data_25411 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; MPMV MA T41I T78I ; _BMRB_accession_number 25411 _BMRB_flat_file_name bmr25411.str _Entry_type original _Submission_date 2015-01-05 _Accession_date 2015-01-05 _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 Kroupa Tomas . . 2 Hrabal Richard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 577 "13C chemical shifts" 374 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-01-04 original BMRB . stop_ _Original_release_date 2016-01-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Mason-Pfizer monkey virus matrix protein mutants - structural view of impaired membrane interaction ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kroupa Tomas . . 2 Dolezal Michal . . 3 Prchal Jan . . 4 Ruml Tomas . . 5 Hrabal Richard . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MPMV MA T41I T78I' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MPMV MA T41I T78I' $MPMV_MA_T41I_T78I 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_MPMV_MA_T41I_T78I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MPMV_MA_T41I_T78I _Molecular_mass 14737.889 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; XGQELSQHERYVEQLKQALK TRGVKVKYADLLKFFDFVKD ICPWFPQEGTIDIKRWRRVG DCFQDYYNTFGPEKVPVIAF SYWNLIKELIDKKEVNPQVM AAVAQTEEILKSNSQTDLEH HHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MYR 2 2 GLY 3 3 GLN 4 4 GLU 5 5 LEU 6 6 SER 7 7 GLN 8 8 HIS 9 9 GLU 10 10 ARG 11 11 TYR 12 12 VAL 13 13 GLU 14 14 GLN 15 15 LEU 16 16 LYS 17 17 GLN 18 18 ALA 19 19 LEU 20 20 LYS 21 21 THR 22 22 ARG 23 23 GLY 24 24 VAL 25 25 LYS 26 26 VAL 27 27 LYS 28 28 TYR 29 29 ALA 30 30 ASP 31 31 LEU 32 32 LEU 33 33 LYS 34 34 PHE 35 35 PHE 36 36 ASP 37 37 PHE 38 38 VAL 39 39 LYS 40 40 ASP 41 41 ILE 42 42 CYS 43 43 PRO 44 44 TRP 45 45 PHE 46 46 PRO 47 47 GLN 48 48 GLU 49 49 GLY 50 50 THR 51 51 ILE 52 52 ASP 53 53 ILE 54 54 LYS 55 55 ARG 56 56 TRP 57 57 ARG 58 58 ARG 59 59 VAL 60 60 GLY 61 61 ASP 62 62 CYS 63 63 PHE 64 64 GLN 65 65 ASP 66 66 TYR 67 67 TYR 68 68 ASN 69 69 THR 70 70 PHE 71 71 GLY 72 72 PRO 73 73 GLU 74 74 LYS 75 75 VAL 76 76 PRO 77 77 VAL 78 78 ILE 79 79 ALA 80 80 PHE 81 81 SER 82 82 TYR 83 83 TRP 84 84 ASN 85 85 LEU 86 86 ILE 87 87 LYS 88 88 GLU 89 89 LEU 90 90 ILE 91 91 ASP 92 92 LYS 93 93 LYS 94 94 GLU 95 95 VAL 96 96 ASN 97 97 PRO 98 98 GLN 99 99 VAL 100 100 MET 101 101 ALA 102 102 ALA 103 103 VAL 104 104 ALA 105 105 GLN 106 106 THR 107 107 GLU 108 108 GLU 109 109 ILE 110 110 LEU 111 111 LYS 112 112 SER 113 113 ASN 114 114 SER 115 115 GLN 116 116 THR 117 117 ASP 118 118 LEU 119 119 GLU 120 120 HIS 121 121 HIS 122 122 HIS 123 123 HIS 124 124 HIS 125 125 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_MYR _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'MYRISTIC ACID' _BMRB_code MYR _PDB_code MYR _Standard_residue_derivative . _Molecular_mass 228.371 _Mol_paramagnetic . _Details . 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_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MPMV_MA_T41I_T78I 'Simian retrovirus' 11855 Viruses . Betaretrovirus 'Mason-Pfizer monkey virus' 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 $MPMV_MA_T41I_T78I 'recombinant technology' . Escherichia coli 'Escherichia coli BL21 (DE3)' pET-22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'the myristoyl residue is reverse-labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MPMV_MA_T41I_T78I . mM 0.4 0.7 '[U-99% 13C; U-99% 15N, NA-MYR]' 'sodium chloride' 300 mM . . 'natural abundance' 'sodium phosphate' 100 mM . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.3 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _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_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 1 . 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 DSS C 13 'methyl protons' ppm 2.7 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.05 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.07 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HN(COCA)CB' '3D HNCACB' '3D HNCA' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' 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 'MPMV MA T41I T78I' _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 2 GLY HA2 H 3.707 0.003 1 2 2 2 GLY HA3 H 3.707 0.003 1 3 2 2 GLY CA C 48.510 0.030 1 4 3 3 GLN H H 9.398 0.010 1 5 3 3 GLN HA H 3.888 0.025 1 6 3 3 GLN HB2 H 1.926 0.016 2 7 3 3 GLN HB3 H 1.785 0.025 2 8 3 3 GLN CA C 58.742 0.248 1 9 3 3 GLN CB C 28.383 0.405 1 10 3 3 GLN CG C 33.613 0.030 1 11 3 3 GLN N N 122.360 0.065 1 12 4 4 GLU H H 7.464 0.025 1 13 4 4 GLU HA H 4.674 0.031 1 14 4 4 GLU HB2 H 2.713 0.003 1 15 4 4 GLU HB3 H 2.713 0.003 1 16 4 4 GLU CA C 57.807 1.853 1 17 4 4 GLU CB C 28.700 0.133 1 18 4 4 GLU N N 119.689 0.047 1 19 5 5 LEU H H 8.206 0.021 1 20 5 5 LEU HA H 3.701 0.014 1 21 5 5 LEU HB2 H 1.430 0.061 2 22 5 5 LEU HB3 H 1.338 0.018 2 23 5 5 LEU HG H 0.989 0.010 1 24 5 5 LEU HD1 H 0.824 0.040 1 25 5 5 LEU HD2 H 0.824 0.040 1 26 5 5 LEU CA C 57.738 0.261 1 27 5 5 LEU CB C 40.815 0.099 1 28 5 5 LEU CG C 25.109 0.251 1 29 5 5 LEU CD1 C 22.333 0.030 1 30 5 5 LEU CD2 C 22.333 0.030 1 31 5 5 LEU N N 114.872 0.044 1 32 6 6 SER H H 8.253 0.015 1 33 6 6 SER HA H 4.092 0.007 1 34 6 6 SER HB2 H 3.884 0.009 2 35 6 6 SER HB3 H 3.872 0.003 2 36 6 6 SER CA C 60.415 0.270 1 37 6 6 SER CB C 63.391 0.154 1 38 6 6 SER N N 109.762 0.048 1 39 7 7 GLN H H 8.673 0.027 1 40 7 7 GLN HA H 3.955 0.007 1 41 7 7 GLN HB2 H 2.048 0.006 1 42 7 7 GLN HB3 H 2.048 0.006 1 43 7 7 GLN CA C 58.425 0.014 1 44 7 7 GLN CB C 28.739 0.325 1 45 7 7 GLN CG C 36.006 0.030 1 46 7 7 GLN N N 117.498 0.039 1 47 8 8 HIS HA H 3.797 0.020 1 48 8 8 HIS HB2 H 1.925 0.003 1 49 8 8 HIS HB3 H 1.925 0.003 1 50 8 8 HIS CA C 59.055 0.030 1 51 8 8 HIS CB C 29.109 0.030 1 52 9 9 GLU H H 7.690 0.013 1 53 9 9 GLU HA H 3.959 0.025 1 54 9 9 GLU HB2 H 1.967 0.014 2 55 9 9 GLU HB3 H 2.043 0.018 2 56 9 9 GLU HG2 H 2.305 0.027 1 57 9 9 GLU HG3 H 2.305 0.027 1 58 9 9 GLU CA C 60.258 0.247 1 59 9 9 GLU CB C 29.227 0.274 1 60 9 9 GLU CG C 36.057 0.045 1 61 9 9 GLU N N 120.354 0.039 1 62 10 10 ARG H H 8.928 0.012 1 63 10 10 ARG HA H 4.099 0.018 1 64 10 10 ARG HB2 H 1.876 0.030 1 65 10 10 ARG HB3 H 1.876 0.030 1 66 10 10 ARG HG2 H 1.601 0.029 1 67 10 10 ARG HG3 H 1.601 0.029 1 68 10 10 ARG CA C 58.221 0.276 1 69 10 10 ARG CB C 29.095 0.008 1 70 10 10 ARG CG C 27.609 0.030 1 71 10 10 ARG CD C 41.999 0.030 1 72 10 10 ARG N N 118.753 0.068 1 73 11 11 TYR H H 7.562 0.027 1 74 11 11 TYR HA H 4.189 0.025 1 75 11 11 TYR HB2 H 3.279 0.047 2 76 11 11 TYR HB3 H 3.011 0.015 2 77 11 11 TYR CA C 61.236 0.302 1 78 11 11 TYR CB C 37.861 0.282 1 79 11 11 TYR N N 121.288 0.103 1 80 12 12 VAL H H 8.075 0.048 1 81 12 12 VAL HA H 3.083 0.018 1 82 12 12 VAL HB H 2.064 0.021 1 83 12 12 VAL HG1 H 0.601 0.012 2 84 12 12 VAL HG2 H 1.118 0.024 2 85 12 12 VAL CA C 66.835 0.240 1 86 12 12 VAL CB C 31.099 0.252 1 87 12 12 VAL CG1 C 23.574 0.099 2 88 12 12 VAL CG2 C 21.025 0.264 2 89 12 12 VAL N N 119.304 0.118 1 90 13 13 GLU H H 8.278 0.012 1 91 13 13 GLU HA H 4.155 0.031 1 92 13 13 GLU HB2 H 2.020 0.003 1 93 13 13 GLU HB3 H 2.020 0.003 1 94 13 13 GLU CA C 59.425 0.197 1 95 13 13 GLU CB C 29.188 0.124 1 96 13 13 GLU N N 119.685 0.026 1 97 14 14 GLN H H 7.653 0.012 1 98 14 14 GLN HA H 3.656 0.017 1 99 14 14 GLN HB2 H 1.887 0.025 2 100 14 14 GLN HB3 H 2.188 0.017 2 101 14 14 GLN HG2 H 2.551 0.009 2 102 14 14 GLN HG3 H 2.529 0.005 2 103 14 14 GLN CA C 59.969 0.268 1 104 14 14 GLN CB C 29.673 0.254 1 105 14 14 GLN CG C 36.883 0.285 1 106 14 14 GLN N N 119.682 0.063 1 107 15 15 LEU H H 8.402 0.022 1 108 15 15 LEU HA H 3.921 0.024 1 109 15 15 LEU HB2 H 1.715 0.029 2 110 15 15 LEU HB3 H 1.817 0.010 2 111 15 15 LEU HG H 1.804 0.003 1 112 15 15 LEU HD1 H 0.327 0.018 2 113 15 15 LEU HD2 H 0.773 0.050 2 114 15 15 LEU CA C 58.455 0.030 1 115 15 15 LEU CB C 40.760 0.030 1 116 15 15 LEU CG C 25.500 0.548 1 117 15 15 LEU CD1 C 21.885 0.235 1 118 15 15 LEU CD2 C 21.885 0.235 1 119 15 15 LEU N N 121.000 0.005 1 120 16 16 LYS HA H 3.696 0.028 1 121 16 16 LYS HB2 H 1.770 0.020 1 122 16 16 LYS HB3 H 1.770 0.020 1 123 16 16 LYS HG2 H 1.314 0.027 1 124 16 16 LYS HG3 H 1.314 0.027 1 125 16 16 LYS HD2 H 1.664 0.021 1 126 16 16 LYS HD3 H 1.664 0.021 1 127 16 16 LYS HE2 H 2.892 0.053 1 128 16 16 LYS HE3 H 2.892 0.053 1 129 16 16 LYS CA C 60.258 0.258 1 130 16 16 LYS CB C 32.135 0.221 1 131 16 16 LYS CG C 25.103 0.250 1 132 16 16 LYS CD C 29.206 0.284 1 133 16 16 LYS CE C 41.199 0.139 1 134 17 17 GLN H H 7.849 0.012 1 135 17 17 GLN HA H 3.887 0.048 1 136 17 17 GLN HB2 H 2.067 0.056 1 137 17 17 GLN HB3 H 2.067 0.056 1 138 17 17 GLN HG2 H 2.397 0.011 2 139 17 17 GLN HG3 H 2.193 0.025 2 140 17 17 GLN CA C 58.442 0.050 1 141 17 17 GLN CB C 28.045 0.146 1 142 17 17 GLN CG C 33.315 0.252 1 143 17 17 GLN N N 117.558 0.092 1 144 18 18 ALA H H 8.504 0.013 1 145 18 18 ALA HA H 3.788 0.012 1 146 18 18 ALA HB H 1.324 0.018 1 147 18 18 ALA CA C 54.893 0.269 1 148 18 18 ALA CB C 17.396 0.240 1 149 18 18 ALA N N 120.288 0.018 1 150 19 19 LEU H H 8.143 0.017 1 151 19 19 LEU HA H 3.759 0.030 1 152 19 19 LEU HB2 H 1.413 0.031 1 153 19 19 LEU HB3 H 1.413 0.031 1 154 19 19 LEU HD1 H 0.605 0.016 1 155 19 19 LEU HD2 H 0.605 0.016 1 156 19 19 LEU CA C 57.552 0.288 1 157 19 19 LEU CB C 40.693 0.025 1 158 19 19 LEU CG C 25.214 0.003 1 159 19 19 LEU CD1 C 22.080 0.235 2 160 19 19 LEU CD2 C 19.890 0.030 2 161 19 19 LEU N N 116.974 0.098 1 162 20 20 LYS H H 8.340 0.015 1 163 20 20 LYS HA H 3.955 0.003 1 164 20 20 LYS HB2 H 1.986 0.003 1 165 20 20 LYS HB3 H 1.986 0.003 1 166 20 20 LYS CA C 59.544 0.963 1 167 20 20 LYS CB C 30.486 1.669 1 168 20 20 LYS N N 117.776 0.062 1 169 21 21 THR H H 7.302 0.020 1 170 21 21 THR HA H 4.107 0.015 1 171 21 21 THR HB H 4.249 0.024 1 172 21 21 THR HG2 H 1.338 0.023 1 173 21 21 THR CA C 64.611 0.308 1 174 21 21 THR CB C 68.811 0.304 1 175 21 21 THR CG2 C 20.963 0.185 1 176 21 21 THR N N 116.373 0.061 1 177 22 22 ARG H H 7.290 0.009 1 178 22 22 ARG HA H 4.362 0.019 1 179 22 22 ARG HB2 H 2.032 0.028 2 180 22 22 ARG HB3 H 1.655 0.036 2 181 22 22 ARG HD2 H 3.137 0.019 1 182 22 22 ARG HD3 H 3.137 0.019 1 183 22 22 ARG CA C 54.065 0.278 1 184 22 22 ARG CB C 29.528 0.152 1 185 22 22 ARG CG C 26.374 0.030 1 186 22 22 ARG CD C 41.481 0.030 1 187 22 22 ARG N N 118.647 0.072 1 188 23 23 GLY H H 7.881 0.009 1 189 23 23 GLY HA2 H 3.858 0.044 1 190 23 23 GLY HA3 H 3.858 0.044 1 191 23 23 GLY CA C 46.112 0.088 1 192 23 23 GLY N N 108.637 0.080 1 193 24 24 VAL H H 7.333 0.003 1 194 24 24 VAL HA H 4.014 0.021 1 195 24 24 VAL HB H 1.942 0.025 1 196 24 24 VAL HG1 H 0.832 0.017 2 197 24 24 VAL HG2 H 0.870 0.043 2 198 24 24 VAL CA C 61.668 0.263 1 199 24 24 VAL CB C 32.372 0.243 1 200 24 24 VAL CG1 C 21.262 0.261 2 201 24 24 VAL CG2 C 25.461 0.030 2 202 24 24 VAL N N 117.390 0.155 1 203 25 25 LYS H H 8.722 0.012 1 204 25 25 LYS HA H 4.332 0.029 1 205 25 25 LYS HB2 H 1.648 0.006 2 206 25 25 LYS HB3 H 2.093 0.018 2 207 25 25 LYS HG2 H 1.392 0.050 1 208 25 25 LYS HG3 H 1.392 0.050 1 209 25 25 LYS HD2 H 1.620 0.056 2 210 25 25 LYS HD3 H 1.531 0.003 2 211 25 25 LYS HE2 H 2.931 0.023 2 212 25 25 LYS HE3 H 3.089 0.057 2 213 25 25 LYS CA C 55.762 0.240 1 214 25 25 LYS CB C 31.761 0.025 1 215 25 25 LYS CG C 24.569 0.140 1 216 25 25 LYS CD C 27.976 0.025 1 217 25 25 LYS CE C 41.806 0.239 1 218 25 25 LYS N N 127.322 0.170 1 219 26 26 VAL H H 7.119 0.073 1 220 26 26 VAL HA H 4.078 0.032 1 221 26 26 VAL HB H 1.754 0.025 1 222 26 26 VAL HG1 H 0.676 0.006 2 223 26 26 VAL HG2 H 0.712 0.042 2 224 26 26 VAL CA C 60.665 0.048 1 225 26 26 VAL CB C 33.647 0.267 1 226 26 26 VAL CG1 C 23.160 0.030 2 227 26 26 VAL CG2 C 21.031 0.234 2 228 26 26 VAL N N 120.568 0.129 1 229 27 27 LYS H H 8.570 0.008 1 230 27 27 LYS HA H 4.326 0.026 1 231 27 27 LYS HB2 H 1.654 0.011 1 232 27 27 LYS HB3 H 1.654 0.011 1 233 27 27 LYS HG2 H 1.387 0.018 1 234 27 27 LYS HG3 H 1.387 0.018 1 235 27 27 LYS HD2 H 1.621 0.006 1 236 27 27 LYS HD3 H 1.621 0.006 1 237 27 27 LYS HE2 H 2.930 0.012 1 238 27 27 LYS HE3 H 2.930 0.012 1 239 27 27 LYS CA C 55.411 0.046 1 240 27 27 LYS CB C 31.959 0.267 1 241 27 27 LYS CG C 24.581 0.027 1 242 27 27 LYS CD C 28.791 0.257 1 243 27 27 LYS CE C 41.952 0.017 1 244 27 27 LYS N N 125.675 0.086 1 245 28 28 TYR HA H 4.017 0.046 1 246 28 28 TYR HB2 H 2.920 0.003 1 247 28 28 TYR HB3 H 2.920 0.003 1 248 28 28 TYR CA C 56.412 0.030 1 249 28 28 TYR CB C 40.840 0.030 1 250 29 29 ALA H H 8.323 0.008 1 251 29 29 ALA HA H 3.668 0.029 1 252 29 29 ALA HB H 1.163 0.021 1 253 29 29 ALA CA C 54.678 0.325 1 254 29 29 ALA CB C 18.000 0.319 1 255 29 29 ALA N N 120.743 0.140 1 256 30 30 ASP H H 6.872 0.012 1 257 30 30 ASP HA H 4.281 0.059 1 258 30 30 ASP HB2 H 2.699 0.035 2 259 30 30 ASP HB3 H 2.718 0.014 2 260 30 30 ASP CA C 56.553 0.123 1 261 30 30 ASP CB C 39.807 0.314 1 262 30 30 ASP N N 117.202 0.053 1 263 31 31 LEU H H 7.433 0.015 1 264 31 31 LEU HA H 3.546 0.009 1 265 31 31 LEU HB2 H 1.801 0.002 1 266 31 31 LEU HB3 H 1.801 0.002 1 267 31 31 LEU CA C 56.725 0.304 1 268 31 31 LEU CB C 40.658 0.030 1 269 31 31 LEU CG C 24.766 0.030 1 270 31 31 LEU CD1 C 21.986 0.030 1 271 31 31 LEU CD2 C 21.986 0.030 1 272 31 31 LEU N N 122.273 0.131 1 273 32 32 LEU H H 8.727 0.016 1 274 32 32 LEU HA H 3.615 0.012 1 275 32 32 LEU HB2 H 1.659 0.022 1 276 32 32 LEU HB3 H 1.659 0.022 1 277 32 32 LEU CA C 58.096 0.315 1 278 32 32 LEU CB C 40.542 0.070 1 279 32 32 LEU CG C 25.499 0.030 1 280 32 32 LEU CD1 C 21.989 0.030 1 281 32 32 LEU CD2 C 21.989 0.030 1 282 32 32 LEU N N 123.376 0.077 1 283 33 33 LYS H H 7.149 0.013 1 284 33 33 LYS HA H 4.213 0.026 1 285 33 33 LYS HB2 H 1.891 0.011 2 286 33 33 LYS HB3 H 1.479 0.002 2 287 33 33 LYS HG2 H 1.387 0.041 1 288 33 33 LYS HG3 H 1.387 0.041 1 289 33 33 LYS HD2 H 1.599 0.048 2 290 33 33 LYS HD3 H 1.519 0.003 2 291 33 33 LYS HE2 H 2.981 0.039 1 292 33 33 LYS HE3 H 2.981 0.039 1 293 33 33 LYS CA C 59.098 0.291 1 294 33 33 LYS CB C 31.890 0.219 1 295 33 33 LYS CG C 25.034 0.179 1 296 33 33 LYS CD C 28.316 0.088 1 297 33 33 LYS CE C 42.389 0.026 1 298 33 33 LYS N N 118.078 0.061 1 299 34 34 PHE H H 7.633 0.022 1 300 34 34 PHE CA C 56.695 0.030 1 301 34 34 PHE CB C 41.219 0.030 1 302 34 34 PHE N N 117.398 0.085 1 303 35 35 PHE HA H 3.793 0.026 1 304 35 35 PHE HB2 H 2.967 0.001 2 305 35 35 PHE HB3 H 2.898 0.022 2 306 35 35 PHE CA C 61.592 0.283 1 307 35 35 PHE CB C 37.014 0.328 1 308 36 36 ASP H H 8.330 0.010 1 309 36 36 ASP HA H 4.096 0.022 1 310 36 36 ASP HB2 H 2.931 0.003 1 311 36 36 ASP HB3 H 2.931 0.003 1 312 36 36 ASP CA C 56.941 0.200 1 313 36 36 ASP CB C 39.104 0.044 1 314 36 36 ASP N N 120.136 0.050 1 315 37 37 PHE H H 7.794 0.008 1 316 37 37 PHE HA H 4.258 0.019 1 317 37 37 PHE HB2 H 2.742 0.043 2 318 37 37 PHE HB3 H 3.272 0.045 2 319 37 37 PHE CA C 59.698 1.432 1 320 37 37 PHE CB C 40.185 1.632 1 321 37 37 PHE N N 121.883 0.065 1 322 38 38 VAL H H 8.262 0.028 1 323 38 38 VAL HA H 3.039 0.026 1 324 38 38 VAL HB H 2.227 0.014 1 325 38 38 VAL HG1 H 0.650 0.012 2 326 38 38 VAL HG2 H 0.488 0.019 2 327 38 38 VAL CA C 66.882 0.255 1 328 38 38 VAL CB C 30.688 0.260 1 329 38 38 VAL CG1 C 23.710 0.247 2 330 38 38 VAL CG2 C 20.759 0.075 2 331 38 38 VAL N N 118.525 0.098 1 332 39 39 LYS HA H 3.456 0.014 1 333 39 39 LYS HB2 H 1.978 0.006 1 334 39 39 LYS HB3 H 1.978 0.006 1 335 39 39 LYS HG2 H 1.400 0.049 1 336 39 39 LYS HG3 H 1.400 0.049 1 337 39 39 LYS CA C 59.054 0.296 1 338 39 39 LYS CB C 31.696 0.287 1 339 39 39 LYS CG C 24.948 0.189 1 340 39 39 LYS CD C 29.451 0.124 1 341 39 39 LYS CE C 42.279 0.013 1 342 40 40 ASP HA H 4.445 0.041 1 343 40 40 ASP HB2 H 2.623 0.024 2 344 40 40 ASP HB3 H 2.684 0.003 2 345 40 40 ASP CA C 56.985 0.560 1 346 40 40 ASP CB C 40.692 0.300 1 347 41 41 ILE H H 8.788 0.007 1 348 41 41 ILE HA H 4.025 0.023 1 349 41 41 ILE HB H 1.698 0.045 1 350 41 41 ILE HG12 H 0.917 0.033 2 351 41 41 ILE HG13 H 1.036 0.034 2 352 41 41 ILE HG2 H 0.732 0.013 1 353 41 41 ILE HD1 H 0.683 0.007 1 354 41 41 ILE CA C 61.652 0.295 1 355 41 41 ILE CB C 38.064 0.057 1 356 41 41 ILE CG1 C 27.809 0.055 1 357 41 41 ILE CG2 C 17.470 0.231 1 358 41 41 ILE CD1 C 13.714 0.227 1 359 41 41 ILE N N 120.641 0.099 1 360 42 42 CYS H H 7.180 0.035 1 361 42 42 CYS CA C 56.172 0.030 1 362 42 42 CYS CB C 28.324 0.030 1 363 42 42 CYS N N 117.896 0.077 1 364 43 43 PRO HA H 4.315 0.013 1 365 43 43 PRO HB2 H 2.114 0.034 2 366 43 43 PRO HB3 H 2.423 0.031 2 367 43 43 PRO HG2 H 1.922 0.011 2 368 43 43 PRO HG3 H 2.074 0.024 2 369 43 43 PRO HD2 H 3.889 0.015 1 370 43 43 PRO HD3 H 3.889 0.015 1 371 43 43 PRO CA C 65.003 0.254 1 372 43 43 PRO CB C 30.715 0.401 1 373 43 43 PRO CG C 26.956 0.259 1 374 43 43 PRO CD C 50.941 0.262 1 375 44 44 TRP H H 6.591 0.021 1 376 44 44 TRP HA H 4.305 0.006 1 377 44 44 TRP HB2 H 3.055 0.003 1 378 44 44 TRP HB3 H 3.055 0.003 1 379 44 44 TRP CA C 55.398 0.020 1 380 44 44 TRP CB C 27.811 0.024 1 381 44 44 TRP N N 113.823 0.043 1 382 45 45 PHE H H 7.239 0.007 1 383 45 45 PHE HA H 4.001 0.012 1 384 45 45 PHE HB2 H 2.608 0.052 2 385 45 45 PHE HB3 H 2.515 0.015 2 386 45 45 PHE CA C 62.809 0.316 1 387 45 45 PHE CB C 34.935 0.125 1 388 45 45 PHE N N 123.100 0.070 1 389 46 46 PRO HA H 4.012 0.025 1 390 46 46 PRO HB2 H 2.156 0.010 2 391 46 46 PRO HB3 H 1.955 0.032 2 392 46 46 PRO HG2 H 2.094 0.006 1 393 46 46 PRO HG3 H 2.094 0.006 1 394 46 46 PRO HD2 H 3.632 0.013 2 395 46 46 PRO HD3 H 3.219 0.037 2 396 46 46 PRO CA C 64.531 0.274 1 397 46 46 PRO CB C 30.487 0.363 1 398 46 46 PRO CG C 27.657 0.310 1 399 46 46 PRO CD C 49.891 0.310 1 400 47 47 GLN H H 6.518 0.007 1 401 47 47 GLN HA H 3.937 0.017 1 402 47 47 GLN HB2 H 2.216 0.058 2 403 47 47 GLN HB3 H 2.038 0.025 2 404 47 47 GLN HG2 H 2.449 0.005 2 405 47 47 GLN HG3 H 2.411 0.012 2 406 47 47 GLN CA C 58.404 0.295 1 407 47 47 GLN CB C 28.320 0.087 1 408 47 47 GLN CG C 33.405 0.268 1 409 47 47 GLN N N 114.502 0.070 1 410 48 48 GLU H H 7.318 0.003 1 411 48 48 GLU HA H 4.038 0.015 1 412 48 48 GLU HB2 H 2.091 0.025 1 413 48 48 GLU HB3 H 2.091 0.025 1 414 48 48 GLU CA C 58.172 0.075 1 415 48 48 GLU CB C 28.954 0.261 1 416 48 48 GLU CG C 36.107 0.030 1 417 48 48 GLU N N 117.358 0.091 1 418 49 49 GLY H H 7.296 0.019 1 419 49 49 GLY HA2 H 3.164 0.034 2 420 49 49 GLY HA3 H 3.495 0.041 2 421 49 49 GLY CA C 47.303 0.067 1 422 49 49 GLY N N 105.534 0.076 1 423 50 50 THR H H 7.597 0.014 1 424 50 50 THR HA H 4.234 0.041 1 425 50 50 THR HB H 3.512 0.023 1 426 50 50 THR HG2 H 1.143 0.018 1 427 50 50 THR CA C 61.683 0.286 1 428 50 50 THR CB C 70.718 0.314 1 429 50 50 THR CG2 C 21.220 0.310 1 430 50 50 THR N N 114.069 0.085 1 431 51 51 ILE HA H 4.125 0.004 1 432 51 51 ILE HB H 1.945 0.016 1 433 51 51 ILE HG12 H 1.190 0.013 2 434 51 51 ILE HG13 H 1.249 0.016 2 435 51 51 ILE HG2 H 0.752 0.034 1 436 51 51 ILE HD1 H 0.611 0.012 1 437 51 51 ILE CA C 59.870 0.513 1 438 51 51 ILE CB C 35.288 0.306 1 439 51 51 ILE CG1 C 26.964 0.390 1 440 51 51 ILE CG2 C 17.835 0.030 1 441 51 51 ILE CD1 C 12.459 0.219 1 442 52 52 ASP H H 7.168 0.016 1 443 52 52 ASP HA H 4.623 0.036 1 444 52 52 ASP HB2 H 3.093 0.030 2 445 52 52 ASP HB3 H 2.728 0.023 2 446 52 52 ASP CA C 51.732 0.258 1 447 52 52 ASP CB C 42.461 0.034 1 448 52 52 ASP N N 121.791 0.077 1 449 53 53 ILE H H 8.336 0.043 1 450 53 53 ILE HA H 4.135 0.018 1 451 53 53 ILE HB H 1.907 0.029 1 452 53 53 ILE HG12 H 1.545 0.020 2 453 53 53 ILE HG13 H 1.533 0.012 2 454 53 53 ILE HG2 H 1.047 0.013 1 455 53 53 ILE HD1 H 0.980 0.024 1 456 53 53 ILE CA C 61.796 0.252 1 457 53 53 ILE CB C 37.815 0.247 1 458 53 53 ILE CG1 C 28.200 0.250 1 459 53 53 ILE CG2 C 17.940 0.210 1 460 53 53 ILE CD1 C 13.402 0.231 1 461 53 53 ILE N N 119.537 0.067 1 462 54 54 LYS H H 8.104 0.011 1 463 54 54 LYS HA H 4.105 0.022 1 464 54 54 LYS HB2 H 1.875 0.024 1 465 54 54 LYS HB3 H 1.875 0.024 1 466 54 54 LYS HG2 H 1.441 0.027 1 467 54 54 LYS HG3 H 1.441 0.027 1 468 54 54 LYS HD2 H 1.720 0.003 1 469 54 54 LYS HD3 H 1.720 0.003 1 470 54 54 LYS HE2 H 2.966 0.019 1 471 54 54 LYS HE3 H 2.966 0.019 1 472 54 54 LYS CA C 59.972 0.245 1 473 54 54 LYS CB C 31.748 0.190 1 474 54 54 LYS CG C 25.432 0.030 1 475 54 54 LYS CD C 27.269 0.030 1 476 54 54 LYS CE C 41.781 0.030 1 477 54 54 LYS N N 123.592 0.061 1 478 55 55 ARG H H 9.196 0.027 1 479 55 55 ARG HA H 4.301 0.041 1 480 55 55 ARG HB2 H 1.994 0.036 1 481 55 55 ARG HB3 H 1.994 0.036 1 482 55 55 ARG CA C 59.903 0.124 1 483 55 55 ARG CB C 30.056 0.149 1 484 55 55 ARG N N 120.511 0.072 1 485 56 56 TRP H H 8.899 0.005 1 486 56 56 TRP HA H 4.703 0.037 1 487 56 56 TRP HB2 H 3.292 0.039 1 488 56 56 TRP HB3 H 3.292 0.039 1 489 56 56 TRP CA C 59.406 0.065 1 490 56 56 TRP CB C 30.014 0.085 1 491 56 56 TRP N N 120.681 0.054 1 492 57 57 ARG H H 9.210 0.011 1 493 57 57 ARG HA H 4.407 0.017 1 494 57 57 ARG HB2 H 2.169 0.026 1 495 57 57 ARG HB3 H 2.169 0.026 1 496 57 57 ARG HD2 H 3.249 0.015 1 497 57 57 ARG HD3 H 3.249 0.015 1 498 57 57 ARG CA C 60.027 0.288 1 499 57 57 ARG CB C 29.786 0.311 1 500 57 57 ARG CG C 27.797 0.093 1 501 57 57 ARG CD C 43.085 0.335 1 502 57 57 ARG N N 122.115 0.102 1 503 58 58 ARG H H 7.640 0.013 1 504 58 58 ARG CA C 59.845 0.030 1 505 58 58 ARG CB C 29.729 0.030 1 506 58 58 ARG N N 120.918 0.064 1 507 59 59 VAL H H 7.916 0.006 1 508 59 59 VAL HA H 3.764 0.020 1 509 59 59 VAL HB H 1.508 0.021 1 510 59 59 VAL HG1 H -0.332 0.010 2 511 59 59 VAL HG2 H 0.458 0.012 2 512 59 59 VAL CA C 66.000 0.257 1 513 59 59 VAL CB C 30.832 0.270 1 514 59 59 VAL CG1 C 22.742 0.219 2 515 59 59 VAL CG2 C 20.414 0.189 2 516 60 60 GLY H H 7.623 0.013 1 517 60 60 GLY HA2 H 4.097 0.034 1 518 60 60 GLY HA3 H 4.097 0.034 1 519 60 60 GLY CA C 46.081 0.062 1 520 60 60 GLY N N 106.856 0.056 1 521 61 61 ASP H H 8.203 0.019 1 522 61 61 ASP HA H 4.225 0.042 1 523 61 61 ASP HB2 H 2.684 0.025 2 524 61 61 ASP HB3 H 2.640 0.043 2 525 61 61 ASP CA C 56.800 0.168 1 526 61 61 ASP CB C 39.484 0.307 1 527 61 61 ASP N N 123.308 0.033 1 528 62 62 CYS H H 7.795 0.003 1 529 62 62 CYS HA H 4.238 0.017 1 530 62 62 CYS HB2 H 3.168 0.039 2 531 62 62 CYS HB3 H 2.804 0.043 2 532 62 62 CYS CA C 62.950 0.051 1 533 62 62 CYS CB C 26.503 0.055 1 534 62 62 CYS N N 120.841 0.061 1 535 63 63 PHE H H 8.647 0.014 1 536 63 63 PHE HA H 4.278 0.013 1 537 63 63 PHE HB2 H 2.952 0.003 1 538 63 63 PHE HB3 H 2.952 0.003 1 539 63 63 PHE CA C 58.657 0.050 1 540 63 63 PHE CB C 36.990 0.003 1 541 63 63 PHE N N 119.763 0.064 1 542 64 64 GLN H H 8.261 0.019 1 543 64 64 GLN HA H 4.308 0.044 1 544 64 64 GLN HB2 H 2.166 0.025 1 545 64 64 GLN HB3 H 2.166 0.025 1 546 64 64 GLN CA C 59.333 0.014 1 547 64 64 GLN CB C 28.579 0.311 1 548 64 64 GLN CG C 36.538 0.030 1 549 64 64 GLN N N 118.578 0.112 1 550 65 65 ASP H H 8.338 0.013 1 551 65 65 ASP HA H 4.484 0.014 1 552 65 65 ASP HB2 H 2.779 0.013 1 553 65 65 ASP HB3 H 2.779 0.013 1 554 65 65 ASP CA C 57.329 0.374 1 555 65 65 ASP CB C 39.671 0.283 1 556 65 65 ASP N N 119.534 0.070 1 557 66 66 TYR H H 7.804 0.015 1 558 66 66 TYR HA H 4.502 0.023 1 559 66 66 TYR HB2 H 3.306 0.027 2 560 66 66 TYR HB3 H 3.004 0.027 2 561 66 66 TYR CA C 61.231 0.308 1 562 66 66 TYR CB C 38.433 0.280 1 563 66 66 TYR N N 123.600 0.066 1 564 67 67 TYR H H 9.100 0.013 1 565 67 67 TYR HA H 3.997 0.031 1 566 67 67 TYR HB2 H 3.274 0.027 2 567 67 67 TYR HB3 H 3.029 0.043 2 568 67 67 TYR CA C 61.903 0.220 1 569 67 67 TYR CB C 38.946 0.253 1 570 67 67 TYR N N 122.825 0.045 1 571 68 68 ASN H H 8.853 0.023 1 572 68 68 ASN HA H 4.283 0.046 1 573 68 68 ASN HB2 H 2.876 0.012 1 574 68 68 ASN HB3 H 2.876 0.012 1 575 68 68 ASN CA C 55.432 0.051 1 576 68 68 ASN CB C 37.876 0.002 1 577 68 68 ASN N N 118.826 0.059 1 578 69 69 THR H H 7.847 0.005 1 579 69 69 THR HA H 3.837 0.012 1 580 69 69 THR HB H 3.548 0.027 1 581 69 69 THR HG2 H 0.245 0.007 1 582 69 69 THR CA C 65.328 0.296 1 583 69 69 THR CB C 69.249 0.296 1 584 69 69 THR CG2 C 20.540 0.303 1 585 69 69 THR N N 114.242 0.067 1 586 70 70 PHE H H 8.489 0.003 1 587 70 70 PHE HA H 4.564 0.026 1 588 70 70 PHE HB2 H 3.153 0.021 1 589 70 70 PHE HB3 H 3.153 0.021 1 590 70 70 PHE CA C 58.242 0.282 1 591 70 70 PHE CB C 41.074 0.149 1 592 70 70 PHE N N 117.970 0.081 1 593 71 71 GLY H H 7.968 0.023 1 594 71 71 GLY CA C 45.032 0.030 1 595 71 71 GLY N N 109.516 0.080 1 596 72 72 PRO HA H 4.711 0.031 1 597 72 72 PRO HB2 H 2.343 0.043 2 598 72 72 PRO HB3 H 2.048 0.019 2 599 72 72 PRO HG2 H 2.008 0.007 2 600 72 72 PRO HG3 H 2.074 0.040 2 601 72 72 PRO HD2 H 3.278 0.015 2 602 72 72 PRO HD3 H 2.942 0.021 2 603 72 72 PRO CA C 63.297 0.135 1 604 72 72 PRO CB C 31.744 0.118 1 605 72 72 PRO CG C 26.885 0.280 1 606 72 72 PRO CD C 49.919 0.241 1 607 73 73 GLU H H 8.586 0.006 1 608 73 73 GLU HA H 3.899 0.043 1 609 73 73 GLU HB2 H 2.223 0.016 2 610 73 73 GLU HB3 H 1.981 0.019 2 611 73 73 GLU HG2 H 2.437 0.008 2 612 73 73 GLU HG3 H 2.348 0.035 2 613 73 73 GLU CA C 58.736 0.110 1 614 73 73 GLU CB C 28.863 0.246 1 615 73 73 GLU CG C 36.096 0.287 1 616 73 73 GLU N N 117.720 0.046 1 617 74 74 LYS H H 7.505 0.013 1 618 74 74 LYS HA H 4.389 0.027 1 619 74 74 LYS HB2 H 2.028 0.032 2 620 74 74 LYS HB3 H 1.946 0.015 2 621 74 74 LYS HG2 H 1.368 0.007 1 622 74 74 LYS HG3 H 1.368 0.007 1 623 74 74 LYS HD2 H 1.576 0.027 1 624 74 74 LYS HD3 H 1.576 0.027 1 625 74 74 LYS HE2 H 3.200 0.020 1 626 74 74 LYS HE3 H 3.200 0.020 1 627 74 74 LYS CA C 55.185 0.239 1 628 74 74 LYS CB C 34.087 0.264 1 629 74 74 LYS CG C 24.504 0.079 1 630 74 74 LYS CD C 28.233 0.179 1 631 74 74 LYS CE C 41.841 0.147 1 632 74 74 LYS N N 116.974 0.064 1 633 75 75 VAL H H 7.402 0.021 1 634 75 75 VAL HA H 4.313 0.037 1 635 75 75 VAL HB H 2.273 0.012 1 636 75 75 VAL HG1 H 0.894 0.021 2 637 75 75 VAL HG2 H 1.034 0.055 2 638 75 75 VAL CA C 62.045 0.033 1 639 75 75 VAL CB C 31.984 0.332 1 640 75 75 VAL CG1 C 23.154 0.030 2 641 75 75 VAL CG2 C 20.909 0.250 2 642 75 75 VAL N N 117.309 0.088 1 643 76 76 PRO HA H 4.562 0.045 1 644 76 76 PRO HB2 H 1.985 0.022 2 645 76 76 PRO HB3 H 2.245 0.031 2 646 76 76 PRO HG2 H 1.787 0.003 2 647 76 76 PRO HG3 H 1.672 0.037 2 648 76 76 PRO HD2 H 3.334 0.019 1 649 76 76 PRO HD3 H 3.334 0.019 1 650 76 76 PRO CA C 61.687 0.291 1 651 76 76 PRO CB C 31.731 0.206 1 652 76 76 PRO CG C 27.461 0.071 1 653 76 76 PRO CD C 49.265 0.256 1 654 77 77 VAL H H 8.473 0.003 1 655 77 77 VAL HA H 3.828 0.016 1 656 77 77 VAL HB H 2.142 0.012 1 657 77 77 VAL HG1 H 1.095 0.042 2 658 77 77 VAL HG2 H 0.964 0.022 2 659 77 77 VAL CA C 65.838 0.351 1 660 77 77 VAL CB C 31.387 0.232 1 661 77 77 VAL CG1 C 21.196 0.313 2 662 77 77 VAL CG2 C 18.615 0.030 2 663 77 77 VAL N N 120.870 0.035 1 664 78 78 ILE H H 8.388 0.055 1 665 78 78 ILE HA H 3.852 0.018 1 666 78 78 ILE HB H 1.456 0.021 1 667 78 78 ILE HG12 H 0.562 0.048 2 668 78 78 ILE HG13 H 0.592 0.037 2 669 78 78 ILE HG2 H 0.610 0.028 1 670 78 78 ILE HD1 H 0.100 0.013 1 671 78 78 ILE CA C 61.125 0.225 1 672 78 78 ILE CB C 37.135 0.104 1 673 78 78 ILE CG1 C 26.937 0.003 1 674 78 78 ILE CG2 C 17.854 0.243 1 675 78 78 ILE CD1 C 10.567 0.215 1 676 79 79 ALA H H 7.953 0.025 1 677 79 79 ALA HA H 3.890 0.021 1 678 79 79 ALA HB H 0.925 0.014 1 679 79 79 ALA CA C 54.889 0.308 1 680 79 79 ALA CB C 17.623 0.249 1 681 79 79 ALA N N 123.960 0.077 1 682 80 80 PHE H H 7.499 0.020 1 683 80 80 PHE HA H 4.431 0.068 1 684 80 80 PHE HB2 H 2.876 0.025 2 685 80 80 PHE HB3 H 2.750 0.045 2 686 80 80 PHE CA C 61.312 0.411 1 687 80 80 PHE CB C 37.656 0.319 1 688 80 80 PHE N N 114.330 0.059 1 689 81 81 SER H H 8.225 0.003 1 690 81 81 SER HA H 4.206 0.025 1 691 81 81 SER HB2 H 3.749 0.003 1 692 81 81 SER HB3 H 3.749 0.003 1 693 81 81 SER CA C 58.432 0.005 1 694 81 81 SER CB C 63.575 0.055 1 695 81 81 SER N N 115.971 0.037 1 696 82 82 TYR H H 8.378 0.008 1 697 82 82 TYR HA H 4.447 0.035 1 698 82 82 TYR HB2 H 2.954 0.003 1 699 82 82 TYR HB3 H 2.954 0.003 1 700 82 82 TYR CA C 55.885 0.281 1 701 82 82 TYR CB C 37.838 0.156 1 702 82 82 TYR N N 121.997 0.019 1 703 83 83 TRP H H 8.546 0.017 1 704 83 83 TRP CA C 57.393 0.030 1 705 83 83 TRP CB C 28.894 0.030 1 706 83 83 TRP N N 120.268 0.042 1 707 84 84 ASN HA H 4.220 0.023 1 708 84 84 ASN HB2 H 2.916 0.026 2 709 84 84 ASN HB3 H 3.120 0.041 2 710 84 84 ASN CA C 56.629 0.285 1 711 84 84 ASN CB C 39.065 0.299 1 712 85 85 LEU HA H 4.046 0.027 1 713 85 85 LEU HB2 H 1.755 0.039 1 714 85 85 LEU HB3 H 1.755 0.039 1 715 85 85 LEU HD1 H 0.795 0.009 1 716 85 85 LEU HD2 H 0.795 0.009 1 717 85 85 LEU CA C 58.142 0.331 1 718 85 85 LEU CB C 41.692 0.042 1 719 85 85 LEU CG C 28.028 0.030 1 720 85 85 LEU CD1 C 25.069 0.030 1 721 85 85 LEU CD2 C 25.069 0.030 1 722 86 86 ILE H H 7.882 0.010 1 723 86 86 ILE HA H 3.446 0.030 1 724 86 86 ILE HB H 1.923 0.009 1 725 86 86 ILE HG12 H 1.408 0.003 2 726 86 86 ILE HG13 H 1.383 0.012 2 727 86 86 ILE HG2 H -0.518 0.020 1 728 86 86 ILE HD1 H 0.779 0.019 1 729 86 86 ILE CA C 61.283 0.098 1 730 86 86 ILE CB C 34.412 0.241 1 731 86 86 ILE CG1 C 28.365 0.115 1 732 86 86 ILE CG2 C 16.265 0.233 1 733 86 86 ILE CD1 C 9.198 0.225 1 734 86 86 ILE N N 117.000 0.075 1 735 87 87 LYS HA H 3.226 0.035 1 736 87 87 LYS HB2 H 1.706 0.046 1 737 87 87 LYS HB3 H 1.706 0.046 1 738 87 87 LYS HD2 H 1.561 0.006 1 739 87 87 LYS HD3 H 1.561 0.006 1 740 87 87 LYS CA C 59.996 0.384 1 741 87 87 LYS CB C 31.050 0.175 1 742 87 87 LYS CG C 23.881 0.039 1 743 87 87 LYS CD C 29.118 0.283 1 744 87 87 LYS CE C 41.927 0.099 1 745 88 88 GLU H H 7.689 0.014 1 746 88 88 GLU HA H 3.847 0.021 1 747 88 88 GLU HB2 H 1.977 0.029 1 748 88 88 GLU HB3 H 1.977 0.029 1 749 88 88 GLU HG2 H 2.248 0.010 1 750 88 88 GLU HG3 H 2.248 0.010 1 751 88 88 GLU CA C 58.911 0.254 1 752 88 88 GLU CB C 28.969 0.263 1 753 88 88 GLU CG C 35.479 0.302 1 754 88 88 GLU N N 116.404 0.075 1 755 89 89 LEU H H 7.415 0.026 1 756 89 89 LEU HA H 3.889 0.021 1 757 89 89 LEU HB2 H 2.455 0.034 2 758 89 89 LEU HB3 H 1.216 0.026 2 759 89 89 LEU CA C 57.963 0.271 1 760 89 89 LEU CB C 41.300 0.159 1 761 89 89 LEU CG C 25.820 0.030 1 762 89 89 LEU CD1 C 22.671 0.030 2 763 89 89 LEU CD2 C 23.941 0.030 2 764 89 89 LEU N N 118.193 0.076 1 765 90 90 ILE H H 7.718 0.013 1 766 90 90 ILE HA H 3.418 0.012 1 767 90 90 ILE HB H 1.334 0.010 1 768 90 90 ILE HG12 H 1.503 0.016 2 769 90 90 ILE HG13 H 1.354 0.013 2 770 90 90 ILE HG2 H 0.418 0.021 1 771 90 90 ILE HD1 H 0.229 0.016 1 772 90 90 ILE CA C 64.908 0.276 1 773 90 90 ILE CB C 37.594 0.276 1 774 90 90 ILE CG1 C 29.350 0.117 1 775 90 90 ILE CG2 C 17.194 0.232 1 776 90 90 ILE CD1 C 13.990 0.215 1 777 90 90 ILE N N 115.471 0.054 1 778 91 91 ASP HA H 3.720 0.003 1 779 91 91 ASP HB2 H 1.787 0.035 1 780 91 91 ASP HB3 H 1.787 0.035 1 781 91 91 ASP CA C 57.664 0.030 1 782 91 91 ASP CB C 40.532 0.022 1 783 92 92 LYS H H 7.869 0.018 1 784 92 92 LYS CA C 58.897 0.030 1 785 92 92 LYS CB C 31.988 0.030 1 786 92 92 LYS N N 119.253 0.074 1 787 93 93 LYS HA H 4.531 0.037 1 788 93 93 LYS HB2 H 2.013 0.025 2 789 93 93 LYS HB3 H 2.681 0.016 2 790 93 93 LYS HG2 H 1.260 0.041 2 791 93 93 LYS HG3 H 1.832 0.002 2 792 93 93 LYS HD2 H 1.710 0.017 1 793 93 93 LYS HD3 H 1.710 0.017 1 794 93 93 LYS HE2 H 2.975 0.018 1 795 93 93 LYS HE3 H 2.975 0.018 1 796 93 93 LYS CA C 55.258 0.280 1 797 93 93 LYS CB C 32.169 0.103 1 798 93 93 LYS CG C 24.703 0.166 1 799 93 93 LYS CD C 29.014 0.281 1 800 93 93 LYS CE C 41.797 0.274 1 801 94 94 GLU H H 8.393 0.019 1 802 94 94 GLU HA H 4.133 0.029 1 803 94 94 GLU HB2 H 2.193 0.030 1 804 94 94 GLU HB3 H 2.193 0.030 1 805 94 94 GLU CA C 59.319 0.468 1 806 94 94 GLU CB C 27.375 0.070 1 807 94 94 GLU N N 116.729 0.031 1 808 95 95 VAL H H 7.923 0.014 1 809 95 95 VAL HA H 4.482 0.002 1 810 95 95 VAL HB H 1.072 0.018 1 811 95 95 VAL HG1 H 0.515 0.007 2 812 95 95 VAL HG2 H 0.484 0.035 2 813 95 95 VAL CA C 66.721 0.109 1 814 95 95 VAL CB C 33.894 0.119 1 815 95 95 VAL CG1 C 20.961 0.261 2 816 95 95 VAL CG2 C 23.738 0.030 2 817 95 95 VAL N N 121.696 0.083 1 818 97 97 PRO HA H 4.358 0.022 1 819 97 97 PRO HB2 H 1.827 0.056 2 820 97 97 PRO HB3 H 2.219 0.004 2 821 97 97 PRO HG2 H 1.955 0.004 2 822 97 97 PRO HG3 H 1.919 0.004 2 823 97 97 PRO HD2 H 3.723 0.017 1 824 97 97 PRO HD3 H 3.723 0.020 1 825 97 97 PRO CA C 62.607 0.369 1 826 97 97 PRO CB C 31.874 0.041 1 827 97 97 PRO CG C 26.855 0.044 1 828 97 97 PRO CD C 50.466 0.277 1 829 98 98 GLN H H 8.359 0.028 1 830 98 98 GLN HA H 3.925 0.024 1 831 98 98 GLN HB2 H 2.181 0.024 2 832 98 98 GLN HB3 H 2.417 0.038 2 833 98 98 GLN HG2 H 2.347 0.021 1 834 98 98 GLN HG3 H 2.347 0.021 1 835 98 98 GLN CA C 58.608 0.233 1 836 98 98 GLN CB C 28.521 0.421 1 837 98 98 GLN CG C 33.524 0.290 1 838 98 98 GLN N N 117.731 0.080 1 839 99 99 VAL H H 7.901 0.015 1 840 99 99 VAL HA H 3.420 0.029 1 841 99 99 VAL HB H 2.117 0.029 1 842 99 99 VAL HG1 H 0.791 0.028 2 843 99 99 VAL HG2 H 0.832 0.023 2 844 99 99 VAL CA C 66.404 0.255 1 845 99 99 VAL CB C 31.619 0.177 1 846 99 99 VAL CG1 C 25.380 0.030 2 847 99 99 VAL CG2 C 21.776 0.361 2 848 99 99 VAL N N 121.326 0.082 1 849 100 100 MET H H 7.509 0.046 1 850 100 100 MET HA H 3.812 0.043 1 851 100 100 MET HB2 H 1.442 0.001 1 852 100 100 MET HB3 H 1.442 0.001 1 853 100 100 MET CA C 59.297 0.055 1 854 100 100 MET CB C 32.099 0.092 1 855 100 100 MET N N 120.447 0.099 1 856 101 101 ALA H H 7.889 0.013 1 857 101 101 ALA HA H 4.210 0.008 1 858 101 101 ALA HB H 1.396 0.022 1 859 101 101 ALA CA C 54.752 0.292 1 860 101 101 ALA CB C 17.521 0.249 1 861 101 101 ALA N N 119.458 0.072 1 862 102 102 ALA H H 7.563 0.065 1 863 102 102 ALA HA H 3.993 0.016 1 864 102 102 ALA HB H 1.292 0.016 1 865 102 102 ALA CA C 54.888 0.285 1 866 102 102 ALA CB C 17.344 0.227 1 867 102 102 ALA N N 119.627 0.078 1 868 103 103 VAL H H 8.828 0.025 1 869 103 103 VAL HA H 4.073 0.022 1 870 103 103 VAL HB H 1.913 0.018 1 871 103 103 VAL HG1 H 0.773 0.029 2 872 103 103 VAL HG2 H 1.003 0.023 2 873 103 103 VAL CA C 61.685 0.378 1 874 103 103 VAL CB C 33.222 0.030 1 875 103 103 VAL CG1 C 25.188 0.030 2 876 103 103 VAL CG2 C 20.874 0.264 2 877 103 103 VAL N N 122.690 0.049 1 878 104 104 ALA H H 8.367 0.016 1 879 104 104 ALA HA H 4.269 0.011 1 880 104 104 ALA HB H 1.260 0.047 1 881 104 104 ALA CA C 52.141 0.346 1 882 104 104 ALA CB C 18.940 0.069 1 883 104 104 ALA N N 128.041 0.057 1 884 105 105 GLN H H 8.356 0.017 1 885 105 105 GLN CA C 56.931 0.030 1 886 105 105 GLN CB C 29.020 0.030 1 887 105 105 GLN N N 120.265 0.048 1 888 106 106 THR HA H 4.320 0.017 1 889 106 106 THR HB H 4.210 0.003 1 890 106 106 THR HG2 H 1.102 0.031 1 891 106 106 THR CA C 61.346 0.369 1 892 106 106 THR CB C 69.293 0.362 1 893 106 106 THR CG2 C 20.691 0.389 1 894 107 107 GLU H H 8.404 0.029 1 895 107 107 GLU HA H 4.182 0.028 1 896 107 107 GLU HB2 H 1.884 0.020 1 897 107 107 GLU HB3 H 1.884 0.020 1 898 107 107 GLU CA C 56.576 0.067 1 899 107 107 GLU CB C 29.936 0.298 1 900 107 107 GLU CG C 36.191 0.030 1 901 107 107 GLU N N 122.706 0.030 1 902 108 108 GLU H H 7.341 0.036 1 903 108 108 GLU HA H 4.161 0.026 1 904 108 108 GLU HB2 H 1.830 0.014 1 905 108 108 GLU HB3 H 1.830 0.014 1 906 108 108 GLU HG2 H 2.138 0.036 1 907 108 108 GLU HG3 H 2.138 0.036 1 908 108 108 GLU CA C 56.649 0.300 1 909 108 108 GLU CB C 29.676 0.396 1 910 108 108 GLU CG C 35.882 0.306 1 911 108 108 GLU N N 122.034 0.048 1 912 109 109 ILE H H 8.058 0.042 1 913 109 109 ILE HA H 4.047 0.028 1 914 109 109 ILE HB H 1.787 0.015 1 915 109 109 ILE HG12 H 1.124 0.011 2 916 109 109 ILE HG13 H 1.417 0.006 2 917 109 109 ILE HG2 H 0.833 0.009 1 918 109 109 ILE HD1 H 0.790 0.010 1 919 109 109 ILE CA C 61.565 0.340 1 920 109 109 ILE CB C 38.104 0.288 1 921 109 109 ILE CG1 C 27.349 0.158 1 922 109 109 ILE CG2 C 17.203 0.256 1 923 109 109 ILE CD1 C 12.459 0.266 1 924 109 109 ILE N N 122.151 0.055 1 925 110 110 LEU H H 8.194 0.011 1 926 110 110 LEU HA H 4.276 0.008 1 927 110 110 LEU HB2 H 1.621 0.024 1 928 110 110 LEU HB3 H 1.621 0.024 1 929 110 110 LEU CA C 55.151 0.311 1 930 110 110 LEU CB C 41.861 0.074 1 931 110 110 LEU CG C 27.501 0.030 1 932 110 110 LEU CD1 C 23.185 0.014 2 933 110 110 LEU CD2 C 24.889 0.030 2 934 110 110 LEU N N 122.427 0.211 1 935 111 111 LYS HA H 4.247 0.026 1 936 111 111 LYS HB2 H 1.705 0.032 2 937 111 111 LYS HB3 H 1.876 0.032 2 938 111 111 LYS HG2 H 1.373 0.019 1 939 111 111 LYS HG3 H 1.373 0.019 1 940 111 111 LYS HD2 H 1.538 0.013 1 941 111 111 LYS HD3 H 1.538 0.013 1 942 111 111 LYS HE2 H 2.931 0.036 1 943 111 111 LYS HE3 H 2.931 0.036 1 944 111 111 LYS CA C 56.137 0.254 1 945 111 111 LYS CB C 32.569 0.221 1 946 111 111 LYS CG C 24.493 0.236 1 947 111 111 LYS CD C 28.053 0.257 1 948 111 111 LYS CE C 41.654 0.108 1 949 112 112 SER H H 8.204 0.006 1 950 112 112 SER HA H 4.175 0.030 1 951 112 112 SER HB2 H 3.861 0.024 1 952 112 112 SER HB3 H 3.861 0.024 1 953 112 112 SER CA C 58.311 0.071 1 954 112 112 SER CB C 63.441 0.364 1 955 112 112 SER N N 116.453 0.145 1 956 113 113 ASN H H 7.944 0.005 1 957 113 113 ASN HA H 4.644 0.048 1 958 113 113 ASN HB2 H 2.738 0.016 1 959 113 113 ASN HB3 H 2.738 0.016 1 960 113 113 ASN CA C 53.645 0.410 1 961 113 113 ASN CB C 38.646 0.305 1 962 113 113 ASN N N 119.747 0.037 1 963 114 114 SER H H 7.962 0.006 1 964 114 114 SER HA H 4.336 0.040 1 965 114 114 SER HB2 H 3.808 0.007 1 966 114 114 SER HB3 H 3.808 0.007 1 967 114 114 SER CA C 58.711 0.273 1 968 114 114 SER CB C 63.308 0.343 1 969 114 114 SER N N 115.433 0.049 1 970 115 115 GLN H H 8.207 0.011 1 971 115 115 GLN HA H 4.274 0.010 1 972 115 115 GLN HB2 H 1.914 0.061 1 973 115 115 GLN HB3 H 1.914 0.061 1 974 115 115 GLN CA C 56.193 0.030 1 975 115 115 GLN CB C 28.807 0.030 1 976 115 115 GLN N N 121.682 0.051 1 977 116 116 THR H H 8.062 0.011 1 978 116 116 THR HA H 4.225 0.013 1 979 116 116 THR HB H 4.154 0.012 1 980 116 116 THR HG2 H 1.132 0.005 1 981 116 116 THR CA C 62.109 0.240 1 982 116 116 THR CB C 69.336 0.286 1 983 116 116 THR CG2 C 20.813 0.383 1 984 116 116 THR N N 114.715 0.034 1 985 117 117 ASP H H 8.065 0.012 1 986 117 117 ASP HA H 4.568 0.031 1 987 117 117 ASP HB2 H 2.598 0.029 2 988 117 117 ASP HB3 H 2.679 0.016 2 989 117 117 ASP CA C 54.204 0.278 1 990 117 117 ASP CB C 40.665 0.280 1 991 117 117 ASP N N 122.602 0.053 1 992 118 118 LEU H H 8.085 0.011 1 993 118 118 LEU HA H 4.155 0.013 1 994 118 118 LEU HB2 H 1.474 0.040 2 995 118 118 LEU HB3 H 1.417 0.003 2 996 118 118 LEU HG H 1.542 0.023 1 997 118 118 LEU HD1 H 0.767 0.006 2 998 118 118 LEU HD2 H 0.825 0.027 2 999 118 118 LEU CA C 55.423 0.240 1 1000 118 118 LEU CB C 41.873 0.132 1 1001 118 118 LEU CG C 26.556 0.078 1 1002 118 118 LEU CD1 C 24.670 0.288 2 1003 118 118 LEU CD2 C 23.148 0.236 2 1004 118 118 LEU N N 122.140 0.046 1 1005 119 119 GLU H H 8.143 0.004 1 1006 119 119 GLU HA H 4.068 0.024 1 1007 119 119 GLU HB2 H 1.807 0.025 2 1008 119 119 GLU HB3 H 1.718 0.036 2 1009 119 119 GLU HG2 H 2.061 0.012 2 1010 119 119 GLU HG3 H 2.170 0.022 2 1011 119 119 GLU CA C 56.565 0.286 1 1012 119 119 GLU CB C 29.572 0.084 1 1013 119 119 GLU CG C 35.847 0.268 1 1014 119 119 GLU N N 119.672 0.044 1 1015 120 120 HIS H H 8.107 0.005 1 1016 120 120 HIS CA C 55.883 0.030 1 1017 120 120 HIS CB C 29.270 0.030 1 1018 120 120 HIS N N 118.301 0.079 1 1019 121 121 HIS HA H 4.008 0.019 1 1020 121 121 HIS HB2 H 1.952 0.003 1 1021 121 121 HIS HB3 H 1.952 0.003 1 1022 121 121 HIS CA C 55.166 0.030 1 1023 121 121 HIS CB C 28.759 0.030 1 1024 122 122 HIS H H 8.489 0.006 1 1025 122 122 HIS HA H 4.218 0.023 1 1026 122 122 HIS HB2 H 1.889 0.003 1 1027 122 122 HIS HB3 H 1.889 0.003 1 1028 122 122 HIS CA C 56.081 0.094 1 1029 122 122 HIS CB C 29.371 0.185 1 1030 122 122 HIS N N 122.407 0.046 1 1031 123 123 HIS H H 8.596 0.009 1 1032 123 123 HIS HA H 4.387 0.003 1 1033 123 123 HIS HB2 H 3.065 0.013 1 1034 123 123 HIS HB3 H 3.065 0.013 1 1035 123 123 HIS CA C 56.310 0.031 1 1036 123 123 HIS CB C 29.502 0.317 1 1037 123 123 HIS N N 122.868 0.085 1 1038 124 124 HIS H H 8.255 0.023 1 1039 124 124 HIS HA H 4.557 0.023 1 1040 124 124 HIS HB2 H 3.094 0.032 2 1041 124 124 HIS HB3 H 2.985 0.028 2 1042 124 124 HIS CA C 55.385 0.316 1 1043 124 124 HIS CB C 29.358 0.314 1 1044 124 124 HIS N N 123.734 0.049 1 1045 125 125 HIS H H 8.192 0.020 1 1046 125 125 HIS HA H 4.381 0.006 1 1047 125 125 HIS HB2 H 3.177 0.008 2 1048 125 125 HIS HB3 H 3.151 0.006 2 1049 125 125 HIS CA C 56.884 0.332 1 1050 125 125 HIS CB C 29.654 0.349 1 1051 125 125 HIS N N 125.378 0.035 1 stop_ save_