data_19927 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR study of non-structural proteins - 1H, 13C, 15N resonance assignment of macro domain from Mayaro virus (MAYV) ; _BMRB_accession_number 19927 _BMRB_flat_file_name bmr19927.str _Entry_type original _Submission_date 2014-04-21 _Accession_date 2014-04-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Mayaro macro domain consists of 159 amino acids, Uniprot: |Q8QZ73|1335-1493' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Melekis Stathis . . 2 Chasapis Christos T. . 3 Tsika Aikaterini C. . 4 Bentrop Detlef . . 5 Spyroulias Georgios A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 731 "13C chemical shifts" 441 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-03 original BMRB . stop_ _Original_release_date 2014-04-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR study of non-structural proteins - part I: 1H, 13C, 15N backbone and side-chain resonance assignment of macro domain from Mayaro virus (MAYV) ; _Citation_status published _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 Melekis Stahis . . 2 Tsika Aikaterini C. . 3 Lichiere Julie . . 4 Chasapis Christos T. . 5 Margiolaki Irene . . 6 Papageorgiou Nicolas A. . 7 Coutard Bruno . . 8 Bentrop Detlef . . 9 Spyroulias Georgios A. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 9 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 191 _Page_last 195 _Year 2015 _Details . loop_ _Keyword 'Mayaro macro domain' 'Viral macro domains' 'alpha viruses' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mayaro macro domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Mayaro macro domain' $Mayaro_macro_domain stop_ _System_molecular_weight 17163.4 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function apoptosis 'binding pocket for NAD+ metabolites: ADP-ribose, PAR, and negatively charged molecules such as RNA' 'chromatin repair' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Mayaro_macro_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mayaro_macro_domain _Molecular_mass 17163.4 _Mol_thiol_state 'all free' loop_ _Biological_function apoptosis 'binding pocket for NAD+ metabolites: ADP-ribose, PAR, and negatively charged molecules such as RNA' 'chromatin repair' stop_ _Details 'Residue 5 is THR instead of ALA which is placed in wt sequence according to Uniprot enttry id: Q8QZ73' ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; APAYTVKRADIATAIEDAVV NAANHRGQVGDGVCRAVARK WPQAFRNAATPVGTAKTVKC DETYIIHAVGPNFNNTSEAE GDRDLAAAYRAVAAEINRLS ISSVAIPLLSTGIFSAGKDR VHQSLSHLLAAMDTTEARVT IYCRDKTWEQKIKTVLQNR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ALA 2 2 PRO 3 3 ALA 4 4 TYR 5 5 THR 6 6 VAL 7 7 LYS 8 8 ARG 9 9 ALA 10 10 ASP 11 11 ILE 12 12 ALA 13 13 THR 14 14 ALA 15 15 ILE 16 16 GLU 17 17 ASP 18 18 ALA 19 19 VAL 20 20 VAL 21 21 ASN 22 22 ALA 23 23 ALA 24 24 ASN 25 25 HIS 26 26 ARG 27 27 GLY 28 28 GLN 29 29 VAL 30 30 GLY 31 31 ASP 32 32 GLY 33 33 VAL 34 34 CYS 35 35 ARG 36 36 ALA 37 37 VAL 38 38 ALA 39 39 ARG 40 40 LYS 41 41 TRP 42 42 PRO 43 43 GLN 44 44 ALA 45 45 PHE 46 46 ARG 47 47 ASN 48 48 ALA 49 49 ALA 50 50 THR 51 51 PRO 52 52 VAL 53 53 GLY 54 54 THR 55 55 ALA 56 56 LYS 57 57 THR 58 58 VAL 59 59 LYS 60 60 CYS 61 61 ASP 62 62 GLU 63 63 THR 64 64 TYR 65 65 ILE 66 66 ILE 67 67 HIS 68 68 ALA 69 69 VAL 70 70 GLY 71 71 PRO 72 72 ASN 73 73 PHE 74 74 ASN 75 75 ASN 76 76 THR 77 77 SER 78 78 GLU 79 79 ALA 80 80 GLU 81 81 GLY 82 82 ASP 83 83 ARG 84 84 ASP 85 85 LEU 86 86 ALA 87 87 ALA 88 88 ALA 89 89 TYR 90 90 ARG 91 91 ALA 92 92 VAL 93 93 ALA 94 94 ALA 95 95 GLU 96 96 ILE 97 97 ASN 98 98 ARG 99 99 LEU 100 100 SER 101 101 ILE 102 102 SER 103 103 SER 104 104 VAL 105 105 ALA 106 106 ILE 107 107 PRO 108 108 LEU 109 109 LEU 110 110 SER 111 111 THR 112 112 GLY 113 113 ILE 114 114 PHE 115 115 SER 116 116 ALA 117 117 GLY 118 118 LYS 119 119 ASP 120 120 ARG 121 121 VAL 122 122 HIS 123 123 GLN 124 124 SER 125 125 LEU 126 126 SER 127 127 HIS 128 128 LEU 129 129 LEU 130 130 ALA 131 131 ALA 132 132 MET 133 133 ASP 134 134 THR 135 135 THR 136 136 GLU 137 137 ALA 138 138 ARG 139 139 VAL 140 140 THR 141 141 ILE 142 142 TYR 143 143 CYS 144 144 ARG 145 145 ASP 146 146 LYS 147 147 THR 148 148 TRP 149 149 GLU 150 150 GLN 151 151 LYS 152 152 ILE 153 153 LYS 154 154 THR 155 155 VAL 156 156 LEU 157 157 GLN 158 158 ASN 159 159 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP Q8QZ73 'Mayaro macro domain' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Details $Mayaro_macro_domain 'Mayaro virus' 374990 Viruses . Alphavirus Mayaro 'Mayaro virus (strain Brazil)' 'strain TRVL 4675' 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 $Mayaro_macro_domain 'recombinant technology' . Escherichia coli 'Rosetta 2 (DE3) (pLysS) and DL39' 'pDesT 14' 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 $Mayaro_macro_domain 0.4 mM '[U-99% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mayaro_macro_domain 0.4 mM '[U-98% 13C; U-98% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_3-5 _Saveframe_category sample _Sample_type solution _Details ; Specific labeling with [U-15N]Leu-Val-Ala and reverse labeling [U-14N]Arg/Cys-Asp ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mayaro_macro_domain 0.4 mM '[U-99% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mayaro_macro_domain 0.4 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance-III _Field_strength 700 _Details 'equipped with Cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3-5 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_6 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_6 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' 30 . mM pH 7.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_3-5 $sample_2 $sample_6 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Mayaro macro domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.278 0.020 1 2 2 2 PRO HB2 H 1.852 0.020 2 3 2 2 PRO HB3 H 0.947 0.020 2 4 2 2 PRO HG2 H 2.136 0.020 2 5 2 2 PRO HG3 H 1.510 0.020 2 6 2 2 PRO HD2 H 4.265 0.020 2 7 2 2 PRO HD3 H 3.898 0.020 2 8 2 2 PRO CA C 62.560 0.3 1 9 2 2 PRO CB C 32.775 0.3 1 10 2 2 PRO CG C 26.716 0.3 1 11 2 2 PRO CD C 49.819 0.3 1 12 3 3 ALA H H 7.458 0.020 1 13 3 3 ALA HA H 4.562 0.020 1 14 3 3 ALA HB H 1.184 0.020 1 15 3 3 ALA CA C 50.436 0.3 1 16 3 3 ALA CB C 20.857 0.3 1 17 3 3 ALA N N 122.382 0.3 1 18 4 4 TYR H H 8.667 0.020 1 19 4 4 TYR HA H 5.561 0.020 1 20 4 4 TYR HB2 H 2.658 0.020 1 21 4 4 TYR HB3 H 2.658 0.020 1 22 4 4 TYR CA C 57.588 0.3 1 23 4 4 TYR CB C 42.709 0.3 1 24 4 4 TYR N N 122.144 0.3 1 25 5 5 THR H H 8.886 0.020 1 26 5 5 THR HA H 4.468 0.020 1 27 5 5 THR HB H 4.040 0.020 1 28 5 5 THR CA C 60.435 0.3 1 29 5 5 THR CB C 72.148 0.3 1 30 5 5 THR N N 116.136 0.3 1 31 6 6 VAL H H 8.451 0.020 1 32 6 6 VAL HA H 5.184 0.020 1 33 6 6 VAL HB H 1.755 0.020 1 34 6 6 VAL HG1 H 0.850 0.020 1 35 6 6 VAL HG2 H 0.803 0.020 1 36 6 6 VAL CA C 59.100 0.3 1 37 6 6 VAL CB C 34.349 0.3 1 38 6 6 VAL CG1 C 20.566 0.3 1 39 6 6 VAL CG2 C 23.035 0.3 1 40 6 6 VAL N N 121.038 0.3 1 41 7 7 LYS H H 8.989 0.020 1 42 7 7 LYS HA H 4.280 0.020 1 43 7 7 LYS HB2 H 0.770 0.020 2 44 7 7 LYS HB3 H 0.659 0.020 2 45 7 7 LYS HG2 H 0.848 0.020 1 46 7 7 LYS HG3 H 0.848 0.020 1 47 7 7 LYS HD2 H 1.326 0.020 1 48 7 7 LYS HD3 H 1.326 0.020 1 49 7 7 LYS HE2 H 2.866 0.020 2 50 7 7 LYS HE3 H 2.706 0.020 2 51 7 7 LYS CA C 54.548 0.3 1 52 7 7 LYS CB C 35.973 0.3 1 53 7 7 LYS CG C 24.748 0.3 1 54 7 7 LYS CD C 28.973 0.3 1 55 7 7 LYS CE C 41.695 0.3 1 56 7 7 LYS N N 129.646 0.3 1 57 8 8 ARG H H 8.510 0.020 1 58 8 8 ARG HA H 5.135 0.020 1 59 8 8 ARG HB2 H 1.850 0.020 2 60 8 8 ARG HB3 H 0.994 0.020 2 61 8 8 ARG HG2 H 1.276 0.020 2 62 8 8 ARG HG3 H 1.089 0.020 2 63 8 8 ARG HD2 H 2.993 0.020 2 64 8 8 ARG HD3 H 2.833 0.020 2 65 8 8 ARG CA C 53.312 0.3 1 66 8 8 ARG CB C 29.328 0.3 1 67 8 8 ARG CG C 27.222 0.3 1 68 8 8 ARG CD C 42.956 0.3 1 69 8 8 ARG N N 128.377 0.3 1 70 9 9 ALA H H 8.196 0.020 1 71 9 9 ALA HA H 4.419 0.020 1 72 9 9 ALA HB H 1.279 0.020 1 73 9 9 ALA CA C 50.887 0.3 1 74 9 9 ALA CB C 21.890 0.3 1 75 9 9 ALA N N 127.353 0.3 1 76 10 10 ASP H H 8.619 0.020 1 77 10 10 ASP HA H 4.707 0.020 1 78 10 10 ASP HB2 H 2.704 0.020 2 79 10 10 ASP HB3 H 2.564 0.020 2 80 10 10 ASP CA C 53.584 0.3 1 81 10 10 ASP CB C 41.765 0.3 1 82 10 10 ASP N N 119.635 0.3 1 83 11 11 ILE H H 8.627 0.020 1 84 11 11 ILE HB H 1.950 0.020 1 85 11 11 ILE HG12 H 1.404 0.020 2 86 11 11 ILE HG13 H 1.265 0.020 2 87 11 11 ILE HG2 H 0.950 0.020 1 88 11 11 ILE HD1 H 0.803 0.020 1 89 11 11 ILE CA C 64.192 0.3 1 90 11 11 ILE CB C 37.745 0.3 1 91 11 11 ILE CG1 C 27.745 0.3 1 92 11 11 ILE CG2 C 17.736 0.3 1 93 11 11 ILE CD1 C 13.640 0.3 1 94 11 11 ILE N N 134.024 0.3 1 95 12 12 ALA H H 8.270 0.020 1 96 12 12 ALA HA H 4.192 0.020 1 97 12 12 ALA HB H 1.184 0.020 1 98 12 12 ALA CA C 53.548 0.3 1 99 12 12 ALA CB C 18.225 0.3 1 100 12 12 ALA N N 123.017 0.3 1 101 13 13 THR H H 7.984 0.020 1 102 13 13 THR HA H 4.279 0.020 1 103 13 13 THR HB H 4.420 0.020 1 104 13 13 THR HG2 H 1.139 0.020 1 105 13 13 THR CA C 60.960 0.3 1 106 13 13 THR CB C 69.726 0.3 1 107 13 13 THR CG2 C 21.367 0.3 1 108 13 13 THR N N 107.766 0.3 1 109 14 14 ALA H H 7.656 0.020 1 110 14 14 ALA HA H 4.373 0.020 1 111 14 14 ALA HB H 1.375 0.020 1 112 14 14 ALA CA C 53.875 0.3 1 113 14 14 ALA CB C 19.919 0.3 1 114 14 14 ALA N N 126.267 0.3 1 115 15 15 ILE H H 6.891 0.020 1 116 15 15 ILE HA H 4.405 0.020 1 117 15 15 ILE HB H 2.086 0.020 1 118 15 15 ILE HG12 H 1.091 0.020 1 119 15 15 ILE HG13 H 1.091 0.020 1 120 15 15 ILE HG2 H 0.900 0.020 1 121 15 15 ILE HD1 H 0.756 0.020 1 122 15 15 ILE CA C 59.931 0.3 1 123 15 15 ILE CB C 38.542 0.3 1 124 15 15 ILE CG1 C 25.745 0.3 1 125 15 15 ILE CG2 C 18.287 0.3 1 126 15 15 ILE CD1 C 13.936 0.3 1 127 15 15 ILE N N 113.289 0.3 1 128 16 16 GLU H H 8.339 0.020 1 129 16 16 GLU HA H 3.940 0.020 1 130 16 16 GLU HB2 H 2.044 0.020 1 131 16 16 GLU HB3 H 2.044 0.020 1 132 16 16 GLU HG2 H 2.516 0.020 2 133 16 16 GLU HG3 H 2.231 0.020 2 134 16 16 GLU CA C 58.602 0.3 1 135 16 16 GLU CB C 29.714 0.3 1 136 16 16 GLU CG C 38.901 0.3 1 137 16 16 GLU N N 124.547 0.3 1 138 17 17 ASP H H 7.848 0.020 1 139 17 17 ASP HA H 4.325 0.020 1 140 17 17 ASP CA C 56.879 0.3 1 141 17 17 ASP CB C 41.488 0.3 1 142 17 17 ASP N N 119.442 0.3 1 143 18 18 ALA H H 7.635 0.020 1 144 18 18 ALA HA H 5.562 0.020 1 145 18 18 ALA HB H 1.233 0.020 1 146 18 18 ALA C C 174.636 0.3 1 147 18 18 ALA CA C 48.792 0.3 1 148 18 18 ALA CB C 23.812 0.3 1 149 18 18 ALA N N 117.708 0.3 1 150 19 19 VAL H H 8.656 0.020 1 151 19 19 VAL HA H 4.327 0.020 1 152 19 19 VAL HB H 1.199 0.020 1 153 19 19 VAL HG1 H 0.424 0.020 1 154 19 19 VAL HG2 H 0.424 0.020 1 155 19 19 VAL CA C 60.642 0.3 1 156 19 19 VAL CB C 34.865 0.3 1 157 19 19 VAL CG1 C 20.052 0.3 1 158 19 19 VAL CG2 C 20.624 0.3 1 159 19 19 VAL N N 122.554 0.3 1 160 20 20 VAL H H 8.681 0.020 1 161 20 20 VAL HA H 4.611 0.020 1 162 20 20 VAL HB H 1.193 0.020 1 163 20 20 VAL CA C 60.221 0.3 1 164 20 20 VAL CB C 31.527 0.3 1 165 20 20 VAL N N 128.107 0.3 1 166 21 21 ASN H H 8.652 0.020 1 167 21 21 ASN HA H 4.600 0.020 1 168 21 21 ASN HB2 H 2.424 0.020 2 169 21 21 ASN HB3 H 1.950 0.020 2 170 21 21 ASN CA C 50.701 0.3 1 171 21 21 ASN CB C 41.046 0.3 1 172 21 21 ASN N N 121.770 0.3 1 173 22 22 ALA HA H 4.514 0.020 1 174 22 22 ALA HB H 1.327 0.020 1 175 22 22 ALA CA C 50.648 0.3 1 176 22 22 ALA CB C 16.816 0.3 1 177 23 23 ALA H H 7.646 0.020 1 178 23 23 ALA HA H 4.505 0.020 1 179 23 23 ALA HB H 1.423 0.020 1 180 23 23 ALA CA C 51.413 0.3 1 181 23 23 ALA CB C 22.505 0.3 1 182 23 23 ALA N N 128.116 0.3 1 183 24 24 ASN H H 8.955 0.020 1 184 24 24 ASN HA H 4.492 0.020 1 185 24 24 ASN CA C 51.163 0.3 1 186 24 24 ASN N N 113.902 0.3 1 187 25 25 HIS H H 9.315 0.020 1 188 25 25 HIS HA H 5.039 0.020 1 189 25 25 HIS HB2 H 3.327 0.020 2 190 25 25 HIS HB3 H 2.892 0.020 2 191 25 25 HIS CA C 57.973 0.3 1 192 25 25 HIS CB C 30.130 0.3 1 193 25 25 HIS N N 119.658 0.3 1 194 26 26 ARG H H 7.108 0.020 1 195 26 26 ARG HA H 4.085 0.020 1 196 26 26 ARG HB2 H 1.662 0.020 1 197 26 26 ARG HB3 H 1.662 0.020 1 198 26 26 ARG HG2 H 0.945 0.020 2 199 26 26 ARG HG3 H 0.708 0.020 2 200 26 26 ARG HD2 H 2.942 0.020 1 201 26 26 ARG HD3 H 2.942 0.020 1 202 26 26 ARG CA C 55.025 0.3 1 203 26 26 ARG CB C 29.792 0.3 1 204 26 26 ARG CG C 26.772 0.3 1 205 26 26 ARG CD C 42.489 0.3 1 206 26 26 ARG N N 117.607 0.3 1 207 27 27 GLY H H 7.721 0.020 1 208 27 27 GLY HA2 H 3.801 0.020 2 209 27 27 GLY HA3 H 3.468 0.020 2 210 27 27 GLY CA C 45.620 0.3 1 211 27 27 GLY N N 109.402 0.3 1 212 28 28 GLN H H 7.683 0.020 1 213 28 28 GLN HA H 4.467 0.020 1 214 28 28 GLN HB2 H 1.945 0.020 2 215 28 28 GLN HB3 H 1.670 0.020 2 216 28 28 GLN HG2 H 2.184 0.020 2 217 28 28 GLN HG3 H 2.088 0.020 2 218 28 28 GLN CA C 53.192 0.3 1 219 28 28 GLN CB C 30.482 0.3 1 220 28 28 GLN CG C 33.585 0.3 1 221 28 28 GLN N N 116.640 0.3 1 222 29 29 VAL H H 8.611 0.020 1 223 29 29 VAL HA H 3.516 0.020 1 224 29 29 VAL HB H 1.661 0.020 1 225 29 29 VAL HG1 H 0.569 0.020 1 226 29 29 VAL HG2 H 0.531 0.020 1 227 29 29 VAL CA C 64.023 0.3 1 228 29 29 VAL CB C 30.557 0.3 1 229 29 29 VAL CG1 C 21.140 0.3 1 230 29 29 VAL CG2 C 20.214 0.3 1 231 29 29 VAL N N 124.011 0.3 1 232 30 30 GLY HA2 H 3.692 0.020 2 233 30 30 GLY HA3 H 4.197 0.020 2 234 30 30 GLY CA C 45.358 0.3 1 235 32 32 GLY H H 8.377 0.020 1 236 32 32 GLY HA2 H 3.849 0.020 1 237 32 32 GLY HA3 H 3.849 0.020 1 238 32 32 GLY CA C 45.119 0.3 1 239 32 32 GLY N N 109.725 0.3 1 240 33 33 VAL H H 7.876 0.020 1 241 33 33 VAL HA H 3.993 0.020 1 242 33 33 VAL HB H 1.943 0.020 1 243 33 33 VAL HG1 H 0.819 0.020 1 244 33 33 VAL CA C 62.217 0.3 1 245 33 33 VAL CB C 32.608 0.3 1 246 33 33 VAL CG1 C 20.704 0.3 1 247 33 33 VAL CG2 C 20.359 0.3 1 248 33 33 VAL N N 120.450 0.3 1 249 35 35 ARG HA H 3.853 0.020 1 250 35 35 ARG HB2 H 1.989 0.020 2 251 35 35 ARG HB3 H 1.768 0.020 2 252 35 35 ARG HG2 H 1.458 0.020 1 253 35 35 ARG HG3 H 1.458 0.020 1 254 35 35 ARG HD2 H 3.228 0.020 1 255 35 35 ARG HD3 H 3.228 0.020 1 256 35 35 ARG CA C 60.459 0.3 1 257 35 35 ARG CB C 29.746 0.3 1 258 35 35 ARG CG C 28.540 0.3 1 259 35 35 ARG CD C 43.247 0.3 1 260 36 36 ALA HA H 4.039 0.020 1 261 36 36 ALA HB H 1.565 0.020 1 262 36 36 ALA CA C 54.706 0.3 1 263 36 36 ALA CB C 18.691 0.3 1 264 37 37 VAL H H 8.345 0.020 1 265 37 37 VAL HA H 3.846 0.020 1 266 37 37 VAL HB H 2.326 0.020 1 267 37 37 VAL HG1 H 0.995 0.020 1 268 37 37 VAL HG2 H 0.976 0.020 1 269 37 37 VAL CA C 66.271 0.3 1 270 37 37 VAL CB C 31.642 0.3 1 271 37 37 VAL CG1 C 21.052 0.3 1 272 37 37 VAL CG2 C 23.342 0.3 1 273 37 37 VAL N N 120.044 0.3 1 274 38 38 ALA HA H 3.895 0.020 1 275 38 38 ALA HB H 0.854 0.020 1 276 38 38 ALA CA C 54.371 0.3 1 277 38 38 ALA CB C 18.996 0.3 1 278 39 39 ARG H H 7.433 0.020 1 279 39 39 ARG HA H 3.862 0.020 1 280 39 39 ARG HB2 H 1.761 0.020 1 281 39 39 ARG HB3 H 1.761 0.020 1 282 39 39 ARG HG2 H 1.599 0.020 2 283 39 39 ARG HG3 H 1.423 0.020 2 284 39 39 ARG HD2 H 3.086 0.020 1 285 39 39 ARG HD3 H 3.086 0.020 1 286 39 39 ARG CA C 57.982 0.3 1 287 39 39 ARG CB C 29.954 0.3 1 288 39 39 ARG CG C 27.285 0.3 1 289 39 39 ARG CD C 43.152 0.3 1 290 39 39 ARG N N 116.437 0.3 1 291 40 40 LYS H H 7.026 0.020 1 292 40 40 LYS HA H 3.891 0.020 1 293 40 40 LYS HB2 H 1.135 0.020 2 294 40 40 LYS HB3 H 1.046 0.020 2 295 40 40 LYS HG2 H -0.148 0.020 2 296 40 40 LYS HG3 H -0.460 0.020 2 297 40 40 LYS HD2 H 0.850 0.020 1 298 40 40 LYS HD3 H 0.850 0.020 1 299 40 40 LYS HE2 H 2.474 0.020 2 300 40 40 LYS HE3 H 2.348 0.020 2 301 40 40 LYS CA C 56.529 0.3 1 302 40 40 LYS CB C 32.884 0.3 1 303 40 40 LYS CG C 22.257 0.3 1 304 40 40 LYS CD C 27.433 0.3 1 305 40 40 LYS CE C 41.994 0.3 1 306 40 40 LYS N N 119.800 0.3 1 307 41 41 TRP H H 8.602 0.020 1 308 41 41 TRP HA H 5.129 0.020 1 309 41 41 TRP HB2 H 3.136 0.020 1 310 41 41 TRP HB3 H 3.136 0.020 1 311 41 41 TRP HE1 H 10.013 0.020 1 312 41 41 TRP CA C 60.568 0.3 1 313 41 41 TRP CB C 28.387 0.3 1 314 41 41 TRP N N 117.840 0.3 1 315 42 42 PRO HA H 4.514 0.020 1 316 42 42 PRO HB2 H 2.379 0.020 2 317 42 42 PRO HB3 H 1.900 0.020 2 318 42 42 PRO HG2 H 1.991 0.020 2 319 42 42 PRO HG3 H 1.946 0.020 2 320 42 42 PRO HD2 H 3.611 0.020 1 321 42 42 PRO HD3 H 3.611 0.020 1 322 42 42 PRO CA C 65.573 0.3 1 323 42 42 PRO CB C 31.049 0.3 1 324 42 42 PRO CG C 27.132 0.3 1 325 42 42 PRO CD C 49.766 0.3 1 326 43 43 GLN H H 9.304 0.020 1 327 43 43 GLN HA H 4.277 0.020 1 328 43 43 GLN HB2 H 2.187 0.020 2 329 43 43 GLN HB3 H 2.137 0.020 2 330 43 43 GLN HG2 H 2.423 0.020 2 331 43 43 GLN HG3 H 2.375 0.020 2 332 43 43 GLN CA C 57.113 0.3 1 333 43 43 GLN CB C 26.820 0.3 1 334 43 43 GLN CG C 33.645 0.3 1 335 43 43 GLN N N 117.655 0.3 1 336 44 44 ALA H H 8.367 0.020 1 337 44 44 ALA HA H 3.991 0.020 1 338 44 44 ALA HB H 1.327 0.020 1 339 44 44 ALA CA C 52.917 0.3 1 340 44 44 ALA CB C 18.362 0.3 1 341 44 44 ALA N N 122.097 0.3 1 342 45 45 PHE H H 7.611 0.020 1 343 45 45 PHE HA H 3.946 0.020 1 344 45 45 PHE HB2 H 2.337 0.020 2 345 45 45 PHE HB3 H 1.818 0.020 2 346 45 45 PHE CA C 57.944 0.3 1 347 45 45 PHE CB C 36.267 0.3 1 348 45 45 PHE N N 117.780 0.3 1 349 46 46 ARG H H 6.876 0.020 1 350 46 46 ARG HA H 4.183 0.020 1 351 46 46 ARG HB2 H 1.706 0.020 1 352 46 46 ARG HB3 H 1.706 0.020 1 353 46 46 ARG HG2 H 1.563 0.020 1 354 46 46 ARG HG3 H 1.563 0.020 1 355 46 46 ARG HD2 H 3.186 0.020 1 356 46 46 ARG HD3 H 3.186 0.020 1 357 46 46 ARG CA C 56.413 0.3 1 358 46 46 ARG CB C 30.175 0.3 1 359 46 46 ARG CG C 26.832 0.3 1 360 46 46 ARG CD C 43.097 0.3 1 361 46 46 ARG N N 122.225 0.3 1 362 47 47 ASN HA H 4.467 0.020 1 363 47 47 ASN HB2 H 2.849 0.020 2 364 47 47 ASN HB3 H 2.611 0.020 2 365 47 47 ASN CA C 53.299 0.3 1 366 47 47 ASN CB C 37.435 0.3 1 367 48 48 ALA H H 7.940 0.020 1 368 48 48 ALA HA H 3.804 0.020 1 369 48 48 ALA HB H 0.520 0.020 1 370 48 48 ALA CA C 52.139 0.3 1 371 48 48 ALA CB C 18.742 0.3 1 372 48 48 ALA N N 120.968 0.3 1 373 49 49 ALA H H 7.702 0.020 1 374 49 49 ALA HA H 3.375 0.020 1 375 49 49 ALA HB H 1.089 0.020 1 376 49 49 ALA CA C 54.084 0.3 1 377 49 49 ALA CB C 18.307 0.3 1 378 49 49 ALA N N 122.299 0.3 1 379 50 50 THR H H 7.224 0.020 1 380 50 50 THR HA H 4.700 0.020 1 381 50 50 THR HB H 3.753 0.020 1 382 50 50 THR HG2 H 0.850 0.020 1 383 50 50 THR CA C 59.454 0.3 1 384 50 50 THR CB C 70.545 0.3 1 385 50 50 THR CG2 C 19.323 0.3 1 386 50 50 THR N N 119.283 0.3 1 387 51 51 PRO HA H 4.372 0.020 1 388 51 51 PRO HB2 H 2.231 0.020 2 389 51 51 PRO HB3 H 1.661 0.020 2 390 51 51 PRO HG2 H 1.896 0.020 2 391 51 51 PRO HG3 H 1.690 0.020 2 392 51 51 PRO HD2 H 3.707 0.020 2 393 51 51 PRO HD3 H 3.497 0.020 2 394 51 51 PRO CA C 62.618 0.3 1 395 51 51 PRO CB C 32.733 0.3 1 396 51 51 PRO CG C 27.373 0.3 1 397 51 51 PRO CD C 51.908 0.3 1 398 52 52 VAL H H 8.316 0.020 1 399 52 52 VAL HA H 3.464 0.020 1 400 52 52 VAL HB H 1.661 0.020 1 401 52 52 VAL HG1 H 0.564 0.020 1 402 52 52 VAL HG2 H 0.803 0.020 1 403 52 52 VAL CA C 63.976 0.3 1 404 52 52 VAL CB C 30.949 0.3 1 405 52 52 VAL CG1 C 20.280 0.3 1 406 52 52 VAL CG2 C 21.649 0.3 1 407 52 52 VAL N N 121.012 0.3 1 408 53 53 GLY H H 9.234 0.020 1 409 53 53 GLY HA2 H 3.612 0.020 2 410 53 53 GLY HA3 H 4.108 0.020 2 411 53 53 GLY CA C 44.124 0.3 1 412 53 53 GLY N N 114.067 0.3 1 413 54 54 THR H H 7.437 0.020 1 414 54 54 THR HA H 4.468 0.020 1 415 54 54 THR HB H 4.181 0.020 1 416 54 54 THR HG2 H 0.899 0.020 1 417 54 54 THR CA C 59.590 0.3 1 418 54 54 THR CB C 72.123 0.3 1 419 54 54 THR CG2 C 20.909 0.3 1 420 54 54 THR N N 108.503 0.3 1 421 55 55 ALA H H 7.767 0.020 1 422 55 55 ALA HA H 5.707 0.020 1 423 55 55 ALA HB H 0.852 0.020 1 424 55 55 ALA CA C 49.580 0.3 1 425 55 55 ALA CB C 22.441 0.3 1 426 55 55 ALA N N 116.919 0.3 1 427 56 56 LYS H H 8.562 0.020 1 428 56 56 LYS HA H 4.516 0.020 1 429 56 56 LYS HB2 H 1.609 0.020 2 430 56 56 LYS HB3 H 1.518 0.020 2 431 56 56 LYS HG2 H 1.233 0.020 2 432 56 56 LYS HG3 H 1.178 0.020 2 433 56 56 LYS HD2 H 1.512 0.020 2 434 56 56 LYS HD3 H 1.439 0.020 2 435 56 56 LYS HE2 H 2.904 0.020 2 436 56 56 LYS HE3 H 2.704 0.020 2 437 56 56 LYS CA C 54.972 0.3 1 438 56 56 LYS CB C 36.005 0.3 1 439 56 56 LYS CG C 24.837 0.3 1 440 56 56 LYS CD C 29.017 0.3 1 441 56 56 LYS CE C 42.136 0.3 1 442 56 56 LYS N N 122.068 0.3 1 443 57 57 THR H H 8.727 0.020 1 444 57 57 THR HA H 4.943 0.020 1 445 57 57 THR HB H 3.614 0.020 1 446 57 57 THR HG2 H 0.851 0.020 1 447 57 57 THR CA C 62.926 0.3 1 448 57 57 THR CB C 67.622 0.3 1 449 57 57 THR CG2 C 23.840 0.3 1 450 57 57 THR N N 127.206 0.3 1 451 58 58 VAL H H 9.508 0.020 1 452 58 58 VAL HA H 4.231 0.020 1 453 58 58 VAL HB H 1.901 0.020 1 454 58 58 VAL HG1 H 0.852 0.020 1 455 58 58 VAL HG2 H 0.899 0.020 1 456 58 58 VAL CA C 60.471 0.3 1 457 58 58 VAL CB C 34.840 0.3 1 458 58 58 VAL CG1 C 20.997 0.3 1 459 58 58 VAL CG2 C 19.818 0.3 1 460 58 58 VAL N N 128.657 0.3 1 461 59 59 LYS H H 8.791 0.020 1 462 59 59 LYS HA H 4.231 0.020 1 463 59 59 LYS HB2 H 1.707 0.020 1 464 59 59 LYS HB3 H 1.707 0.020 1 465 59 59 LYS HG2 H 0.899 0.020 2 466 59 59 LYS HG3 H 0.161 0.020 2 467 59 59 LYS HD2 H 1.232 0.020 2 468 59 59 LYS HD3 H 1.181 0.020 2 469 59 59 LYS HE2 H 2.563 0.020 2 470 59 59 LYS HE3 H 2.304 0.020 2 471 59 59 LYS CA C 56.147 0.3 1 472 59 59 LYS CB C 33.273 0.3 1 473 59 59 LYS CG C 24.852 0.3 1 474 59 59 LYS CD C 28.957 0.3 1 475 59 59 LYS CE C 41.789 0.3 1 476 59 59 LYS N N 129.449 0.3 1 477 60 60 CYS H H 8.806 0.020 1 478 60 60 CYS HA H 4.469 0.020 1 479 60 60 CYS HB2 H 2.849 0.020 2 480 60 60 CYS HB3 H 2.421 0.020 2 481 60 60 CYS CA C 57.673 0.3 1 482 60 60 CYS CB C 28.531 0.3 1 483 60 60 CYS N N 129.100 0.3 1 484 61 61 ASP H H 8.852 0.020 1 485 61 61 ASP HA H 3.992 0.020 1 486 61 61 ASP HB2 H 3.039 0.020 2 487 61 61 ASP HB3 H 2.850 0.020 2 488 61 61 ASP CA C 56.820 0.3 1 489 61 61 ASP CB C 38.986 0.3 1 490 61 61 ASP N N 124.845 0.3 1 491 62 62 GLU H H 8.455 0.020 1 492 62 62 GLU HA H 4.182 0.020 1 493 62 62 GLU HB2 H 2.232 0.020 2 494 62 62 GLU HB3 H 1.757 0.020 2 495 62 62 GLU HG2 H 2.213 0.020 2 496 62 62 GLU HG3 H 2.143 0.020 2 497 62 62 GLU CA C 56.394 0.3 1 498 62 62 GLU CB C 29.179 0.3 1 499 62 62 GLU CG C 35.892 0.3 1 500 62 62 GLU N N 121.184 0.3 1 501 63 63 THR H H 7.834 0.020 1 502 63 63 THR HA H 4.325 0.020 1 503 63 63 THR HB H 3.465 0.020 1 504 63 63 THR HG2 H 0.661 0.020 1 505 63 63 THR CA C 62.393 0.3 1 506 63 63 THR CB C 71.146 0.3 1 507 63 63 THR CG2 C 21.118 0.3 1 508 63 63 THR N N 119.318 0.3 1 509 64 64 TYR H H 8.223 0.020 1 510 64 64 TYR HA H 4.372 0.020 1 511 64 64 TYR HB2 H 2.373 0.020 2 512 64 64 TYR HB3 H 2.613 0.020 2 513 64 64 TYR CA C 58.211 0.3 1 514 64 64 TYR CB C 38.837 0.3 1 515 64 64 TYR N N 124.979 0.3 1 516 65 65 ILE H H 8.627 0.020 1 517 65 65 ILE HA H 4.608 0.020 1 518 65 65 ILE HB H 1.661 0.020 1 519 65 65 ILE HG12 H 0.854 0.020 2 520 65 65 ILE HG13 H 0.565 0.020 2 521 65 65 ILE HG2 H -0.578 0.020 1 522 65 65 ILE HD1 H -0.242 0.020 1 523 65 65 ILE CA C 57.241 0.3 1 524 65 65 ILE CB C 35.343 0.3 1 525 65 65 ILE CG1 C 27.610 0.3 1 526 65 65 ILE CD1 C 15.870 0.3 1 527 65 65 ILE N N 126.310 0.3 1 528 66 66 ILE H H 8.680 0.020 1 529 66 66 ILE HA H 4.181 0.020 1 530 66 66 ILE HB H 1.614 0.020 1 531 66 66 ILE HG12 H 1.135 0.020 1 532 66 66 ILE HG13 H 1.135 0.020 1 533 66 66 ILE HG2 H 0.567 0.020 1 534 66 66 ILE HD1 H 0.423 0.020 1 535 66 66 ILE CA C 59.424 0.3 1 536 66 66 ILE CB C 38.722 0.3 1 537 66 66 ILE CG1 C 25.083 0.3 1 538 66 66 ILE CG2 C 17.461 0.3 1 539 66 66 ILE CD1 C 13.413 0.3 1 540 66 66 ILE N N 127.422 0.3 1 541 67 67 HIS H H 9.104 0.020 1 542 67 67 HIS HA H 4.371 0.020 1 543 67 67 HIS HB2 H 3.181 0.020 2 544 67 67 HIS HB3 H 2.566 0.020 2 545 67 67 HIS CA C 56.191 0.3 1 546 67 67 HIS CB C 30.114 0.3 1 547 67 67 HIS N N 129.253 0.3 1 548 68 68 ALA H H 8.334 0.020 1 549 68 68 ALA HA H 4.896 0.020 1 550 68 68 ALA HB H 0.993 0.020 1 551 68 68 ALA CA C 49.993 0.3 1 552 68 68 ALA CB C 22.096 0.3 1 553 68 68 ALA N N 128.419 0.3 1 554 69 69 VAL H H 7.970 0.020 1 555 69 69 VAL HA H 4.184 0.020 1 556 69 69 VAL HB H 2.084 0.020 1 557 69 69 VAL HG1 H 0.472 0.020 1 558 69 69 VAL HG2 H 0.900 0.020 1 559 69 69 VAL CA C 60.853 0.3 1 560 69 69 VAL CB C 29.958 0.3 1 561 69 69 VAL CG1 C 21.878 0.3 1 562 69 69 VAL CG2 C 22.983 0.3 1 563 69 69 VAL N N 125.759 0.3 1 564 70 70 GLY H H 8.872 0.020 1 565 70 70 GLY HA2 H 4.036 0.020 2 566 70 70 GLY HA3 H 3.376 0.020 2 567 70 70 GLY CA C 42.636 0.3 1 568 70 70 GLY N N 114.451 0.3 1 569 71 71 PRO HA H 3.897 0.020 1 570 71 71 PRO HB2 H 1.802 0.020 2 571 71 71 PRO HB3 H 0.757 0.020 2 572 71 71 PRO HG2 H 2.421 0.020 2 573 71 71 PRO HG3 H 1.425 0.020 2 574 71 71 PRO HD2 H 3.611 0.020 2 575 71 71 PRO HD3 H 2.658 0.020 2 576 71 71 PRO CA C 61.735 0.3 1 577 71 71 PRO CB C 31.989 0.3 1 578 71 71 PRO CG C 26.000 0.3 1 579 71 71 PRO CD C 48.299 0.3 1 580 72 72 ASN H H 8.191 0.020 1 581 72 72 ASN HA H 4.421 0.020 1 582 72 72 ASN HB2 H 2.802 0.020 2 583 72 72 ASN HB3 H 1.327 0.020 2 584 72 72 ASN CA C 50.690 0.3 1 585 72 72 ASN CB C 37.137 0.3 1 586 72 72 ASN N N 117.117 0.3 1 587 73 73 PHE H H 9.327 0.020 1 588 73 73 PHE HA H 4.085 0.020 1 589 73 73 PHE HB2 H 3.090 0.020 2 590 73 73 PHE HB3 H 2.898 0.020 2 591 73 73 PHE CA C 61.744 0.3 1 592 73 73 PHE CB C 38.492 0.3 1 593 73 73 PHE N N 123.391 0.3 1 594 74 74 ASN H H 8.182 0.020 1 595 74 74 ASN HA H 4.419 0.020 1 596 74 74 ASN HB2 H 2.562 0.020 2 597 74 74 ASN HB3 H 2.518 0.020 2 598 74 74 ASN CA C 56.123 0.3 1 599 74 74 ASN CB C 39.034 0.3 1 600 74 74 ASN N N 116.223 0.3 1 601 75 75 ASN H H 7.901 0.020 1 602 75 75 ASN HA H 4.896 0.020 1 603 75 75 ASN HB2 H 2.802 0.020 2 604 75 75 ASN HB3 H 2.547 0.020 2 605 75 75 ASN CA C 52.143 0.3 1 606 75 75 ASN CB C 39.938 0.3 1 607 75 75 ASN N N 114.810 0.3 1 608 76 76 THR H H 7.059 0.020 1 609 76 76 THR HA H 4.562 0.020 1 610 76 76 THR HB H 3.611 0.020 1 611 76 76 THR HG2 H 0.758 0.020 1 612 76 76 THR CA C 59.830 0.3 1 613 76 76 THR CB C 70.033 0.3 1 614 76 76 THR N N 114.894 0.3 1 615 77 77 SER H H 8.135 0.020 1 616 77 77 SER HA H 4.609 0.020 1 617 77 77 SER HB2 H 4.326 0.020 1 618 77 77 SER HB3 H 4.326 0.020 1 619 77 77 SER CA C 57.107 0.3 1 620 77 77 SER CB C 64.975 0.3 1 621 77 77 SER N N 118.528 0.3 1 622 78 78 GLU H H 8.962 0.020 1 623 78 78 GLU HA H 4.237 0.020 1 624 78 78 GLU HB2 H 2.136 0.020 1 625 78 78 GLU HB3 H 2.136 0.020 1 626 78 78 GLU HG2 H 2.492 0.020 2 627 78 78 GLU HG3 H 2.422 0.020 2 628 78 78 GLU CA C 59.595 0.3 1 629 78 78 GLU CB C 28.336 0.3 1 630 78 78 GLU CG C 35.212 0.3 1 631 78 78 GLU N N 121.323 0.3 1 632 79 79 ALA H H 8.765 0.020 1 633 79 79 ALA HA H 4.182 0.020 1 634 79 79 ALA HB H 1.375 0.020 1 635 79 79 ALA CA C 55.227 0.3 1 636 79 79 ALA CB C 18.328 0.3 1 637 79 79 ALA N N 122.422 0.3 1 638 80 80 GLU H H 7.759 0.020 1 639 80 80 GLU HA H 3.752 0.020 1 640 80 80 GLU HB2 H 1.944 0.020 2 641 80 80 GLU HB3 H 1.877 0.020 2 642 80 80 GLU HG2 H 2.134 0.020 2 643 80 80 GLU HG3 H 2.042 0.020 2 644 80 80 GLU CA C 59.035 0.3 1 645 80 80 GLU CB C 29.561 0.3 1 646 80 80 GLU CG C 37.106 0.3 1 647 80 80 GLU N N 119.564 0.3 1 648 81 81 GLY H H 8.702 0.020 1 649 81 81 GLY HA2 H 3.328 0.020 2 650 81 81 GLY HA3 H 3.288 0.020 2 651 81 81 GLY CA C 46.993 0.3 1 652 81 81 GLY N N 106.784 0.3 1 653 82 82 ASP H H 8.377 0.020 1 654 82 82 ASP HA H 4.420 0.020 1 655 82 82 ASP HB2 H 2.662 0.020 2 656 82 82 ASP HB3 H 2.802 0.020 2 657 82 82 ASP CA C 59.424 0.3 1 658 82 82 ASP CB C 42.455 0.3 1 659 82 82 ASP N N 122.465 0.3 1 660 83 83 ARG H H 7.063 0.020 1 661 83 83 ARG HA H 3.945 0.020 1 662 83 83 ARG HB2 H 2.038 0.020 1 663 83 83 ARG HB3 H 2.038 0.020 1 664 83 83 ARG HG2 H 1.899 0.020 1 665 83 83 ARG HG3 H 1.899 0.020 1 666 83 83 ARG HD2 H 3.132 0.020 1 667 83 83 ARG HD3 H 3.132 0.020 1 668 83 83 ARG CA C 58.726 0.3 1 669 83 83 ARG CB C 29.468 0.3 1 670 83 83 ARG CG C 26.438 0.3 1 671 83 83 ARG CD C 43.088 0.3 1 672 83 83 ARG N N 117.099 0.3 1 673 84 84 ASP H H 8.189 0.020 1 674 84 84 ASP HA H 4.464 0.020 1 675 84 84 ASP HB2 H 2.326 0.020 2 676 84 84 ASP HB3 H 2.086 0.020 2 677 84 84 ASP CA C 56.996 0.3 1 678 84 84 ASP CB C 40.134 0.3 1 679 84 84 ASP N N 121.983 0.3 1 680 85 85 LEU H H 8.606 0.020 1 681 85 85 LEU HA H 3.896 0.020 1 682 85 85 LEU HB2 H 2.138 0.020 2 683 85 85 LEU HB3 H 1.426 0.020 2 684 85 85 LEU HG H 1.181 0.020 1 685 85 85 LEU HD1 H 1.046 0.020 1 686 85 85 LEU HD2 H 1.046 0.020 1 687 85 85 LEU CA C 57.050 0.3 1 688 85 85 LEU CB C 41.461 0.3 1 689 85 85 LEU CG C 26.193 0.3 1 690 85 85 LEU CD1 C 23.391 0.3 1 691 85 85 LEU N N 124.607 0.3 1 692 86 86 ALA H H 7.357 0.020 1 693 86 86 ALA HA H 3.778 0.020 1 694 86 86 ALA HB H 1.040 0.020 1 695 86 86 ALA CA C 55.495 0.3 1 696 86 86 ALA CB C 17.557 0.3 1 697 86 86 ALA N N 121.240 0.3 1 698 87 87 ALA H H 7.973 0.020 1 699 87 87 ALA HA H 3.847 0.020 1 700 87 87 ALA HB H 1.562 0.020 1 701 87 87 ALA CA C 55.077 0.3 1 702 87 87 ALA CB C 18.220 0.3 1 703 87 87 ALA N N 120.081 0.3 1 704 88 88 ALA H H 8.250 0.020 1 705 88 88 ALA HA H 3.515 0.020 1 706 88 88 ALA HB H 1.041 0.020 1 707 88 88 ALA CA C 54.933 0.3 1 708 88 88 ALA CB C 17.044 0.3 1 709 88 88 ALA N N 122.830 0.3 1 710 89 89 TYR H H 7.361 0.020 1 711 89 89 TYR HA H 4.087 0.020 1 712 89 89 TYR HB2 H 2.898 0.020 2 713 89 89 TYR HB3 H 2.566 0.020 2 714 89 89 TYR CA C 62.719 0.3 1 715 89 89 TYR CB C 38.698 0.3 1 716 89 89 TYR N N 113.396 0.3 1 717 90 90 ARG H H 8.205 0.020 1 718 90 90 ARG HA H 3.851 0.020 1 719 90 90 ARG HB2 H 1.993 0.020 2 720 90 90 ARG HB3 H 1.902 0.020 2 721 90 90 ARG HG2 H 1.803 0.020 1 722 90 90 ARG HG3 H 1.803 0.020 1 723 90 90 ARG HD2 H 3.089 0.020 1 724 90 90 ARG HD3 H 3.089 0.020 1 725 90 90 ARG CA C 60.667 0.3 1 726 90 90 ARG CB C 29.429 0.3 1 727 90 90 ARG CG C 26.680 0.3 1 728 90 90 ARG CD C 43.071 0.3 1 729 90 90 ARG N N 120.914 0.3 1 730 91 91 ALA H H 8.489 0.020 1 731 91 91 ALA HA H 4.178 0.020 1 732 91 91 ALA HB H 1.517 0.020 1 733 91 91 ALA CA C 54.313 0.3 1 734 91 91 ALA CB C 17.641 0.3 1 735 91 91 ALA N N 124.750 0.3 1 736 92 92 VAL H H 7.614 0.020 1 737 92 92 VAL HA H 3.135 0.020 1 738 92 92 VAL HB H 2.469 0.020 1 739 92 92 VAL HG1 H 0.899 0.020 1 740 92 92 VAL HG2 H 0.852 0.020 1 741 92 92 VAL CA C 66.897 0.3 1 742 92 92 VAL CB C 31.168 0.3 1 743 92 92 VAL CG1 C 23.916 0.3 1 744 92 92 VAL CG2 C 21.978 0.3 1 745 92 92 VAL N N 120.251 0.3 1 746 93 93 ALA H H 8.038 0.020 1 747 93 93 ALA HA H 3.614 0.020 1 748 93 93 ALA HB H 1.233 0.020 1 749 93 93 ALA CA C 55.299 0.3 1 750 93 93 ALA CB C 18.122 0.3 1 751 93 93 ALA N N 122.224 0.3 1 752 94 94 ALA H H 8.009 0.020 1 753 94 94 ALA HA H 4.088 0.020 1 754 94 94 ALA HB H 1.470 0.020 1 755 94 94 ALA CA C 54.811 0.3 1 756 94 94 ALA CB C 17.630 0.3 1 757 94 94 ALA N N 118.751 0.3 1 758 95 95 GLU H H 7.523 0.020 1 759 95 95 GLU HA H 4.040 0.020 1 760 95 95 GLU HB2 H 2.134 0.020 2 761 95 95 GLU HB3 H 1.993 0.020 2 762 95 95 GLU HG2 H 2.374 0.020 1 763 95 95 GLU HG3 H 2.374 0.020 1 764 95 95 GLU CA C 57.797 0.3 1 765 95 95 GLU CB C 28.494 0.3 1 766 95 95 GLU CG C 33.877 0.3 1 767 95 95 GLU N N 119.726 0.3 1 768 96 96 ILE H H 7.976 0.020 1 769 96 96 ILE HA H 3.279 0.020 1 770 96 96 ILE HB H 1.996 0.020 1 771 96 96 ILE HG12 H 1.279 0.020 1 772 96 96 ILE HG13 H 1.279 0.020 1 773 96 96 ILE HG2 H 0.757 0.020 1 774 96 96 ILE HD1 H 0.519 0.020 1 775 96 96 ILE CA C 63.747 0.3 1 776 96 96 ILE CB C 36.656 0.3 1 777 96 96 ILE CG1 C 28.508 0.3 1 778 96 96 ILE CG2 C 16.975 0.3 1 779 96 96 ILE CD1 C 13.892 0.3 1 780 96 96 ILE N N 119.816 0.3 1 781 97 97 ASN H H 8.147 0.020 1 782 97 97 ASN HA H 4.418 0.020 1 783 97 97 ASN HB2 H 2.755 0.020 2 784 97 97 ASN HB3 H 2.660 0.020 2 785 97 97 ASN CA C 54.963 0.3 1 786 97 97 ASN CB C 37.341 0.3 1 787 97 97 ASN N N 116.714 0.3 1 788 98 98 ARG H H 8.315 0.020 1 789 98 98 ARG HA H 3.993 0.020 1 790 98 98 ARG HB2 H 1.851 0.020 1 791 98 98 ARG HB3 H 1.851 0.020 1 792 98 98 ARG HG2 H 1.515 0.020 2 793 98 98 ARG HG3 H 1.372 0.020 2 794 98 98 ARG HD2 H 2.696 0.020 1 795 98 98 ARG HD3 H 2.696 0.020 1 796 98 98 ARG CA C 59.193 0.3 1 797 98 98 ARG CB C 30.578 0.3 1 798 98 98 ARG CG C 27.843 0.3 1 799 98 98 ARG CD C 43.127 0.3 1 800 98 98 ARG N N 122.789 0.3 1 801 99 99 LEU H H 7.644 0.020 1 802 99 99 LEU HA H 4.135 0.020 1 803 99 99 LEU HB2 H 1.369 0.020 2 804 99 99 LEU HB3 H 1.041 0.020 2 805 99 99 LEU HG H 0.280 0.020 1 806 99 99 LEU HD1 H 1.269 0.020 1 807 99 99 LEU HD2 H 0.661 0.020 1 808 99 99 LEU CA C 54.219 0.3 1 809 99 99 LEU CB C 41.899 0.3 1 810 99 99 LEU CG C 25.329 0.3 1 811 99 99 LEU CD1 C 26.860 0.3 1 812 99 99 LEU CD2 C 21.773 0.3 1 813 99 99 LEU N N 117.553 0.3 1 814 100 100 SER H H 7.596 0.020 1 815 100 100 SER HA H 3.903 0.020 1 816 100 100 SER HB2 H 3.945 0.020 2 817 100 100 SER HB3 H 3.847 0.020 2 818 100 100 SER CA C 58.169 0.3 1 819 100 100 SER CB C 60.999 0.3 1 820 100 100 SER N N 115.659 0.3 1 821 101 101 ILE H H 7.587 0.020 1 822 101 101 ILE HA H 3.897 0.020 1 823 101 101 ILE HG12 H 0.804 0.020 1 824 101 101 ILE HG13 H 0.804 0.020 1 825 101 101 ILE HG2 H 0.755 0.020 1 826 101 101 ILE HD1 H 0.232 0.020 1 827 101 101 ILE CA C 61.246 0.3 1 828 101 101 ILE CB C 38.603 0.3 1 829 101 101 ILE CG1 C 19.573 0.3 1 830 101 101 ILE CG2 C 16.246 0.3 1 831 101 101 ILE CD1 C 13.508 0.3 1 832 101 101 ILE N N 120.659 0.3 1 833 102 102 SER H H 9.193 0.020 1 834 102 102 SER HA H 4.324 0.020 1 835 102 102 SER HB2 H 3.926 0.020 2 836 102 102 SER HB3 H 3.838 0.020 2 837 102 102 SER CA C 60.399 0.3 1 838 102 102 SER CB C 64.021 0.3 1 839 102 102 SER N N 122.596 0.3 1 840 103 103 SER H H 7.429 0.020 1 841 103 103 SER HA H 5.609 0.020 1 842 103 103 SER HB2 H 3.922 0.020 2 843 103 103 SER HB3 H 3.823 0.020 2 844 103 103 SER CA C 56.048 0.3 1 845 103 103 SER CB C 65.944 0.3 1 846 103 103 SER N N 114.775 0.3 1 847 104 104 VAL H H 8.664 0.020 1 848 104 104 VAL HA H 5.131 0.020 1 849 104 104 VAL HB H 1.661 0.020 1 850 104 104 VAL HG1 H 0.756 0.020 1 851 104 104 VAL HG2 H 0.657 0.020 1 852 104 104 VAL CA C 58.337 0.3 1 853 104 104 VAL CB C 35.271 0.3 1 854 104 104 VAL CG1 C 20.037 0.3 1 855 104 104 VAL CG2 C 21.993 0.3 1 856 104 104 VAL N N 118.723 0.3 1 857 105 105 ALA H H 8.886 0.020 1 858 105 105 ALA HA H 5.468 0.020 1 859 105 105 ALA HB H 1.423 0.020 1 860 105 105 ALA CA C 49.629 0.3 1 861 105 105 ALA CB C 22.490 0.3 1 862 105 105 ALA N N 133.041 0.3 1 863 106 106 ILE H H 9.414 0.020 1 864 106 106 ILE HA H 5.089 0.020 1 865 106 106 ILE HB H 1.612 0.020 1 866 106 106 ILE HG2 H 1.088 0.020 1 867 106 106 ILE HD1 H 0.993 0.020 1 868 106 106 ILE CA C 56.823 0.3 1 869 106 106 ILE CB C 44.391 0.3 1 870 106 106 ILE CG1 C 27.375 0.3 1 871 106 106 ILE CG2 C 16.020 0.3 1 872 106 106 ILE CD1 C 15.116 0.3 1 873 106 106 ILE N N 123.160 0.3 1 874 107 107 PRO HA H 5.516 0.020 1 875 107 107 PRO HB2 H 2.154 0.020 2 876 107 107 PRO HB3 H 1.994 0.020 2 877 107 107 PRO HG2 H 2.100 0.020 2 878 107 107 PRO HG3 H 1.702 0.020 2 879 107 107 PRO HD2 H 4.039 0.020 2 880 107 107 PRO HD3 H 3.609 0.020 2 881 107 107 PRO CA C 60.834 0.3 1 882 107 107 PRO CB C 31.984 0.3 1 883 107 107 PRO CG C 25.423 0.3 1 884 107 107 PRO CD C 50.474 0.3 1 885 108 108 LEU H H 8.791 0.020 1 886 108 108 LEU HA H 4.683 0.020 1 887 108 108 LEU HB2 H 2.041 0.020 2 888 108 108 LEU HB3 H 1.132 0.020 2 889 108 108 LEU HG H 0.900 0.020 1 890 108 108 LEU HD1 H 0.755 0.020 1 891 108 108 LEU HD2 H 0.755 0.020 1 892 108 108 LEU CA C 53.824 0.3 1 893 108 108 LEU CB C 41.019 0.3 1 894 108 108 LEU CG C 27.902 0.3 1 895 108 108 LEU CD1 C 24.017 0.3 1 896 108 108 LEU CD2 C 23.694 0.3 1 897 108 108 LEU N N 113.563 0.3 1 898 109 109 LEU H H 8.213 0.020 1 899 109 109 LEU HA H 4.186 0.020 1 900 109 109 LEU HB2 H 1.470 0.020 2 901 109 109 LEU HB3 H 0.999 0.020 2 902 109 109 LEU HG H 1.425 0.020 1 903 109 109 LEU HD1 H -0.148 0.020 1 904 109 109 LEU HD2 H 0.659 0.020 1 905 109 109 LEU CA C 54.753 0.3 1 906 109 109 LEU CB C 41.988 0.3 1 907 109 109 LEU CG C 28.414 0.3 1 908 109 109 LEU CD1 C 24.923 0.3 1 909 109 109 LEU CD2 C 24.638 0.3 1 910 109 109 LEU N N 128.269 0.3 1 911 110 110 SER H H 10.047 0.020 1 912 110 110 SER CA C 61.827 0.3 1 913 110 110 SER CB C 59.101 0.3 1 914 110 110 SER N N 113.573 0.3 1 915 111 111 THR H H 7.064 0.020 1 916 111 111 THR CA C 60.668 0.3 1 917 111 111 THR CB C 70.211 0.3 1 918 111 111 THR N N 131.510 0.3 1 919 112 112 GLY HA2 H 4.358 0.020 1 920 112 112 GLY CA C 45.326 0.3 1 921 114 114 PHE HA H 4.942 0.020 1 922 114 114 PHE HB2 H 4.230 0.020 2 923 114 114 PHE HB3 H 3.397 0.020 2 924 114 114 PHE CA C 55.221 0.3 1 925 114 114 PHE CB C 37.655 0.3 1 926 115 115 SER H H 8.408 0.020 1 927 115 115 SER HA H 4.230 0.020 1 928 115 115 SER HB2 H 4.468 0.020 2 929 115 115 SER HB3 H 4.043 0.020 2 930 115 115 SER CA C 61.277 0.3 1 931 115 115 SER CB C 65.208 0.3 1 932 115 115 SER N N 115.312 0.3 1 933 116 116 ALA H H 8.201 0.020 1 934 116 116 ALA HA H 4.217 0.020 1 935 116 116 ALA HB H 1.231 0.020 1 936 116 116 ALA CA C 52.095 0.3 1 937 116 116 ALA CB C 16.950 0.3 1 938 116 116 ALA N N 123.823 0.3 1 939 117 117 GLY H H 8.204 0.020 1 940 117 117 GLY HA2 H 4.041 0.020 2 941 117 117 GLY HA3 H 3.659 0.020 2 942 117 117 GLY CA C 45.585 0.3 1 943 117 117 GLY N N 106.186 0.3 1 944 118 118 LYS H H 6.782 0.020 1 945 118 118 LYS HA H 4.422 0.020 1 946 118 118 LYS HB2 H 1.564 0.020 2 947 118 118 LYS HB3 H 1.417 0.020 2 948 118 118 LYS HG2 H 1.325 0.020 2 949 118 118 LYS HG3 H 1.230 0.020 2 950 118 118 LYS HD2 H 1.517 0.020 1 951 118 118 LYS HD3 H 1.517 0.020 1 952 118 118 LYS HE2 H 2.850 0.020 1 953 118 118 LYS HE3 H 2.850 0.020 1 954 118 118 LYS CA C 53.960 0.3 1 955 118 118 LYS CB C 34.298 0.3 1 956 118 118 LYS CG C 25.030 0.3 1 957 118 118 LYS CD C 28.542 0.3 1 958 118 118 LYS CE C 42.025 0.3 1 959 118 118 LYS N N 119.726 0.3 1 960 121 121 VAL H H 7.739 0.020 1 961 121 121 VAL HA H 2.851 0.020 1 962 121 121 VAL HB H 1.374 0.020 1 963 121 121 VAL HG1 H 0.184 0.020 1 964 121 121 VAL HG2 H -0.529 0.020 1 965 121 121 VAL CA C 67.598 0.3 1 966 121 121 VAL CB C 30.021 0.3 1 967 121 121 VAL CG1 C 18.928 0.3 1 968 121 121 VAL CG2 C 20.582 0.3 1 969 121 121 VAL N N 122.474 0.3 1 970 122 122 HIS H H 8.547 0.020 1 971 122 122 HIS HA H 3.904 0.020 1 972 122 122 HIS HB2 H 2.854 0.020 2 973 122 122 HIS HB3 H 2.756 0.020 2 974 122 122 HIS CA C 60.626 0.3 1 975 122 122 HIS CB C 29.321 0.3 1 976 122 122 HIS N N 117.853 0.3 1 977 123 123 GLN H H 8.145 0.020 1 978 123 123 GLN HA H 3.801 0.020 1 979 123 123 GLN HB2 H 1.948 0.020 1 980 123 123 GLN HB3 H 1.948 0.020 1 981 123 123 GLN HG2 H 2.426 0.020 2 982 123 123 GLN HG3 H 2.468 0.020 2 983 123 123 GLN CA C 58.329 0.3 1 984 123 123 GLN CB C 28.067 0.3 1 985 123 123 GLN CG C 32.064 0.3 1 986 123 123 GLN N N 122.773 0.3 1 987 124 124 SER H H 8.735 0.020 1 988 124 124 SER HA H 4.230 0.020 1 989 124 124 SER HB2 H 3.943 0.020 1 990 124 124 SER HB3 H 3.943 0.020 1 991 124 124 SER CA C 61.586 0.3 1 992 124 124 SER CB C 64.385 0.3 1 993 124 124 SER N N 111.903 0.3 1 994 125 125 LEU H H 8.688 0.020 1 995 125 125 LEU HA H 3.900 0.020 1 996 125 125 LEU HB2 H 1.851 0.020 1 997 125 125 LEU HB3 H 1.851 0.020 1 998 125 125 LEU HG H 0.757 0.020 1 999 125 125 LEU HD1 H 0.723 0.020 1 1000 125 125 LEU HD2 H 0.723 0.020 1 1001 125 125 LEU CA C 56.958 0.3 1 1002 125 125 LEU CB C 41.816 0.3 1 1003 125 125 LEU CG C 27.464 0.3 1 1004 125 125 LEU CD1 C 23.854 0.3 1 1005 125 125 LEU CD2 C 23.534 0.3 1 1006 125 125 LEU N N 118.712 0.3 1 1007 126 126 SER H H 8.176 0.020 1 1008 126 126 SER HA H 3.799 0.020 1 1009 126 126 SER HB2 H 1.842 0.020 1 1010 126 126 SER HB3 H 1.842 0.020 1 1011 126 126 SER CA C 62.086 0.3 1 1012 126 126 SER N N 114.389 0.3 1 1013 127 127 HIS H H 6.942 0.020 1 1014 127 127 HIS HA H 4.706 0.020 1 1015 127 127 HIS HB2 H 3.088 0.020 1 1016 127 127 HIS HB3 H 3.088 0.020 1 1017 127 127 HIS CA C 57.837 0.3 1 1018 127 127 HIS CB C 32.114 0.3 1 1019 127 127 HIS N N 120.408 0.3 1 1020 128 128 LEU H H 7.708 0.020 1 1021 128 128 LEU HA H 2.611 0.020 1 1022 128 128 LEU HB2 H 1.137 0.020 1 1023 128 128 LEU HB3 H 1.137 0.020 1 1024 128 128 LEU HG H 0.899 0.020 1 1025 128 128 LEU HD1 H 0.664 0.020 1 1026 128 128 LEU CA C 59.474 0.3 1 1027 128 128 LEU CB C 41.475 0.3 1 1028 128 128 LEU CG C 28.249 0.3 1 1029 128 128 LEU CD1 C 23.952 0.3 1 1030 128 128 LEU N N 127.559 0.3 1 1031 129 129 LEU H H 8.301 0.020 1 1032 129 129 LEU HA H 3.802 0.020 1 1033 129 129 LEU HB2 H 1.471 0.020 2 1034 129 129 LEU HB3 H 1.042 0.020 2 1035 129 129 LEU HG H 0.329 0.020 1 1036 129 129 LEU HD1 H -0.194 0.020 1 1037 129 129 LEU CA C 56.591 0.3 1 1038 129 129 LEU CB C 40.901 0.3 1 1039 129 129 LEU CG C 25.410 0.3 1 1040 129 129 LEU CD1 C 21.392 0.3 1 1041 129 129 LEU N N 120.814 0.3 1 1042 130 130 ALA H H 7.342 0.020 1 1043 130 130 ALA HA H 3.944 0.020 1 1044 130 130 ALA HB H 1.423 0.020 1 1045 130 130 ALA CA C 54.564 0.3 1 1046 130 130 ALA CB C 18.256 0.3 1 1047 130 130 ALA N N 118.294 0.3 1 1048 131 131 ALA H H 7.213 0.020 1 1049 131 131 ALA HA H 4.228 0.020 1 1050 131 131 ALA HB H 1.423 0.020 1 1051 131 131 ALA CA C 53.617 0.3 1 1052 131 131 ALA CB C 19.841 0.3 1 1053 131 131 ALA N N 116.399 0.3 1 1054 132 132 MET H H 9.415 0.020 1 1055 132 132 MET HA H 4.513 0.020 1 1056 132 132 MET HB2 H 1.945 0.020 1 1057 132 132 MET HB3 H 1.945 0.020 1 1058 132 132 MET CA C 55.968 0.3 1 1059 132 132 MET CB C 30.626 0.3 1 1060 132 132 MET N N 119.685 0.3 1 1061 133 133 ASP H H 8.501 0.020 1 1062 133 133 ASP HA H 4.543 0.020 1 1063 133 133 ASP HB2 H 2.706 0.020 2 1064 133 133 ASP HB3 H 2.800 0.020 2 1065 133 133 ASP CA C 56.182 0.3 1 1066 133 133 ASP CB C 40.173 0.3 1 1067 133 133 ASP N N 121.429 0.3 1 1068 134 134 THR H H 7.589 0.020 1 1069 134 134 THR HA H 4.531 0.020 1 1070 134 134 THR HB H 4.483 0.020 1 1071 134 134 THR HG2 H 1.278 0.020 1 1072 134 134 THR CA C 62.061 0.3 1 1073 134 134 THR CB C 69.234 0.3 1 1074 134 134 THR CG2 C 20.922 0.3 1 1075 134 134 THR N N 109.298 0.3 1 1076 135 135 THR H H 7.807 0.020 1 1077 135 135 THR HA H 5.134 0.020 1 1078 135 135 THR HB H 4.134 0.020 1 1079 135 135 THR HG2 H 1.137 0.020 1 1080 135 135 THR CA C 59.848 0.3 1 1081 135 135 THR CB C 72.141 0.3 1 1082 135 135 THR CG2 C 21.839 0.3 1 1083 135 135 THR N N 115.857 0.3 1 1084 136 136 GLU H H 8.647 0.020 1 1085 136 136 GLU HA H 4.374 0.020 1 1086 136 136 GLU HB2 H 2.281 0.020 1 1087 136 136 GLU HB3 H 2.281 0.020 1 1088 136 136 GLU HG2 H 2.185 0.020 2 1089 136 136 GLU HG3 H 1.994 0.020 2 1090 136 136 GLU CA C 52.961 0.3 1 1091 136 136 GLU CB C 29.204 0.3 1 1092 136 136 GLU CG C 34.663 0.3 1 1093 136 136 GLU N N 116.421 0.3 1 1094 137 137 ALA H H 7.108 0.020 1 1095 137 137 ALA HA H 4.040 0.020 1 1096 137 137 ALA HB H 0.946 0.020 1 1097 137 137 ALA CA C 51.811 0.3 1 1098 137 137 ALA CB C 19.013 0.3 1 1099 137 137 ALA N N 123.121 0.3 1 1100 138 138 ARG H H 7.944 0.020 1 1101 138 138 ARG HA H 4.423 0.020 1 1102 138 138 ARG HB2 H 1.511 0.020 1 1103 138 138 ARG HB3 H 1.511 0.020 1 1104 138 138 ARG HG2 H 1.300 0.020 2 1105 138 138 ARG HG3 H 1.184 0.020 2 1106 138 138 ARG HD2 H 2.864 0.020 1 1107 138 138 ARG HD3 H 2.864 0.020 1 1108 138 138 ARG CA C 56.111 0.3 1 1109 138 138 ARG CB C 28.507 0.3 1 1110 138 138 ARG CG C 24.942 0.3 1 1111 138 138 ARG CD C 41.962 0.3 1 1112 138 138 ARG N N 118.546 0.3 1 1113 139 139 VAL H H 8.654 0.020 1 1114 139 139 VAL HA H 4.373 0.020 1 1115 139 139 VAL HB H 1.851 0.020 1 1116 139 139 VAL HG1 H 0.470 0.020 1 1117 139 139 VAL HG2 H 0.423 0.020 1 1118 139 139 VAL CA C 61.096 0.3 1 1119 139 139 VAL CB C 32.930 0.3 1 1120 139 139 VAL CG1 C 20.376 0.3 1 1121 139 139 VAL CG2 C 21.560 0.3 1 1122 139 139 VAL N N 129.511 0.3 1 1123 140 140 THR H H 9.428 0.020 1 1124 140 140 THR HA H 4.801 0.020 1 1125 140 140 THR HB H 4.038 0.020 1 1126 140 140 THR HG2 H 0.660 0.020 1 1127 140 140 THR CA C 59.883 0.3 1 1128 140 140 THR CB C 69.354 0.3 1 1129 140 140 THR CG2 C 24.176 0.3 1 1130 140 140 THR N N 127.009 0.3 1 1131 141 141 ILE H H 9.214 0.020 1 1132 141 141 ILE HA H 5.086 0.020 1 1133 141 141 ILE HB H 1.706 0.020 1 1134 141 141 ILE HG12 H 1.803 0.020 1 1135 141 141 ILE HG13 H 1.803 0.020 1 1136 141 141 ILE HG2 H 0.851 0.020 1 1137 141 141 ILE HD1 H 0.662 0.020 1 1138 141 141 ILE CA C 60.156 0.3 1 1139 141 141 ILE CB C 39.142 0.3 1 1140 141 141 ILE CG1 C 28.087 0.3 1 1141 141 141 ILE CG2 C 17.143 0.3 1 1142 141 141 ILE CD1 C 14.593 0.3 1 1143 141 141 ILE N N 130.332 0.3 1 1144 142 142 TYR H H 8.648 0.020 1 1145 142 142 TYR HA H 4.420 0.020 1 1146 142 142 TYR HB2 H 2.567 0.020 2 1147 142 142 TYR HB3 H 2.526 0.020 2 1148 142 142 TYR CA C 56.096 0.3 1 1149 142 142 TYR CB C 38.951 0.3 1 1150 142 142 TYR N N 129.223 0.3 1 1151 145 145 ASP HA H 5.467 0.020 1 1152 145 145 ASP HB2 H 2.755 0.020 2 1153 145 145 ASP HB3 H 2.564 0.020 2 1154 145 145 ASP CA C 56.903 0.3 1 1155 145 145 ASP CB C 40.753 0.3 1 1156 146 146 LYS H H 8.793 0.020 1 1157 146 146 LYS HA H 5.128 0.020 1 1158 146 146 LYS HB2 H 1.414 0.020 1 1159 146 146 LYS HB3 H 1.414 0.020 1 1160 146 146 LYS HG2 H 1.281 0.020 1 1161 146 146 LYS HG3 H 1.281 0.020 1 1162 146 146 LYS HD2 H 1.473 0.020 1 1163 146 146 LYS HD3 H 1.473 0.020 1 1164 146 146 LYS HE2 H 2.993 0.020 1 1165 146 146 LYS HE3 H 2.993 0.020 1 1166 146 146 LYS CA C 55.435 0.3 1 1167 146 146 LYS CB C 31.161 0.3 1 1168 146 146 LYS CG C 26.480 0.3 1 1169 146 146 LYS CD C 26.729 0.3 1 1170 146 146 LYS CE C 42.848 0.3 1 1171 146 146 LYS N N 116.089 0.3 1 1172 147 147 THR HA H 4.181 0.020 1 1173 147 147 THR HB H 4.359 0.020 1 1174 147 147 THR HG2 H 1.279 0.020 1 1175 147 147 THR CA C 65.346 0.3 1 1176 147 147 THR CB C 68.057 0.3 1 1177 147 147 THR CG2 C 22.049 0.3 1 1178 148 148 TRP H H 8.266 0.020 1 1179 148 148 TRP HB2 H 3.373 0.020 2 1180 148 148 TRP HB3 H 3.137 0.020 2 1181 148 148 TRP HE1 H 10.124 0.020 1 1182 148 148 TRP CA C 59.349 0.3 1 1183 148 148 TRP CB C 28.461 0.3 1 1184 148 148 TRP N N 124.420 0.3 1 1185 149 149 GLU H H 8.108 0.020 1 1186 149 149 GLU HA H 3.707 0.020 1 1187 149 149 GLU HB2 H 2.374 0.020 1 1188 149 149 GLU HB3 H 2.374 0.020 1 1189 149 149 GLU HG2 H 1.944 0.020 1 1190 149 149 GLU HG3 H 1.944 0.020 1 1191 149 149 GLU CA C 59.914 0.3 1 1192 149 149 GLU CB C 29.948 0.3 1 1193 149 149 GLU CG C 35.073 0.3 1 1194 149 149 GLU N N 120.755 0.3 1 1195 150 150 GLN H H 7.651 0.020 1 1196 150 150 GLN HA H 3.948 0.020 1 1197 150 150 GLN HB2 H 2.135 0.020 1 1198 150 150 GLN HB3 H 2.135 0.020 1 1199 150 150 GLN HG2 H 2.421 0.020 1 1200 150 150 GLN HG3 H 2.421 0.020 1 1201 150 150 GLN CA C 58.457 0.3 1 1202 150 150 GLN CB C 28.053 0.3 1 1203 150 150 GLN CG C 33.335 0.3 1 1204 150 150 GLN N N 116.687 0.3 1 1205 151 151 LYS H H 7.868 0.020 1 1206 151 151 LYS HA H 3.992 0.020 1 1207 151 151 LYS HB2 H 1.848 0.020 2 1208 151 151 LYS HB3 H 1.612 0.020 2 1209 151 151 LYS HG2 H 1.422 0.020 2 1210 151 151 LYS HG3 H 1.375 0.020 2 1211 151 151 LYS HD2 H 1.594 0.020 2 1212 151 151 LYS HD3 H 1.347 0.020 2 1213 151 151 LYS HE2 H 2.866 0.020 2 1214 151 151 LYS HE3 H 2.751 0.020 2 1215 151 151 LYS CA C 59.599 0.3 1 1216 151 151 LYS CB C 32.707 0.3 1 1217 151 151 LYS CG C 25.214 0.3 1 1218 151 151 LYS CD C 29.286 0.3 1 1219 151 151 LYS CE C 41.734 0.3 1 1220 151 151 LYS N N 121.385 0.3 1 1221 152 152 ILE H H 8.680 0.020 1 1222 152 152 ILE HA H 3.362 0.020 1 1223 152 152 ILE HB H 1.737 0.020 1 1224 152 152 ILE HG12 H 1.788 0.020 2 1225 152 152 ILE HG13 H 0.757 0.020 2 1226 152 152 ILE HG2 H 0.733 0.020 1 1227 152 152 ILE HD1 H 0.851 0.020 1 1228 152 152 ILE CA C 64.814 0.3 1 1229 152 152 ILE CB C 38.569 0.3 1 1230 152 152 ILE CG1 C 27.377 0.3 1 1231 152 152 ILE CG2 C 18.218 0.3 1 1232 152 152 ILE CD1 C 14.255 0.3 1 1233 152 152 ILE N N 119.528 0.3 1 1234 153 153 LYS H H 8.386 0.020 1 1235 153 153 LYS HA H 3.659 0.020 1 1236 153 153 LYS HB2 H 1.802 0.020 1 1237 153 153 LYS HB3 H 1.802 0.020 1 1238 153 153 LYS HG2 H 1.611 0.020 2 1239 153 153 LYS HG3 H 1.280 0.020 2 1240 153 153 LYS HD2 H 1.537 0.020 1 1241 153 153 LYS HD3 H 1.537 0.020 1 1242 153 153 LYS HE2 H 2.778 0.020 1 1243 153 153 LYS HE3 H 2.778 0.020 1 1244 153 153 LYS CA C 60.560 0.3 1 1245 153 153 LYS CB C 32.072 0.3 1 1246 153 153 LYS CG C 26.055 0.3 1 1247 153 153 LYS CD C 29.280 0.3 1 1248 153 153 LYS CE C 41.726 0.3 1 1249 153 153 LYS N N 119.100 0.3 1 1250 154 154 THR H H 7.955 0.020 1 1251 154 154 THR HA H 4.181 0.020 1 1252 154 154 THR HB H 3.801 0.020 1 1253 154 154 THR HG2 H 1.136 0.020 1 1254 154 154 THR CA C 68.623 0.3 1 1255 154 154 THR CB C 66.935 0.3 1 1256 154 154 THR CG2 C 21.178 0.3 1 1257 154 154 THR N N 115.942 0.3 1 1258 155 155 VAL H H 7.316 0.020 1 1259 155 155 VAL HA H 3.560 0.020 1 1260 155 155 VAL HB H 1.992 0.020 1 1261 155 155 VAL HG1 H 0.944 0.020 1 1262 155 155 VAL HG2 H 0.614 0.020 1 1263 155 155 VAL CA C 66.251 0.3 1 1264 155 155 VAL CB C 31.207 0.3 1 1265 155 155 VAL CG1 C 22.398 0.3 1 1266 155 155 VAL CG2 C 20.751 0.3 1 1267 155 155 VAL N N 122.675 0.3 1 1268 156 156 LEU H H 8.124 0.020 1 1269 156 156 LEU HA H 3.660 0.020 1 1270 156 156 LEU HB2 H 1.804 0.020 1 1271 156 156 LEU HB3 H 1.357 0.020 1 1272 156 156 LEU HG H 0.569 0.020 1 1273 156 156 LEU HD1 H 0.329 0.020 1 1274 156 156 LEU CA C 57.587 0.3 1 1275 156 156 LEU CB C 40.767 0.3 1 1276 156 156 LEU CG C 25.607 0.3 1 1277 156 156 LEU CD1 C 22.140 0.3 1 1278 156 156 LEU N N 117.918 0.3 1 1279 157 157 GLN H H 8.149 0.020 1 1280 157 157 GLN HA H 4.039 0.020 1 1281 157 157 GLN HB2 H 2.087 0.020 2 1282 157 157 GLN HB3 H 2.051 0.020 2 1283 157 157 GLN HG2 H 2.421 0.020 2 1284 157 157 GLN HG3 H 2.377 0.020 2 1285 157 157 GLN CA C 57.552 0.3 1 1286 157 157 GLN CB C 28.415 0.3 1 1287 157 157 GLN CG C 33.869 0.3 1 1288 157 157 GLN N N 117.808 0.3 1 1289 158 158 ASN H H 7.613 0.020 1 1290 158 158 ASN HA H 4.658 0.020 1 1291 158 158 ASN HB2 H 2.748 0.020 2 1292 158 158 ASN HB3 H 2.666 0.020 1 1293 158 158 ASN CA C 53.459 0.3 1 1294 158 158 ASN CB C 38.884 0.3 1 1295 158 158 ASN N N 116.926 0.3 1 1296 159 159 ARG H H 7.535 0.020 1 1297 159 159 ARG HA H 4.088 0.020 1 1298 159 159 ARG HB2 H 1.706 0.020 1 1299 159 159 ARG HB3 H 1.706 0.020 1 1300 159 159 ARG HG2 H 1.470 0.020 1 1301 159 159 ARG HG3 H 1.470 0.020 1 1302 159 159 ARG HD2 H 2.898 0.020 2 1303 159 159 ARG HD3 H 2.801 0.020 2 1304 159 159 ARG CA C 57.077 0.3 1 1305 159 159 ARG CB C 29.913 0.3 1 1306 159 159 ARG CG C 26.944 0.3 1 1307 159 159 ARG CD C 43.425 0.3 1 1308 159 159 ARG N N 120.032 0.3 1 stop_ save_