data_18282 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE M-PMV MYRISTOYLATED MATRIX PROTEIN ; _BMRB_accession_number 18282 _BMRB_flat_file_name bmr18282.str _Entry_type original _Submission_date 2012-02-20 _Accession_date 2012-02-20 _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 Prchal Jan . . 2 Hrabal Richard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 441 "13C chemical shifts" 419 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-12 update BMRB 'update entry citation' 2012-08-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structure of myristoylated Mason-Pfizer monkey virus matrix protein and the role of phosphatidylinositol-(4,5)-bisphosphate in its membrane binding.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22863803 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Prchal Jan . . 2 Srb Pavel . . 3 Hunter Eric . . 4 Ruml Toma . . 5 Hrabal Richard . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 423 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 427 _Page_last 438 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'M-PMV MYRISTOYLATED MATRIX PROTEIN' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'M-PMV MYRISTOYLATED MATRIX PROTEIN' $M-PMV_MATRIX_PROTEIN 'MYRISTIC ACID' $MYR 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_M-PMV_MATRIX_PROTEIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common M-PMV_MATRIX_PROTEIN _Molecular_mass 14713.779 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; GQELSQHERYVEQLKQALKT RGVKVKYADLLKFFDFVKDT CPWFPQEGTIDIKRWRRVGD CFQDYYNTFGPEKVPVTAFS YWNLIKELIDKKEVNPQVMA AVAQTEEILKSNSQTDLEHH HHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 GLN 3 4 GLU 4 5 LEU 5 6 SER 6 7 GLN 7 8 HIS 8 9 GLU 9 10 ARG 10 11 TYR 11 12 VAL 12 13 GLU 13 14 GLN 14 15 LEU 15 16 LYS 16 17 GLN 17 18 ALA 18 19 LEU 19 20 LYS 20 21 THR 21 22 ARG 22 23 GLY 23 24 VAL 24 25 LYS 25 26 VAL 26 27 LYS 27 28 TYR 28 29 ALA 29 30 ASP 30 31 LEU 31 32 LEU 32 33 LYS 33 34 PHE 34 35 PHE 35 36 ASP 36 37 PHE 37 38 VAL 38 39 LYS 39 40 ASP 40 41 THR 41 42 CYS 42 43 PRO 43 44 TRP 44 45 PHE 45 46 PRO 46 47 GLN 47 48 GLU 48 49 GLY 49 50 THR 50 51 ILE 51 52 ASP 52 53 ILE 53 54 LYS 54 55 ARG 55 56 TRP 56 57 ARG 57 58 ARG 58 59 VAL 59 60 GLY 60 61 ASP 61 62 CYS 62 63 PHE 63 64 GLN 64 65 ASP 65 66 TYR 66 67 TYR 67 68 ASN 68 69 THR 69 70 PHE 70 71 GLY 71 72 PRO 72 73 GLU 73 74 LYS 74 75 VAL 75 76 PRO 76 77 VAL 77 78 THR 78 79 ALA 79 80 PHE 80 81 SER 81 82 TYR 82 83 TRP 83 84 ASN 84 85 LEU 85 86 ILE 86 87 LYS 87 88 GLU 88 89 LEU 89 90 ILE 90 91 ASP 91 92 LYS 92 93 LYS 93 94 GLU 94 95 VAL 95 96 ASN 96 97 PRO 97 98 GLN 98 99 VAL 99 100 MET 100 101 ALA 101 102 ALA 102 103 VAL 103 104 ALA 104 105 GLN 105 106 THR 106 107 GLU 107 108 GLU 108 109 ILE 109 110 LEU 110 111 LYS 111 112 SER 112 113 ASN 113 114 SER 114 115 GLN 115 116 THR 116 117 ASP 117 118 LEU 118 119 GLU 119 120 HIS 120 121 HIS 121 122 HIS 122 123 HIS 123 124 HIS 124 125 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-23 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 25087 MPMV_MA_Y28F_Y67F 100.00 125 98.39 100.00 5.61e-86 PDB 1BAX "Mason-Pfizer Monkey Virus Matrix Protein, Nmr, Average Structure" 75.00 94 100.00 100.00 2.14e-62 PDB 2F76 "Solution Structure Of The M-Pmv Wild Type Matrix Protein (P10)" 79.84 100 100.00 100.00 2.07e-67 PDB 2F77 "Solution Structure Of The R55f Mutant Of M-Pmv Matrix Protein (P10)" 79.84 100 98.99 98.99 4.34e-66 PDB 2LPY "Solution Structure Of The M-Pmv Myristoylated Matrix Protein" 100.00 124 100.00 100.00 3.95e-87 PDB 2MV4 "Solution Structure Of Myristoylated Y28f/y67f Mutant Of The Mason- Pfizer Monkey Virus Matrix Protein" 100.00 125 98.39 100.00 5.61e-86 GB AAA47710 "gag polyprotein [Mason-Pfizer monkey virus]" 94.35 657 100.00 100.00 3.96e-75 GB AAC82573 "Pr78 [Mason-Pfizer monkey virus]" 94.35 657 100.00 100.00 3.96e-75 GB AAC82574 "Pr95 [Mason-Pfizer monkey virus]" 94.35 911 100.00 100.00 6.05e-74 GB AAC82576 "RT-IN [Mason-Pfizer monkey virus]" 94.35 1771 100.00 100.00 1.90e-72 GB ABD83648 "codon usage optimized MPMV-gag protein [synthetic construct]" 94.35 657 100.00 100.00 3.96e-75 REF NP_056891 "RT-IN [Mason-Pfizer monkey virus]" 94.35 1771 100.00 100.00 1.90e-72 REF NP_056892 "Pr95 [Mason-Pfizer monkey virus]" 94.35 911 100.00 100.00 6.05e-74 REF NP_056893 "Pr78 [Mason-Pfizer monkey virus]" 94.35 657 100.00 100.00 3.96e-75 REF NP_954557 "p10 MA [Mason-Pfizer monkey virus]" 79.84 99 100.00 100.00 2.27e-67 REF NP_954565 "RT-IN [Mason-Pfizer monkey virus]" 94.35 1771 100.00 100.00 1.90e-72 SP P07567 "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" 94.35 657 100.00 100.00 3.96e-75 stop_ save_ ############# # Ligands # ############# save_MYR _Saveframe_category ligand _Mol_type non-polymer _Name_common "MYR (MYRISTIC ACID)" _BMRB_code . _PDB_code MYR _Molecular_mass 228.371 _Mol_charge 0 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Mar 1 17:21:19 2012 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? HO2 HO2 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H143 H143 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 O1 ? ? SING C1 O2 ? ? SING C1 C2 ? ? SING O2 HO2 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 C7 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C7 C8 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C8 C9 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C9 C10 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING C10 C11 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C12 C13 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C13 C14 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C14 H143 ? ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Variant _Gene_mnemonic $M-PMV_MATRIX_PROTEIN 'Mason-Pfizer monkey virus' . Viruses . Mason-Pfizer "Monkey Virus" wild-type gag 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 $M-PMV_MATRIX_PROTEIN 'recombinant technology' . Escherichia coli BL21(DE3) pET22b 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 'potassium phosphate' 100 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' DTT 5 mM 'natural abundance' $M-PMV_MATRIX_PROTEIN 0.5 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2) 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.24 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CcpNmr_Analisis _Saveframe_category software _Name ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address 'Boucher W., Stevens T.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.4 . M pH 6 . 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 TSP C 13 'methyl carbon' ppm 0 external direct . . . 1 TSP H 1 'methyl protons' ppm 0 external direct . . . 1 TSP N 15 'methyl protons' ppm 0 external 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_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'MYRISTIC ACID' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MYR H121 H 1.0084 0.02 2 2 1 1 MYR H141 H 0.5974 0.02 2 3 1 1 MYR H31 H 1.0084 0.02 2 4 1 1 MYR H51 H 1.0084 0.02 2 stop_ save_ save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'M-PMV MYRISTOYLATED MATRIX PROTEIN' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 1 GLY H H 7.2594 0.02 1 2 2 1 GLY C C 176.8344 0.5 1 3 2 1 GLY CA C 48.5291 0.5 1 4 2 1 GLY N N 108.4950 0.5 1 5 3 2 GLN H H 9.3099 0.002 1 6 3 2 GLN HA H 3.8955 0.02 1 7 3 2 GLN C C 178.6723 0.5 1 8 3 2 GLN CA C 58.7941 0.063 1 9 3 2 GLN N N 122.2284 0.041 1 10 4 3 GLU H H 8.4887 0.007 1 11 4 3 GLU C C 175.5041 0.5 1 12 4 3 GLU CA C 59.5607 0.131 1 13 4 3 GLU CB C 28.8759 0.067 1 14 4 3 GLU N N 119.5292 0.033 1 15 5 4 LEU H H 8.2100 0.012 1 16 5 4 LEU HA H 3.7162 0.012 1 17 5 4 LEU HB3 H 1.3784 0.032 2 18 5 4 LEU HG H 1.0199 0.028 1 19 5 4 LEU HD2 H 0.8450 0.012 2 20 5 4 LEU C C 178.2756 0.5 1 21 5 4 LEU CA C 57.8135 0.152 1 22 5 4 LEU CB C 40.8437 0.080 1 23 5 4 LEU CG C 25.1343 0.071 1 24 5 4 LEU CD2 C 21.8382 0.180 2 25 5 4 LEU N N 114.8317 0.071 1 26 6 5 SER H H 8.2473 0.028 1 27 6 5 SER HA H 4.1267 0.004 1 28 6 5 SER C C 178.5084 0.5 1 29 6 5 SER CA C 60.4015 0.142 1 30 6 5 SER CB C 63.5355 0.212 1 31 6 5 SER N N 109.7259 0.052 1 32 7 6 GLN H H 8.7189 0.006 1 33 7 6 GLN HA H 4.0256 0.02 1 34 7 6 GLN HB3 H 1.9942 0.02 2 35 7 6 GLN CA C 58.4736 0.5 1 36 7 6 GLN N N 117.2031 0.079 1 37 8 7 HIS HB3 H 3.0275 0.016 2 38 8 7 HIS C C 178.6224 0.5 1 39 9 8 GLU H H 7.7009 0.003 1 40 9 8 GLU HA H 3.9687 0.032 1 41 9 8 GLU HB3 H 1.9933 0.027 2 42 9 8 GLU C C 178.4081 0.5 1 43 9 8 GLU CA C 58.2436 0.5 1 44 9 8 GLU CB C 29.0133 0.077 1 45 9 8 GLU CG C 36.0746 0.5 1 46 9 8 GLU N N 120.3566 0.021 1 47 10 9 ARG H H 8.9097 0.022 1 48 10 9 ARG HA H 4.1239 0.011 1 49 10 9 ARG HB3 H 1.9089 0.024 2 50 10 9 ARG C C 178.5992 0.5 1 51 10 9 ARG CA C 58.6328 0.5 1 52 10 9 ARG CB C 29.0045 0.175 1 53 10 9 ARG CD C 42.8720 0.123 1 54 10 9 ARG N N 118.7907 0.065 1 55 11 10 TYR H H 7.5619 0.004 1 56 11 10 TYR HA H 4.1861 0.031 1 57 11 10 TYR HB3 H 3.0863 0.038 2 58 11 10 TYR HD1 H 6.9737 0.038 3 59 11 10 TYR HD2 H 6.9737 0.038 3 60 11 10 TYR HE1 H 7.1831 0.041 3 61 11 10 TYR HE2 H 7.1831 0.041 3 62 11 10 TYR C C 176.6445 0.5 1 63 11 10 TYR CA C 61.3108 0.103 1 64 11 10 TYR CB C 37.9563 0.139 1 65 11 10 TYR N N 121.2390 0.034 1 66 12 11 VAL H H 8.0872 0.026 1 67 12 11 VAL HA H 3.1189 0.024 1 68 12 11 VAL HB H 2.0734 0.009 1 69 12 11 VAL HG1 H 0.6344 0.020 2 70 12 11 VAL HG2 H 1.1279 0.015 2 71 12 11 VAL C C 177.2752 0.5 1 72 12 11 VAL CA C 66.9249 0.169 1 73 12 11 VAL CB C 30.9809 0.143 1 74 12 11 VAL CG1 C 22.9939 0.154 2 75 12 11 VAL CG2 C 20.9904 0.069 2 76 12 11 VAL N N 119.2488 0.034 1 77 13 12 GLU H H 8.3121 0.028 1 78 13 12 GLU HA H 4.2133 0.010 1 79 13 12 GLU HB3 H 2.0664 0.02 2 80 13 12 GLU C C 175.2067 0.5 1 81 13 12 GLU CA C 55.9705 0.051 1 82 13 12 GLU CB C 28.4387 0.5 1 83 13 12 GLU N N 119.5692 0.06 1 84 14 13 GLN H H 7.6904 0.18 1 85 14 13 GLN HA H 3.6566 0.005 1 86 14 13 GLN HB3 H 2.1842 0.03 2 87 14 13 GLN HG3 H 2.5528 0.007 2 88 14 13 GLN CA C 54.2937 0.057 1 89 14 13 GLN CB C 29.6812 0.133 1 90 14 13 GLN CG C 37.0107 0.08 1 91 14 13 GLN N N 119.3747 0.067 1 92 15 14 LEU HA H 3.8650 0.012 1 93 15 14 LEU HB3 H 1.8415 0.029 2 94 15 14 LEU HG H 0.7288 0.017 1 95 15 14 LEU HD2 H 0.3437 0.005 2 96 15 14 LEU CA C 58.1768 0.162 1 97 15 14 LEU CB C 40.6925 0.104 1 98 15 14 LEU CG C 25.8630 0.113 1 99 15 14 LEU CD2 C 21.9197 0.122 2 100 16 15 LYS HA H 3.7373 0.012 1 101 16 15 LYS HB3 H 1.7511 0.023 2 102 16 15 LYS HG3 H 1.3502 0.017 2 103 16 15 LYS HD3 H 1.7316 0.021 2 104 16 15 LYS HE3 H 2.9284 0.02 2 105 16 15 LYS C C 177.8171 0.5 1 106 16 15 LYS CA C 60.3523 0.146 1 107 16 15 LYS CB C 32.1057 0.143 1 108 16 15 LYS CG C 25.8035 0.182 1 109 16 15 LYS CD C 29.0638 0.203 1 110 16 15 LYS CE C 41.4666 0.171 1 111 17 16 GLN H H 7.8618 0.013 1 112 17 16 GLN HA H 3.8638 0.02 1 113 17 16 GLN HB3 H 2.0510 0.02 1 114 17 16 GLN CA C 58.3068 0.5 1 115 17 16 GLN CB C 27.7878 0.5 1 116 17 16 GLN N N 117.4981 0.015 1 117 18 17 ALA HA H 3.7935 0.008 1 118 18 17 ALA HB H 1.3697 0.041 1 119 18 17 ALA C C 179.1469 0.5 1 120 18 17 ALA CA C 54.7922 0.091 1 121 18 17 ALA CB C 17.6932 0.128 1 122 19 18 LEU H H 8.1682 0.021 1 123 19 18 LEU HA H 3.7842 0.028 1 124 19 18 LEU HB3 H 1.7144 0.027 2 125 19 18 LEU HG H 0.7442 0.008 1 126 19 18 LEU HD2 H 0.6347 0.01 2 127 19 18 LEU C C 174.9355 0.5 1 128 19 18 LEU CA C 57.7310 0.142 1 129 19 18 LEU CB C 40.7025 0.117 1 130 19 18 LEU CG C 25.1334 0.119 1 131 19 18 LEU CD2 C 22.3714 0.190 2 132 19 18 LEU N N 117.2781 0.124 1 133 20 19 LYS H H 8.3448 0.008 1 134 20 19 LYS C C 177.9815 0.5 1 135 20 19 LYS CA C 60.4392 0.5 1 136 20 19 LYS N N 118.0255 0.192 1 137 21 20 THR H H 7.8957 0.022 1 138 21 20 THR HA H 4.1259 0.01 1 139 21 20 THR HB H 4.2170 0.014 1 140 21 20 THR HG2 H 1.3630 0.021 1 141 21 20 THR C C 175.4686 0.5 1 142 21 20 THR CA C 64.6434 0.078 1 143 21 20 THR CB C 68.6520 0.091 1 144 21 20 THR CG2 C 21.3198 0.169 1 145 21 20 THR N N 116.3447 0.038 1 146 22 21 ARG H H 7.3170 0.023 1 147 22 21 ARG HA H 4.3747 0.022 1 148 22 21 ARG HB3 H 2.1219 0.037 2 149 22 21 ARG HG3 H 1.6074 0.045 2 150 22 21 ARG C C 176.3641 0.5 1 151 22 21 ARG CA C 54.1571 0.074 1 152 22 21 ARG CB C 29.4527 0.07 1 153 22 21 ARG N N 118.7920 0.19 1 154 23 22 GLY H H 7.8815 0.025 1 155 23 22 GLY HA3 H 3.8539 0.03 2 156 23 22 GLY C C 174.1538 0.5 1 157 23 22 GLY CA C 45.9533 0.5 1 158 23 22 GLY N N 108.4279 0.026 1 159 24 23 VAL H H 7.4312 0.012 1 160 24 23 VAL HA H 4.0361 0.027 1 161 24 23 VAL HB H 2.0117 0.025 1 162 24 23 VAL HG2 H 0.9118 0.032 2 163 24 23 VAL C C 175.6007 0.5 1 164 24 23 VAL CA C 61.6350 0.152 1 165 24 23 VAL CB C 32.5886 0.154 1 166 24 23 VAL CG2 C 20.6349 0.137 2 167 24 23 VAL N N 117.3193 0.066 1 168 25 24 LYS H H 8.6648 0.01 1 169 25 24 LYS HA H 4.3356 0.007 1 170 25 24 LYS HB3 H 1.7137 0.021 2 171 25 24 LYS HE3 H 2.9385 0.02 2 172 25 24 LYS C C 175.5503 0.5 1 173 25 24 LYS CA C 55.8113 0.108 1 174 25 24 LYS CB C 32.2692 0.067 1 175 25 24 LYS CG C 24.6618 0.5 1 176 25 24 LYS CD C 29.0553 0.5 1 177 25 24 LYS CE C 41.8716 0.22 1 178 25 24 LYS N N 127.4240 0.051 1 179 26 25 VAL H H 7.5454 0.004 1 180 26 25 VAL HA H 4.1404 0.02 1 181 26 25 VAL HB H 1.8120 0.026 1 182 26 25 VAL HG1 H 0.7470 0.019 2 183 26 25 VAL HG2 H 0.6906 0.014 2 184 26 25 VAL C C 174.2061 0.5 1 185 26 25 VAL CA C 60.3158 0.114 1 186 26 25 VAL CB C 33.9199 0.101 1 187 26 25 VAL CG1 C 20.8328 0.089 2 188 26 25 VAL CG2 C 21.0333 0.077 2 189 26 25 VAL N N 120.7640 0.054 1 190 27 26 LYS H H 8.6081 0.012 1 191 27 26 LYS HA H 4.1154 0.02 1 192 27 26 LYS HB3 H 1.6613 0.005 2 193 27 26 LYS HG3 H 1.5016 0.028 2 194 27 26 LYS HD3 H 1.7068 0.006 2 195 27 26 LYS HE3 H 2.9519 0.02 2 196 27 26 LYS CA C 55.2106 0.5 1 197 27 26 LYS CB C 31.9296 0.137 1 198 27 26 LYS CG C 24.5209 0.173 1 199 27 26 LYS CD C 28.9923 0.052 1 200 27 26 LYS CE C 41.8198 0.5 1 201 27 26 LYS N N 125.7074 0.059 1 202 28 27 TYR CA C 56.4183 0.5 1 203 28 27 TYR CB C 37.0365 0.5 1 204 29 28 ALA H H 8.3261 0.004 1 205 29 28 ALA HA H 3.7118 0.004 1 206 29 28 ALA HB H 1.2311 0.008 1 207 29 28 ALA C C 180.2103 0.5 1 208 29 28 ALA CA C 54.9114 0.041 1 209 29 28 ALA CB C 18.0337 0.069 1 210 29 28 ALA N N 120.7117 0.148 1 211 30 29 ASP H H 6.9131 0.024 1 212 30 29 ASP HA H 4.3788 0.013 1 213 30 29 ASP HB3 H 2.7081 0.029 2 214 30 29 ASP C C 178.4274 0.5 1 215 30 29 ASP CA C 56.4591 0.5 1 216 30 29 ASP CB C 39.9617 0.011 1 217 30 29 ASP N N 117.1657 0.088 1 218 31 30 LEU H H 7.5433 0.024 1 219 31 30 LEU HA H 3.4908 0.009 1 220 31 30 LEU HG H 0.5948 0.006 1 221 31 30 LEU HD2 H 0.5616 0.011 1 222 31 30 LEU CA C 56.8413 0.076 1 223 31 30 LEU CB C 40.8880 0.159 1 224 31 30 LEU CG C 25.4690 0.064 1 225 31 30 LEU CD2 C 23.7594 0.105 2 226 31 30 LEU N N 123.1045 0.07 1 227 32 31 LEU HA H 3.6110 0.009 1 228 32 31 LEU HB3 H 1.3068 0.01 2 229 32 31 LEU HG H 0.8029 0.014 1 230 32 31 LEU C C 179.1197 0.5 1 231 32 31 LEU CA C 58.1028 0.084 1 232 32 31 LEU CB C 40.5936 0.127 1 233 32 31 LEU CG C 25.4037 0.17 1 234 32 31 LEU CD2 C 21.7343 0.105 2 235 33 32 LYS H H 7.1890 0.033 1 236 33 32 LYS HA H 4.2017 0.018 1 237 33 32 LYS HB3 H 1.9095 0.009 2 238 33 32 LYS C C 180.0445 0.5 1 239 33 32 LYS CA C 59.0808 0.088 1 240 33 32 LYS CB C 31.7349 0.101 1 241 33 32 LYS N N 118.0740 0.054 1 242 34 33 PHE H H 7.7684 0.035 1 243 34 33 PHE HB3 H 3.1509 0.02 2 244 34 33 PHE HD1 H 6.8119 0.004 3 245 34 33 PHE HD2 H 6.8119 0.004 3 246 34 33 PHE HE1 H 7.0015 0.011 3 247 34 33 PHE HE2 H 7.0015 0.011 3 248 34 33 PHE CA C 60.4024 0.5 1 249 34 33 PHE N N 122.9774 0.027 1 250 35 34 PHE HA H 3.7996 0.025 1 251 35 34 PHE HB3 H 2.8974 0.05 2 252 35 34 PHE HD1 H 6.9330 0.012 3 253 35 34 PHE HD2 H 6.9330 0.012 3 254 35 34 PHE HE1 H 6.6371 0.035 3 255 35 34 PHE HE2 H 6.6371 0.035 3 256 35 34 PHE C C 176.3545 0.5 1 257 35 34 PHE CA C 61.8128 0.104 1 258 35 34 PHE CB C 37.1645 0.139 1 259 36 35 ASP H H 8.3378 0.021 1 260 36 35 ASP C C 177.0871 0.5 1 261 36 35 ASP CA C 58.2784 0.5 1 262 36 35 ASP CB C 39.5781 0.5 1 263 36 35 ASP N N 119.9685 0.06 1 264 37 36 PHE H H 7.8596 0.012 1 265 37 36 PHE HB3 H 2.7683 0.01 2 266 37 36 PHE HD1 H 7.5396 0.011 3 267 37 36 PHE HD2 H 7.5396 0.011 3 268 37 36 PHE C C 178.7880 0.5 1 269 37 36 PHE CA C 61.4159 0.18 1 270 37 36 PHE CB C 38.3689 0.5 1 271 37 36 PHE N N 122.9009 0.079 1 272 38 37 VAL H H 8.4514 0.015 1 273 38 37 VAL HA H 3.0996 0.02 1 274 38 37 VAL HB H 2.3065 0.009 1 275 38 37 VAL HG1 H 0.6985 0.008 2 276 38 37 VAL HG2 H 0.5095 0.006 2 277 38 37 VAL C C 176.1472 0.5 1 278 38 37 VAL CA C 67.1533 0.135 1 279 38 37 VAL CB C 30.6248 0.086 1 280 38 37 VAL CG1 C 23.7707 0.104 2 281 38 37 VAL CG2 C 20.9663 0.084 2 282 38 37 VAL N N 122.3286 0.037 1 283 39 38 LYS H H 7.5808 0.015 1 284 39 38 LYS HA H 3.4725 0.016 1 285 39 38 LYS HB3 H 2.0096 0.004 2 286 39 38 LYS HG3 H 1.4033 0.02 2 287 39 38 LYS HD3 H 1.5804 0.02 2 288 39 38 LYS HE3 H 2.9545 0.005 2 289 39 38 LYS C C 176.3606 0.5 1 290 39 38 LYS CA C 59.5192 0.098 1 291 39 38 LYS CB C 31.6278 0.075 1 292 39 38 LYS CG C 24.7511 0.123 1 293 39 38 LYS CD C 29.0573 0.168 1 294 39 38 LYS CE C 41.9340 0.5 1 295 39 38 LYS N N 118.8366 0.111 1 296 40 39 ASP H H 8.0520 0.006 1 297 40 39 ASP HA H 4.2605 0.03 1 298 40 39 ASP HB3 H 2.6198 0.011 2 299 40 39 ASP CA C 56.5797 0.117 1 300 40 39 ASP CB C 40.9771 0.165 1 301 40 39 ASP N N 116.2105 0.036 1 302 41 40 THR H H 7.2318 0.05 1 303 41 40 THR HG1 H 6.1414 0.007 1 304 41 40 THR C C 174.5589 0.5 1 305 41 40 THR N N 109.2148 0.5 1 306 42 41 CYS H H 7.1974 0.006 1 307 42 41 CYS CA C 55.8649 0.5 1 308 42 41 CYS CB C 28.4998 0.5 1 309 42 41 CYS N N 117.9274 0.072 1 310 43 42 PRO HA H 3.9872 0.031 1 311 43 42 PRO HB3 H 2.4449 0.033 2 312 43 42 PRO HG3 H 2.0897 0.024 2 313 43 42 PRO HD3 H 3.9048 0.034 2 314 43 42 PRO C C 176.6875 0.5 1 315 43 42 PRO CA C 65.2060 0.126 1 316 43 42 PRO CB C 30.7673 0.176 1 317 43 42 PRO CG C 27.1767 0.068 1 318 43 42 PRO CD C 50.5045 0.226 1 319 44 43 TRP H H 6.6320 0.006 1 320 44 43 TRP HA H 4.3606 0.042 1 321 44 43 TRP HE1 H 9.9586 0.014 1 322 44 43 TRP HE3 H 7.4869 0.014 1 323 44 43 TRP HZ2 H 7.0417 0.05 1 324 44 43 TRP HZ3 H 6.7939 0.05 1 325 44 43 TRP C C 176.9815 0.5 1 326 44 43 TRP CA C 61.7580 0.024 1 327 44 43 TRP CB C 27.7708 0.039 1 328 44 43 TRP N N 113.8053 0.043 1 329 44 43 TRP NE1 N 128.3779 0.5 1 330 45 44 PHE H H 7.3020 0.007 1 331 45 44 PHE HA H 4.0434 0.012 1 332 45 44 PHE HD1 H 6.7849 0.014 3 333 45 44 PHE HD2 H 6.7849 0.014 3 334 45 44 PHE HE1 H 6.9323 0.05 3 335 45 44 PHE HE2 H 6.9323 0.05 3 336 45 44 PHE CA C 62.9901 0.104 1 337 45 44 PHE CB C 35.1087 0.5 1 338 45 44 PHE N N 123.0188 0.039 1 339 46 45 PRO HA H 4.0146 0.009 1 340 46 45 PRO HB3 H 2.5579 0.05 2 341 46 45 PRO HG3 H 2.0726 0.031 2 342 46 45 PRO HD3 H 3.3689 0.01 2 343 46 45 PRO C C 176.4621 0.5 1 344 46 45 PRO CA C 64.5824 0.117 1 345 46 45 PRO CB C 30.2540 0.5 1 346 46 45 PRO CG C 27.8387 0.5 1 347 46 45 PRO CD C 49.2874 0.12 1 348 47 46 GLN H H 6.5442 0.026 1 349 47 46 GLN HA H 3.9405 0.005 1 350 47 46 GLN HB3 H 2.1064 0.005 2 351 47 46 GLN C C 177.2338 0.5 1 352 47 46 GLN CA C 58.3283 0.167 1 353 47 46 GLN CB C 28.4713 0.196 1 354 47 46 GLN CG C 33.7498 0.5 1 355 47 46 GLN N N 114.4041 0.183 1 356 48 47 GLU H H 7.7098 0.01 1 357 48 47 GLU HA H 4.0853 0.012 1 358 48 47 GLU HB3 H 2.1316 0.035 2 359 48 47 GLU HG3 H 2.5563 0.014 2 360 48 47 GLU C C 179.1303 0.5 1 361 48 47 GLU CA C 58.2152 0.139 1 362 48 47 GLU CB C 29.2472 0.1 1 363 48 47 GLU CG C 33.5324 0.5 1 364 48 47 GLU N N 117.3559 0.057 1 365 49 48 GLY H H 7.2959 0.013 1 366 49 48 GLY HA3 H 3.5773 0.05 2 367 49 48 GLY C C 171.0062 0.5 1 368 49 48 GLY CA C 47.0854 0.016 1 369 49 48 GLY N N 105.4558 0.073 1 370 50 49 THR H H 7.5991 0.006 1 371 50 49 THR HA H 4.2476 0.02 1 372 50 49 THR HB H 3.5107 0.008 1 373 50 49 THR HG2 H 1.1348 0.025 1 374 50 49 THR CA C 61.8302 0.088 1 375 50 49 THR CB C 70.6924 0.184 1 376 50 49 THR CG2 C 20.4543 0.5 1 377 50 49 THR N N 114.0149 0.087 1 378 51 50 ILE HA H 4.1350 0.019 1 379 51 50 ILE HB H 1.9859 0.011 1 380 51 50 ILE HG13 H 1.2655 0.011 2 381 51 50 ILE HG2 H 0.6242 0.011 1 382 51 50 ILE HD1 H 0.6223 0.014 1 383 51 50 ILE C C 172.6078 0.5 1 384 51 50 ILE CA C 59.0750 0.181 1 385 51 50 ILE CB C 35.4159 0.131 1 386 51 50 ILE CG1 C 26.5168 0.135 1 387 51 50 ILE CG2 C 17.7612 0.189 1 388 51 50 ILE CD1 C 12.4797 0.105 1 389 52 51 ASP H H 7.1761 0.026 1 390 52 51 ASP HA H 4.6249 0.014 1 391 52 51 ASP HB3 H 2.7215 0.005 2 392 52 51 ASP C C 175.7700 0.5 1 393 52 51 ASP CA C 51.6342 0.164 1 394 52 51 ASP CB C 42.5280 0.5 1 395 52 51 ASP N N 121.8586 0.174 1 396 53 52 ILE H H 8.7774 0.018 1 397 53 52 ILE HA H 4.1499 0.014 1 398 53 52 ILE HB H 1.9414 0.021 1 399 53 52 ILE HG13 H 1.5550 0.010 2 400 53 52 ILE HG2 H 1.0553 0.007 1 401 53 52 ILE HD1 H 0.9821 0.02 1 402 53 52 ILE C C 176.9611 0.5 1 403 53 52 ILE CA C 61.8992 0.117 1 404 53 52 ILE CB C 37.7003 0.5 1 405 53 52 ILE CG1 C 28.3247 0.11 1 406 53 52 ILE CG2 C 17.9641 0.091 1 407 53 52 ILE CD1 C 13.3700 0.11 1 408 53 52 ILE N N 119.5492 0.071 1 409 54 53 LYS H H 8.1061 0.01 1 410 54 53 LYS HA H 4.1163 0.005 1 411 54 53 LYS HB3 H 1.9073 0.011 2 412 54 53 LYS C C 180.4481 0.5 1 413 54 53 LYS CA C 59.9339 0.087 1 414 54 53 LYS CB C 31.8750 0.5 1 415 54 53 LYS CG C 24.9421 0.5 1 416 54 53 LYS CD C 29.2171 0.5 1 417 54 53 LYS CE C 41.9354 0.5 1 418 54 53 LYS N N 123.5146 0.048 1 419 55 54 ARG H H 9.1829 0.004 1 420 55 54 ARG HA H 4.4220 0.003 1 421 55 54 ARG HG3 H 1.4270 0.031 2 422 55 54 ARG C C 179.1585 0.5 1 423 55 54 ARG CA C 59.7259 0.117 1 424 55 54 ARG N N 120.3706 0.087 1 425 56 55 TRP H H 8.9267 0.009 1 426 56 55 TRP HA H 4.7473 0.005 1 427 56 55 TRP HB3 H 3.3082 0.015 2 428 56 55 TRP HZ2 H 7.2699 0.04 1 429 56 55 TRP HZ3 H 6.6552 0.032 1 430 56 55 TRP HH2 H 7.0336 0.049 1 431 56 55 TRP C C 179.9542 0.5 1 432 56 55 TRP CA C 60.1047 0.077 1 433 56 55 TRP CB C 29.9971 0.5 1 434 56 55 TRP N N 120.7552 0.082 1 435 57 56 ARG H H 9.2205 0.03 1 436 57 56 ARG HA H 4.4056 0.006 1 437 57 56 ARG HB3 H 2.1782 0.006 1 438 57 56 ARG C C 178.1012 0.5 1 439 57 56 ARG CA C 60.1984 0.121 1 440 57 56 ARG CB C 29.5855 0.109 1 441 57 56 ARG N N 122.1943 0.111 1 442 58 57 ARG H H 7.6053 0.002 1 443 58 57 ARG HA H 4.1858 0.003 1 444 58 57 ARG HB3 H 2.1913 0.013 2 445 58 57 ARG C C 179.4449 0.5 1 446 58 57 ARG CA C 59.8320 0.1 1 447 58 57 ARG CB C 29.7534 0.059 1 448 58 57 ARG N N 120.6744 0.056 1 449 59 58 VAL H H 7.8188 0.007 1 450 59 58 VAL HA H 3.6752 0.005 1 451 59 58 VAL HB H 1.4889 0.031 1 452 59 58 VAL HG1 H -0.4147 0.006 2 453 59 58 VAL HG2 H 0.4454 0.009 2 454 59 58 VAL C C 176.5648 0.5 1 455 59 58 VAL CA C 65.9197 0.1 1 456 59 58 VAL CB C 30.7850 0.059 1 457 59 58 VAL CG1 C 22.7347 0.088 2 458 59 58 VAL CG2 C 20.4342 0.073 2 459 59 58 VAL N N 121.8328 0.081 1 460 60 59 GLY H H 7.5404 0.01 1 461 60 59 GLY HA2 H 4.3121 0.05 2 462 60 59 GLY C C 175.9226 0.5 1 463 60 59 GLY CA C 45.9820 0.5 1 464 60 59 GLY N N 106.5213 0.054 1 465 61 60 ASP H H 8.1972 0.003 1 466 61 60 ASP HA H 4.2611 0.006 1 467 61 60 ASP HB3 H 2.6950 0.016 2 468 61 60 ASP C C 178.5367 0.5 1 469 61 60 ASP CA C 56.9068 0.05 1 470 61 60 ASP CB C 39.6535 0.058 1 471 61 60 ASP N N 123.0655 0.03 1 472 62 61 CYS H H 7.8581 0.021 1 473 62 61 CYS C C 177.0825 0.5 1 474 62 61 CYS CA C 62.3803 0.094 1 475 62 61 CYS CB C 26.0109 0.025 1 476 62 61 CYS N N 121.0051 0.044 1 477 63 62 PHE H H 8.5296 0.011 1 478 63 62 PHE HA H 4.1174 0.011 1 479 63 62 PHE HE1 H 7.2582 0.044 1 480 63 62 PHE HE2 H 7.2582 0.044 1 481 63 62 PHE C C 178.0811 0.5 1 482 63 62 PHE CA C 57.8430 0.2 1 483 63 62 PHE CB C 36.6052 0.071 1 484 63 62 PHE N N 119.3615 0.299 1 485 64 63 GLN H H 8.2361 0.003 1 486 64 63 GLN HA H 4.1992 0.011 1 487 64 63 GLN HB2 H 2.0111 0.013 2 488 64 63 GLN HB3 H 2.2092 0.031 2 489 64 63 GLN HG3 H 2.4708 0.05 2 490 64 63 GLN C C 177.6451 0.5 1 491 64 63 GLN CA C 59.0939 0.094 1 492 64 63 GLN CB C 28.3372 0.5 1 493 64 63 GLN CG C 33.6222 0.134 1 494 64 63 GLN N N 118.8290 0.092 1 495 65 64 ASP H H 8.2569 0.003 1 496 65 64 ASP HA H 4.4805 0.034 1 497 65 64 ASP HB3 H 2.8002 0.014 2 498 65 64 ASP CA C 57.3008 0.089 1 499 65 64 ASP CB C 40.7731 0.149 1 500 65 64 ASP N N 120.2340 0.092 1 501 66 65 TYR HA H 4.5977 0.007 1 502 66 65 TYR HB3 H 3.2578 0.038 2 503 66 65 TYR HD1 H 7.2366 0.035 3 504 66 65 TYR HD2 H 7.2366 0.035 3 505 66 65 TYR HE1 H 6.8938 0.05 3 506 66 65 TYR HE2 H 6.8938 0.05 3 507 66 65 TYR C C 178.5242 0.5 1 508 66 65 TYR CA C 60.3546 0.116 1 509 66 65 TYR CB C 37.7963 0.018 1 510 67 66 TYR H H 9.0831 0.007 1 511 67 66 TYR HA H 4.0441 0.006 1 512 67 66 TYR HB3 H 3.3058 0.039 2 513 67 66 TYR HE1 H 6.5800 0.025 3 514 67 66 TYR HE2 H 6.5800 0.025 3 515 67 66 TYR C C 178.2196 0.5 1 516 67 66 TYR CA C 61.7261 0.141 1 517 67 66 TYR CB C 38.9323 0.127 1 518 67 66 TYR N N 122.7411 0.038 1 519 68 67 ASN H H 8.7964 0.003 1 520 68 67 ASN HA H 4.3777 0.023 1 521 68 67 ASN HB3 H 2.9845 0.064 2 522 68 67 ASN C C 176.6326 0.5 1 523 68 67 ASN CA C 55.2934 0.087 1 524 68 67 ASN CB C 37.8597 0.5 1 525 68 67 ASN N N 118.5301 0.093 1 526 69 68 THR H H 7.9603 0.007 1 527 69 68 THR HA H 3.8723 0.021 1 528 69 68 THR HB H 3.6046 0.012 1 529 69 68 THR HG2 H 0.3130 0.003 1 530 69 68 THR C C 174.8319 0.5 1 531 69 68 THR CA C 65.2236 0.13 1 532 69 68 THR CB C 69.4836 0.5 1 533 69 68 THR CG2 C 20.4235 0.06 1 534 69 68 THR N N 114.3280 0.064 1 535 70 69 PHE H H 8.5906 0.03 1 536 70 69 PHE HA H 4.6259 0.025 1 537 70 69 PHE HB3 H 2.7075 0.05 2 538 70 69 PHE HD1 H 7.1727 0.027 3 539 70 69 PHE HD2 H 7.1727 0.027 3 540 70 69 PHE C C 176.4954 0.5 1 541 70 69 PHE CA C 58.4094 0.099 1 542 70 69 PHE CB C 40.7416 0.104 1 543 70 69 PHE N N 118.1071 0.02 1 544 71 70 GLY H H 7.8932 0.014 1 545 71 70 GLY HA3 H 3.5022 0.05 2 546 71 70 GLY CA C 44.6839 0.5 1 547 71 70 GLY N N 109.3092 0.054 1 548 72 71 PRO HA H 4.6909 0.009 1 549 72 71 PRO HB3 H 2.4487 0.019 2 550 72 71 PRO HG3 H 2.0316 0.018 2 551 72 71 PRO HD3 H 3.2773 0.019 2 552 72 71 PRO C C 177.7716 0.5 1 553 72 71 PRO CA C 63.4578 0.138 1 554 72 71 PRO CB C 31.8231 0.164 1 555 72 71 PRO CG C 26.9963 0.108 1 556 72 71 PRO CD C 49.9004 0.172 1 557 73 72 GLU H H 8.5953 0.007 1 558 73 72 GLU HA H 4.0605 0.036 1 559 73 72 GLU HB3 H 1.9906 0.005 2 560 73 72 GLU HG3 H 2.4497 0.009 2 561 73 72 GLU C C 177.2356 0.5 1 562 73 72 GLU CA C 58.5699 0.169 1 563 73 72 GLU CB C 28.8530 0.103 1 564 73 72 GLU CG C 36.1405 0.135 1 565 73 72 GLU N N 117.4206 0.08 1 566 74 73 LYS H H 7.4934 0.019 1 567 74 73 LYS HA H 4.3813 0.019 1 568 74 73 LYS HB3 H 1.6127 0.017 2 569 74 73 LYS HG3 H 1.2961 0.004 2 570 74 73 LYS HD3 H 1.9703 0.01 2 571 74 73 LYS C C 175.6616 0.5 1 572 74 73 LYS CA C 55.2634 0.156 1 573 74 73 LYS CB C 33.8906 0.17 1 574 74 73 LYS CG C 24.6897 0.5 1 575 74 73 LYS CD C 27.5384 0.5 1 576 74 73 LYS CE C 42.0128 0.5 1 577 74 73 LYS N N 116.8461 0.101 1 578 75 74 VAL H H 7.3419 0.02 1 579 75 74 VAL HA H 4.4228 0.019 1 580 75 74 VAL HB H 2.1952 0.021 1 581 75 74 VAL HG2 H 0.5112 0.511 2 582 75 74 VAL CA C 58.4381 0.061 1 583 75 74 VAL CB C 33.7630 0.140 1 584 75 74 VAL CG2 C 20.9684 0.130 1 585 75 74 VAL N N 118.0557 0.054 1 586 76 75 PRO HA H 4.5850 0.003 1 587 76 75 PRO HB3 H 2.2564 0.011 2 588 76 75 PRO HG3 H 1.7348 0.05 2 589 76 75 PRO HD3 H 2.7183 0.007 2 590 76 75 PRO C C 178.5435 0.5 1 591 76 75 PRO CA C 61.9112 0.157 1 592 76 75 PRO CB C 32.0353 0.128 1 593 76 75 PRO CG C 26.9439 0.5 1 594 76 75 PRO CD C 50.0475 0.095 1 595 77 76 VAL H H 8.6040 0.006 1 596 77 76 VAL HA H 3.9208 0.007 1 597 77 76 VAL HB H 2.2227 0.015 1 598 77 76 VAL HG2 H 1.0712 0.03 2 599 77 76 VAL CA C 65.3156 0.081 1 600 77 76 VAL CB C 31.3163 0.112 1 601 77 76 VAL CG2 C 20.8494 0.116 1 602 77 76 VAL N N 119.8253 0.046 1 603 78 77 THR H H 7.3798 0.012 1 604 78 77 THR HA H 3.9142 0.021 1 605 78 77 THR HB H 3.8825 0.024 1 606 78 77 THR HG2 H 1.1119 0.02 1 607 78 77 THR C C 175.7323 0.5 1 608 78 77 THR CA C 62.8032 0.112 1 609 78 77 THR CB C 68.3566 0.116 1 610 78 77 THR CG2 C 22.0189 0.04 1 611 78 77 THR N N 109.3897 0.098 1 612 79 78 ALA H H 7.8109 0.006 1 613 79 78 ALA HA H 4.0010 0.009 1 614 79 78 ALA HB H 0.8079 0.032 1 615 79 78 ALA C C 179.5268 0.5 1 616 79 78 ALA CA C 55.0913 0.036 1 617 79 78 ALA CB C 17.5607 0.129 1 618 79 78 ALA N N 123.6608 0.084 1 619 80 79 PHE H H 7.3055 0.016 1 620 80 79 PHE HA H 4.4520 0.009 1 621 80 79 PHE HB3 H 2.9615 0.035 2 622 80 79 PHE HD1 H 6.9349 0.05 3 623 80 79 PHE HD2 H 6.9349 0.05 3 624 80 79 PHE C C 178.5856 0.5 1 625 80 79 PHE CA C 61.6555 0.111 1 626 80 79 PHE CB C 37.6941 0.139 1 627 80 79 PHE N N 114.2583 0.031 1 628 81 80 SER H H 7.7333 0.015 1 629 81 80 SER CA C 61.8238 0.5 1 630 81 80 SER N N 116.8649 0.059 1 631 82 81 TYR H H 8.1506 0.005 1 632 82 81 TYR HA H 4.1330 0.05 1 633 82 81 TYR HB3 H 1.5880 0.002 2 634 82 81 TYR HD1 H 7.4545 0.02 3 635 82 81 TYR HD2 H 7.4545 0.02 3 636 82 81 TYR HE1 H 6.5577 0.05 3 637 82 81 TYR HE2 H 6.5577 0.05 3 638 82 81 TYR C C 177.7008 0.5 1 639 82 81 TYR CA C 60.0272 0.5 1 640 82 81 TYR CB C 34.1040 0.038 1 641 82 81 TYR N N 121.9317 0.058 1 642 83 82 TRP H H 8.6450 0.021 1 643 83 82 TRP HA H 4.4355 0.018 1 644 83 82 TRP HB3 H 3.6338 0.004 2 645 83 82 TRP CA C 63.9751 0.095 1 646 83 82 TRP CB C 28.5572 0.101 1 647 83 82 TRP N N 120.8168 0.057 1 648 84 83 ASN HA H 4.2301 0.01 1 649 84 83 ASN HB3 H 2.9110 0.009 2 650 84 83 ASN C C 176.1404 0.5 1 651 84 83 ASN CA C 56.6827 0.016 1 652 84 83 ASN CB C 39.1156 0.067 1 653 85 84 LEU H H 7.7511 0.013 1 654 85 84 LEU HA H 4.0542 0.012 1 655 85 84 LEU HB3 H 1.7669 0.022 2 656 85 84 LEU HG H 1.7496 0.022 1 657 85 84 LEU HD2 H 0.8031 0.022 2 658 85 84 LEU C C 178.3685 0.5 1 659 85 84 LEU CA C 58.2276 0.112 1 660 85 84 LEU CB C 41.5756 0.155 1 661 85 84 LEU CG C 26.0507 0.075 1 662 85 84 LEU CD2 C 25.3790 0.232 2 663 85 84 LEU N N 121.8838 0.032 1 664 86 85 ILE H H 7.9525 0.026 1 665 86 85 ILE HA H 3.4621 0.013 1 666 86 85 ILE HB H 1.9762 0.013 1 667 86 85 ILE HG13 H 1.4438 0.029 2 668 86 85 ILE HG2 H -0.4912 0.011 1 669 86 85 ILE HD1 H 0.8200 0.019 1 670 86 85 ILE C C 176.8089 0.5 1 671 86 85 ILE CA C 61.3454 0.135 1 672 86 85 ILE CB C 34.0988 0.245 1 673 86 85 ILE CG1 C 27.4995 0.158 1 674 86 85 ILE CG2 C 16.2516 0.101 1 675 86 85 ILE CD1 C 9.2365 0.101 1 676 86 85 ILE N N 116.8246 0.076 1 677 87 86 LYS H H 7.8758 0.025 1 678 87 86 LYS HA H 3.2307 0.025 1 679 87 86 LYS HG3 H 1.7470 0.028 2 680 87 86 LYS C C 177.2211 0.5 1 681 87 86 LYS CA C 60.0334 0.09 1 682 87 86 LYS CB C 31.0054 0.062 1 683 87 86 LYS CG C 23.9580 0.5 1 684 87 86 LYS CD C 29.0074 0.5 1 685 87 86 LYS CE C 42.2085 0.5 1 686 87 86 LYS N N 121.8464 0.015 1 687 88 87 GLU H H 7.6790 0.015 1 688 88 87 GLU HA H 3.8612 0.006 1 689 88 87 GLU HB3 H 2.0439 0.03 2 690 88 87 GLU HG3 H 2.2596 0.016 2 691 88 87 GLU C C 178.8096 0.5 1 692 88 87 GLU CA C 58.9486 0.165 1 693 88 87 GLU CB C 29.2210 0.101 1 694 88 87 GLU CG C 35.8015 0.17 1 695 88 87 GLU N N 116.3306 0.036 1 696 89 88 LEU H H 7.4407 0.016 1 697 89 88 LEU HA H 3.9093 0.006 1 698 89 88 LEU HB3 H 1.2249 0.033 2 699 89 88 LEU HG H 0.6405 0.007 1 700 89 88 LEU HD2 H 0.6225 0.012 2 701 89 88 LEU CA C 57.6881 0.086 1 702 89 88 LEU CB C 41.4357 0.117 1 703 89 88 LEU CG C 25.5798 0.167 1 704 89 88 LEU CD2 C 22.7490 0.12 2 705 89 88 LEU N N 118.0902 0.02 1 706 90 89 ILE HA H 3.3439 0.007 1 707 90 89 ILE HB H 1.9789 0.028 1 708 90 89 ILE HG13 H 1.6202 0.006 2 709 90 89 ILE HG2 H 0.6075 0.019 1 710 90 89 ILE HD1 H 0.0245 0.015 1 711 90 89 ILE CA C 65.0817 0.106 1 712 90 89 ILE CB C 37.5558 0.161 1 713 90 89 ILE CG1 C 28.1388 0.140 1 714 90 89 ILE CG2 C 17.2421 0.146 1 715 90 89 ILE CD1 C 13.2509 0.134 1 716 91 90 ASP HA H 3.8941 0.05 1 717 91 90 ASP CA C 57.6785 0.5 1 718 91 90 ASP CB C 40.5461 0.5 1 719 92 91 LYS H H 7.9030 0.012 1 720 92 91 LYS HB3 H 1.8980 0.045 2 721 92 91 LYS CA C 54.6000 0.5 1 722 92 91 LYS CB C 32.0142 0.5 1 723 92 91 LYS N N 119.4219 0.122 1 724 93 92 LYS HA H 4.5407 0.05 1 725 93 92 LYS HB3 H 1.7532 0.05 2 726 93 92 LYS HG3 H 1.4888 0.05 2 727 93 92 LYS HD3 H 1.6406 0.05 2 728 93 92 LYS HE3 H 3.0667 0.05 2 729 93 92 LYS CA C 55.2017 0.047 1 730 93 92 LYS CB C 31.7576 0.151 1 731 93 92 LYS CG C 24.7737 0.5 1 732 93 92 LYS CD C 29.0884 0.5 1 733 93 92 LYS CE C 41.9735 0.5 1 734 94 93 GLU H H 8.1405 0.004 1 735 94 93 GLU HA H 4.2833 0.021 1 736 94 93 GLU HB3 H 2.0050 0.002 2 737 94 93 GLU C C 175.6133 0.5 1 738 94 93 GLU CA C 56.2961 0.5 1 739 94 93 GLU CB C 29.4154 0.119 1 740 94 93 GLU CG C 36.0902 0.5 1 741 94 93 GLU N N 115.9221 0.109 1 742 95 94 VAL H H 8.0029 0.002 1 743 95 94 VAL HA H 3.7732 0.003 1 744 95 94 VAL HB H 2.0646 0.006 1 745 95 94 VAL HG2 H 0.8809 0.027 2 746 95 94 VAL CA C 62.2566 0.043 1 747 95 94 VAL CB C 32.0475 0.238 1 748 95 94 VAL CG2 C 20.2930 0.5 2 749 95 94 VAL N N 121.3042 0.052 1 750 96 95 ASN H H 7.5185 0.003 1 751 97 96 PRO HA H 4.3192 0.008 1 752 97 96 PRO HB3 H 2.4024 0.013 2 753 97 96 PRO HD3 H 3.6783 0.006 2 754 97 96 PRO C C 179.0877 0.5 1 755 97 96 PRO CA C 64.9625 0.150 1 756 97 96 PRO CB C 32.0352 0.065 1 757 97 96 PRO CD C 49.8270 0.053 1 758 98 97 GLN H H 8.3506 0.036 1 759 98 97 GLN HA H 3.9518 0.011 1 760 98 97 GLN HB3 H 2.0329 0.015 2 761 98 97 GLN HG3 H 2.4268 0.018 2 762 98 97 GLN C C 179.2716 0.5 1 763 98 97 GLN CA C 55.6914 0.113 1 764 98 97 GLN CB C 28.3783 0.173 1 765 98 97 GLN CG C 33.4670 0.038 1 766 98 97 GLN N N 117.7928 0.112 1 767 99 98 VAL H H 7.9008 0.024 1 768 99 98 VAL HA H 3.4401 0.011 1 769 99 98 VAL HB H 2.1389 0.016 1 770 99 98 VAL HG1 H 0.8256 0.01 2 771 99 98 VAL HG2 H 0.8582 0.023 2 772 99 98 VAL CA C 67.7757 0.063 1 773 99 98 VAL CB C 31.5738 0.098 1 774 99 98 VAL CG1 C 21.6638 0.038 2 775 99 98 VAL CG2 C 21.8547 0.147 2 776 99 98 VAL N N 121.2469 0.036 1 777 101 100 ALA HA H 4.2180 0.009 1 778 101 100 ALA HB H 1.4084 0.011 1 779 101 100 ALA C C 179.5986 0.5 1 780 101 100 ALA CA C 54.6851 0.08 1 781 101 100 ALA CB C 17.5620 0.088 1 782 102 101 ALA H H 7.5589 0.016 1 783 102 101 ALA HA H 4.0045 0.004 1 784 102 101 ALA HB H 1.3065 0.018 1 785 102 101 ALA C C 180.9699 0.5 1 786 102 101 ALA CA C 55.0133 0.075 1 787 102 101 ALA CB C 17.4220 0.088 1 788 102 101 ALA N N 119.5334 0.015 1 789 103 102 VAL H H 8.8506 0.007 1 790 103 102 VAL HA H 4.0866 0.017 1 791 103 102 VAL HB H 2.0515 0.037 1 792 103 102 VAL HG2 H 0.8242 0.018 2 793 103 102 VAL C C 175.6657 0.5 1 794 103 102 VAL CA C 61.8498 0.075 1 795 103 102 VAL CB C 32.5760 0.094 1 796 103 102 VAL CG2 C 20.6504 0.096 2 797 103 102 VAL N N 122.6692 0.025 1 798 104 103 ALA H H 8.3741 0.004 1 799 104 103 ALA HA H 4.2881 0.003 1 800 104 103 ALA HB H 1.3801 0.04 1 801 104 103 ALA C C 177.3439 0.5 1 802 104 103 ALA CA C 52.1941 0.076 1 803 104 103 ALA CB C 19.0212 0.056 1 804 104 103 ALA N N 128.0477 0.055 1 805 105 104 GLN H H 8.3743 0.003 1 806 105 104 GLN HA H 4.2811 0.05 1 807 105 104 GLN HB3 H 1.8352 0.05 2 808 105 104 GLN CA C 55.6556 0.5 1 809 105 104 GLN CB C 32.5806 0.5 1 810 105 104 GLN N N 120.2846 0.031 1 811 106 105 THR HA H 4.2932 0.047 1 812 106 105 THR HB H 4.2196 0.05 1 813 106 105 THR C C 174.3836 0.5 1 814 106 105 THR CA C 61.6628 0.193 1 815 106 105 THR CB C 69.4583 0.05 1 816 107 106 GLU H H 8.4148 0.003 1 817 107 106 GLU HA H 4.2410 0.002 1 818 107 106 GLU HB3 H 1.9208 0.023 2 819 107 106 GLU C C 176.3310 0.5 1 820 107 106 GLU CA C 56.6210 0.052 1 821 107 106 GLU CB C 30.0044 0.059 1 822 107 106 GLU CG C 36.0098 0.5 1 823 107 106 GLU N N 122.7442 0.024 1 824 108 107 GLU H H 8.3340 0.01 1 825 108 107 GLU HA H 4.1840 0.006 1 826 108 107 GLU HB3 H 1.8649 0.035 2 827 108 107 GLU HG3 H 2.1664 0.007 2 828 108 107 GLU C C 176.4039 0.5 1 829 108 107 GLU CA C 56.7214 0.082 1 830 108 107 GLU CB C 29.7697 0.235 1 831 108 107 GLU CG C 35.9186 0.067 1 832 108 107 GLU N N 121.9935 0.035 1 833 109 108 ILE H H 8.0683 0.027 1 834 109 108 ILE HA H 4.0517 0.006 1 835 109 108 ILE HB H 1.8096 0.005 1 836 109 108 ILE HG12 H 1.1411 0.021 2 837 109 108 ILE HG13 H 1.4345 0.002 2 838 109 108 ILE HG2 H 0.8484 0.012 1 839 109 108 ILE HD1 H 0.8045 0.006 1 840 109 108 ILE C C 176.2614 0.5 1 841 109 108 ILE CA C 61.2452 0.151 1 842 109 108 ILE CB C 38.1572 0.078 1 843 109 108 ILE CG1 C 27.1299 0.067 1 844 109 108 ILE CG2 C 17.2810 0.114 1 845 109 108 ILE CD1 C 12.4997 0.046 1 846 109 108 ILE N N 122.2043 0.02 1 847 110 109 LEU H H 8.1874 0.013 1 848 110 109 LEU HA H 4.2953 0.01 1 849 110 109 LEU HB3 H 1.5833 0.02 2 850 110 109 LEU HG H 1.5156 0.051 1 851 110 109 LEU C C 177.2753 0.5 1 852 110 109 LEU CA C 55.1034 0.114 1 853 110 109 LEU CB C 41.9293 0.167 1 854 110 109 LEU CG C 26.8036 0.113 1 855 110 109 LEU CD2 C 23.8371 0.112 2 856 110 109 LEU N N 125.6077 0.024 1 857 111 110 LYS H H 8.2056 0.007 1 858 111 110 LYS HA H 4.2781 0.005 1 859 111 110 LYS HB3 H 1.7935 0.016 2 860 111 110 LYS HG3 H 1.3806 0.028 2 861 111 110 LYS HD3 H 1.6371 0.01 2 862 111 110 LYS C C 176.6056 0.5 1 863 111 110 LYS CA C 56.1246 0.114 1 864 111 110 LYS CB C 32.4229 0.167 1 865 111 110 LYS CG C 24.5683 0.065 1 866 111 110 LYS CD C 28.9473 0.145 1 867 111 110 LYS CE C 41.9298 0.026 1 868 111 110 LYS N N 122.1537 0.059 1 869 112 111 SER H H 8.2173 0.013 1 870 112 111 SER HA H 4.3949 0.002 1 871 112 111 SER HB2 H 3.8396 0.05 2 872 112 111 SER HB3 H 3.8394 0.05 2 873 112 111 SER C C 175.1680 0.5 1 874 112 111 SER CA C 58.4555 0.177 1 875 112 111 SER CB C 63.4946 0.035 1 876 112 111 SER N N 116.3809 0.278 1 877 113 112 ASN H H 7.9495 0.006 1 878 113 112 ASN HA H 4.6988 0.016 1 879 113 112 ASN HB3 H 2.7581 0.024 2 880 113 112 ASN C C 175.5518 0.5 1 881 113 112 ASN CA C 53.5920 0.219 1 882 113 112 ASN CB C 38.7723 0.111 1 883 113 112 ASN N N 119.7985 0.034 1 884 114 113 SER H H 7.9701 0.007 1 885 114 113 SER HA H 4.3822 0.05 1 886 114 113 SER HB3 H 3.8617 0.022 2 887 114 113 SER C C 174.5583 0.5 1 888 114 113 SER CA C 58.9187 0.013 1 889 114 113 SER CB C 63.4943 0.05 1 890 114 113 SER N N 115.4299 0.016 1 891 115 114 GLN H H 8.3820 0.002 1 892 115 114 GLN HA H 4.3474 0.05 1 893 115 114 GLN HB3 H 2.0877 0.026 2 894 115 114 GLN C C 176.2463 0.5 1 895 115 114 GLN CA C 56.0356 0.036 1 896 115 114 GLN CB C 29.1958 0.5 1 897 115 114 GLN N N 121.9728 0.04 1 898 116 115 THR H H 8.0699 0.005 1 899 116 115 THR HA H 4.2376 0.013 1 900 116 115 THR HB H 4.1647 0.01 1 901 116 115 THR C C 174.2763 0.5 1 902 116 115 THR CA C 62.2212 0.088 1 903 116 115 THR CB C 69.4054 0.014 1 904 116 115 THR N N 114.7008 0.054 1 905 117 116 ASP H H 8.2880 0.007 1 906 117 116 ASP HA H 4.5751 0.004 1 907 117 116 ASP HB3 H 2.6909 0.015 2 908 117 116 ASP C C 176.2406 0.5 1 909 117 116 ASP CA C 54.2864 0.109 1 910 117 116 ASP CB C 40.6090 0.028 1 911 117 116 ASP N N 122.5657 0.014 1 912 118 117 LEU H H 8.0877 0.004 1 913 118 117 LEU HA H 4.1632 0.015 1 914 118 117 LEU HB3 H 1.5370 0.021 2 915 118 117 LEU HG H 0.8355 0.22 1 916 118 117 LEU HD2 H 0.7556 0.04 2 917 118 117 LEU C C 177.6367 0.5 1 918 118 117 LEU CA C 55.4751 0.112 1 919 118 117 LEU CB C 41.9639 0.185 1 920 118 117 LEU CG C 24.7501 0.066 1 921 118 117 LEU CD2 C 23.0796 0.1 2 922 118 117 LEU N N 122.1176 0.029 1 923 119 118 GLU H H 8.1344 0.005 1 924 119 118 GLU HA H 4.0860 0.018 1 925 119 118 GLU C C 176.2648 0.5 1 926 119 118 GLU CA C 56.5694 0.073 1 927 119 118 GLU CB C 29.4858 0.105 1 928 119 118 GLU CG C 35.8965 0.5 1 929 119 118 GLU N N 119.5271 0.051 1 930 120 119 HIS H H 8.1341 0.003 1 931 120 119 HIS HA H 4.4847 0.05 1 932 120 119 HIS HB3 H 3.0570 0.05 2 933 120 119 HIS CA C 55.4216 0.011 1 934 120 119 HIS CB C 28.6284 0.011 1 935 120 119 HIS N N 118.0762 0.067 1 936 121 120 HIS H H 8.3719 0.002 1 937 121 120 HIS HA H 4.2418 0.017 1 938 121 120 HIS CA C 56.7316 0.5 1 939 121 120 HIS N N 119.3233 0.036 1 940 122 121 HIS H H 7.9002 0.006 1 941 122 121 HIS CA C 57.0363 0.5 1 942 122 121 HIS CB C 29.9233 0.5 1 943 122 121 HIS N N 126.0319 0.063 1 944 123 122 HIS H H 8.5948 0.003 1 945 123 122 HIS HA H 4.5949 0.008 1 946 123 122 HIS HB3 H 3.0969 0.024 2 947 123 122 HIS CA C 55.3716 0.026 1 948 123 122 HIS CB C 29.1654 0.111 1 949 123 122 HIS N N 121.0117 0.05 1 950 124 123 HIS H H 8.5578 0.004 1 951 124 123 HIS CA C 57.3805 0.052 1 952 124 123 HIS CB C 35.4906 0.07 1 953 124 123 HIS N N 120.3427 0.051 1 954 125 124 HIS H H 8.0692 0.004 1 955 125 124 HIS HA H 4.4050 0.004 1 956 125 124 HIS HB3 H 3.0485 0.05 2 957 125 124 HIS CA C 56.8796 0.5 1 958 125 124 HIS CB C 29.5355 0.157 1 959 125 124 HIS N N 120.0947 0.009 1 stop_ save_