 0.400 1 95 733 12 ILE CG1 C 26.327 0.400 1 96 733 12 ILE CG2 C 17.245 0.400 1 97 733 12 ILE CD1 C 10.344 0.400 1 98 733 12 ILE N N 121.881 0.400 1 99 734 13 ILE H H 8.730 0.020 1 100 734 13 ILE HA H 4.196 0.020 1 101 734 13 ILE HB H 1.850 0.020 1 102 734 13 ILE HG12 H 1.508 0.020 2 103 734 13 ILE HG13 H 0.865 0.020 2 104 734 13 ILE HG2 H 0.658 0.020 1 105 734 13 ILE HD1 H 0.691 0.020 1 106 734 13 ILE CA C 61.036 0.400 1 107 734 13 ILE CB C 37.064 0.400 1 108 734 13 ILE CG1 C 27.882 0.400 1 109 734 13 ILE CG2 C 17.215 0.400 1 110 734 13 ILE CD1 C 12.591 0.400 1 111 734 13 ILE N N 129.590 0.400 1 112 735 14 ILE H H 7.830 0.020 1 113 735 14 ILE HA H 4.299 0.020 1 114 735 14 ILE HB H 2.143 0.020 1 115 735 14 ILE HG12 H 1.796 0.020 2 116 735 14 ILE HG13 H 1.603 0.020 2 117 735 14 ILE HG2 H 1.000 0.020 1 118 735 14 ILE HD1 H 1.031 0.020 1 119 735 14 ILE CA C 58.985 0.400 1 120 735 14 ILE CB C 37.686 0.400 1 121 735 14 ILE CG1 C 27.728 0.400 1 122 735 14 ILE CG2 C 18.134 0.400 1 123 735 14 ILE CD1 C 11.186 0.400 1 124 735 14 ILE N N 128.605 0.400 1 125 736 15 LEU H H 8.871 0.020 1 126 736 15 LEU HA H 4.610 0.020 1 127 736 15 LEU HB2 H 1.741 0.020 2 128 736 15 LEU HB3 H 1.571 0.020 2 129 736 15 LEU HG H 1.660 0.020 1 130 736 15 LEU HD1 H 0.911 0.020 2 131 736 15 LEU HD2 H 0.954 0.020 2 132 736 15 LEU CA C 53.260 0.400 1 133 736 15 LEU CB C 41.550 0.400 1 134 736 15 LEU CG C 27.078 0.400 1 135 736 15 LEU CD1 C 23.192 0.400 2 136 736 15 LEU CD2 C 25.678 0.400 2 137 736 15 LEU N N 128.733 0.400 1 138 737 16 PRO HA H 4.352 0.020 1 139 737 16 PRO HB2 H 2.251 0.020 2 140 737 16 PRO HB3 H 2.017 0.020 2 141 737 16 PRO HD2 H 3.735 0.020 2 142 737 16 PRO HD3 H 3.735 0.020 2 143 737 16 PRO CA C 63.289 0.400 1 144 737 16 PRO CB C 32.228 0.400 1 145 737 16 PRO CD C 50.545 0.400 1 146 738 17 GLU H H 8.622 0.020 1 147 738 17 GLU HA H 4.349 0.020 1 148 738 17 GLU HB2 H 2.090 0.020 2 149 738 17 GLU HB3 H 1.996 0.020 2 150 738 17 GLU HG2 H 2.314 0.020 2 151 738 17 GLU HG3 H 2.314 0.020 2 152 738 17 GLU CA C 56.634 0.400 1 153 738 17 GLU CB C 27.450 0.400 1 154 738 17 GLU CG C 36.377 0.400 1 155 738 17 GLU N N 121.020 0.400 1 156 739 18 SER H H 7.943 0.020 1 157 739 18 SER HA H 4.250 0.020 1 158 739 18 SER HB2 H 3.850 0.020 2 159 739 18 SER HB3 H 3.850 0.020 2 160 739 18 SER CA C 60.046 0.400 1 161 739 18 SER CB C 64.900 0.400 1 162 739 18 SER N N 122.100 0.400 1 stop_ save_