data_27158 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR study of non-structural proteins part III: 1H, 13C, 15N resonance assignment of macro domain from Chikungunya virus (CHIKV) ; _BMRB_accession_number 27158 _BMRB_flat_file_name bmr27158.str _Entry_type original _Submission_date 2017-06-22 _Accession_date 2017-06-22 _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 Lykouras Michail V. . 2 Tsika Aikaterini C. . 3 Lichiere Julie . . 4 Papageorgiou Nicolas . . 5 Coutard Bruno . . 6 Bentrop Detlef . . 7 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" 763 "13C chemical shifts" 604 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-06 update BMRB 'update entry citation' 2017-09-29 original author 'original release' stop_ _Original_release_date 2017-06-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR study of non-structural proteins-part III: 1H, 13C, 15N backbone and side-chain resonance assignment of macro domain from Chikungunya virus (CHIKV) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28875416 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lykouras Michail V. . 2 Tsika Aikaterini C. . 3 Lichiere Julie . . 4 Papageorgiou Nicolas . . 5 Coutard Bruno . . 6 Bentrop Detlef . . 7 Spyroulias Georgios A. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 31 _Page_last 35 _Year 2018 _Details . loop_ _Keyword 'ADP-ribose binding module' Alphavirus CHIKV 'Chikungunya virus' 'NMR spectroscopy' 'Recombinant protein expression' 'Viral macro domains' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CHIKV macro domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CHIKV macro domain' $CHIKV_macro_domain stop_ _System_molecular_weight 18605.07 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Binding pocket for NAD+ metabolites: ADP-ribose, PAR and negatively charged molecules such as RNA' 'Viral replication, Virulence' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CHIKV_macro_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CHIKV_macro_domain _Molecular_mass 18605.07 _Mol_thiol_state 'all free' loop_ _Biological_function 'Binding pocket for NAD+ metabolites: ADP-ribose, PAR and negatively charged molecules such as RNA' 'Viral replication, Virulence' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 168 _Mol_residue_sequence ; MKHHHHHHAPSYRVKRMDIA KNDEECVVNAANPRGLPGDG VCKAVYKKWPESFKNSATPV GTAKTVMCGTYPVIHAVGPN FSNYSESEGDRELAAAYREV AKEVTRLGVNSVAIPLLSTG VYSGGKDRLTQSLNHLFTAM DSTDADVVIYCRDKEWEKKI SEAIQMRT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 MET 2 -6 LYS 3 -5 HIS 4 -4 HIS 5 -3 HIS 6 -2 HIS 7 -1 HIS 8 0 HIS 9 1 ALA 10 2 PRO 11 3 SER 12 4 TYR 13 5 ARG 14 6 VAL 15 7 LYS 16 8 ARG 17 9 MET 18 10 ASP 19 11 ILE 20 12 ALA 21 13 LYS 22 14 ASN 23 15 ASP 24 16 GLU 25 17 GLU 26 18 CYS 27 19 VAL 28 20 VAL 29 21 ASN 30 22 ALA 31 23 ALA 32 24 ASN 33 25 PRO 34 26 ARG 35 27 GLY 36 28 LEU 37 29 PRO 38 30 GLY 39 31 ASP 40 32 GLY 41 33 VAL 42 34 CYS 43 35 LYS 44 36 ALA 45 37 VAL 46 38 TYR 47 39 LYS 48 40 LYS 49 41 TRP 50 42 PRO 51 43 GLU 52 44 SER 53 45 PHE 54 46 LYS 55 47 ASN 56 48 SER 57 49 ALA 58 50 THR 59 51 PRO 60 52 VAL 61 53 GLY 62 54 THR 63 55 ALA 64 56 LYS 65 57 THR 66 58 VAL 67 59 MET 68 60 CYS 69 61 GLY 70 62 THR 71 63 TYR 72 64 PRO 73 65 VAL 74 66 ILE 75 67 HIS 76 68 ALA 77 69 VAL 78 70 GLY 79 71 PRO 80 72 ASN 81 73 PHE 82 74 SER 83 75 ASN 84 76 TYR 85 77 SER 86 78 GLU 87 79 SER 88 80 GLU 89 81 GLY 90 82 ASP 91 83 ARG 92 84 GLU 93 85 LEU 94 86 ALA 95 87 ALA 96 88 ALA 97 89 TYR 98 90 ARG 99 91 GLU 100 92 VAL 101 93 ALA 102 94 LYS 103 95 GLU 104 96 VAL 105 97 THR 106 98 ARG 107 99 LEU 108 100 GLY 109 101 VAL 110 102 ASN 111 103 SER 112 104 VAL 113 105 ALA 114 106 ILE 115 107 PRO 116 108 LEU 117 109 LEU 118 110 SER 119 111 THR 120 112 GLY 121 113 VAL 122 114 TYR 123 115 SER 124 116 GLY 125 117 GLY 126 118 LYS 127 119 ASP 128 120 ARG 129 121 LEU 130 122 THR 131 123 GLN 132 124 SER 133 125 LEU 134 126 ASN 135 127 HIS 136 128 LEU 137 129 PHE 138 130 THR 139 131 ALA 140 132 MET 141 133 ASP 142 134 SER 143 135 THR 144 136 ASP 145 137 ALA 146 138 ASP 147 139 VAL 148 140 VAL 149 141 ILE 150 142 TYR 151 143 CYS 152 144 ARG 153 145 ASP 154 146 LYS 155 147 GLU 156 148 TRP 157 149 GLU 158 150 LYS 159 151 LYS 160 152 ILE 161 153 SER 162 154 GLU 163 155 ALA 164 156 ILE 165 157 GLN 166 158 MET 167 159 ARG 168 160 THR 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 Q8JUX6 'CHIKV 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 $CHIKV_macro_domain 'Chikungunya virus strain S27-African prototype' 371094 Viruses . Alphavirus 'Chikungunya 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 $CHIKV_macro_domain 'recombinant technology' . Escherichia coli 'Rosetta 2 (DE3) (pLysS)' '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 $CHIKV_macro_domain 0.6 mM '[U-99% 15N]' 'soduim chloride' 20 mM 'natural abundance' Hepes 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CHIKV_macro_domain 0.6 mM '[U-99% 13C; U-99% 15N]' 'soduim chloride' 20 mM 'natural abundance' Hepes 10 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CHIKV_macro_domain 0.3 mM 'natural abundance' 'soduim chloride' 20 mM 'natural abundance' Hepes 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_CARA _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance HD-III H' _Field_strength 700 _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_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 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_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 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' 20 . mM pH 7 . 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 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_ _Experiment_label '2D 1H-15N HSQC' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HNHA' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'CHIKV 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 1 9 ALA H H 8.20 0.02 1 2 1 9 ALA HA H 4.61 0.02 1 3 1 9 ALA HB H 1.31 0.02 1 4 1 9 ALA C C 174.5 0.3 1 5 1 9 ALA CA C 50.4 0.3 1 6 1 9 ALA CB C 18.4 0.3 1 7 1 9 ALA N N 125.2 0.3 1 8 3 11 SER H H 8.35 0.02 1 9 3 11 SER HA H 4.63 0.02 1 10 3 11 SER HB2 H 3.78 0.02 2 11 3 11 SER HB3 H 3.76 0.02 2 12 3 11 SER C C 172.2 0.3 1 13 3 11 SER CA C 57.1 0.3 1 14 3 11 SER CB C 65.3 0.3 1 15 4 12 TYR H H 8.36 0.02 1 16 4 12 TYR HA H 5.61 0.02 1 17 4 12 TYR HB2 H 2.74 0.02 2 18 4 12 TYR HB3 H 2.69 0.02 2 19 4 12 TYR C C 175.3 0.3 1 20 4 12 TYR CA C 57.5 0.3 1 21 4 12 TYR CB C 42.9 0.3 1 22 4 12 TYR N N 119.3 0.3 1 23 5 13 ARG H H 8.70 0.02 1 24 5 13 ARG HA H 4.69 0.02 1 25 5 13 ARG HB2 H 1.87 0.02 2 26 5 13 ARG HB3 H 1.73 0.02 2 27 5 13 ARG HG2 H 1.68 0.02 2 28 5 13 ARG HG3 H 1.55 0.02 2 29 5 13 ARG HD2 H 3.17 0.02 2 30 5 13 ARG HD3 H 3.13 0.02 2 31 5 13 ARG C C 172.9 0.3 1 32 5 13 ARG CA C 54.5 0.3 1 33 5 13 ARG CB C 35.1 0.3 1 34 5 13 ARG CG C 27.3 0.3 1 35 5 13 ARG CD C 43.4 0.3 1 36 5 13 ARG N N 119.6 0.3 1 37 6 14 VAL H H 8.50 0.02 1 38 6 14 VAL HA H 5.64 0.02 1 39 6 14 VAL HB H 1.83 0.02 1 40 6 14 VAL HG1 H 0.91 0.02 1 41 6 14 VAL HG2 H 0.97 0.02 1 42 6 14 VAL C C 173.4 0.3 1 43 6 14 VAL CA C 58.0 0.3 1 44 6 14 VAL CB C 35.0 0.3 1 45 6 14 VAL CG1 C 23.0 0.3 1 46 6 14 VAL CG2 C 19.1 0.3 1 47 6 14 VAL N N 118.0 0.3 1 48 7 15 LYS H H 8.96 0.02 1 49 7 15 LYS HA H 4.37 0.02 1 50 7 15 LYS HB2 H 1.16 0.02 2 51 7 15 LYS HB3 H 0.61 0.02 2 52 7 15 LYS HG2 H 1.10 0.02 2 53 7 15 LYS HG3 H 0.93 0.02 2 54 7 15 LYS HD2 H 1.70 0.02 2 55 7 15 LYS HD3 H 1.61 0.02 2 56 7 15 LYS HE2 H 2.83 0.02 2 57 7 15 LYS HE3 H 2.80 0.02 2 58 7 15 LYS C C 173.5 0.3 1 59 7 15 LYS CA C 54.6 0.3 1 60 7 15 LYS CB C 36.6 0.3 1 61 7 15 LYS CG C 25.0 0.3 1 62 7 15 LYS CD C 29.3 0.3 1 63 7 15 LYS CE C 42.0 0.3 1 64 7 15 LYS N N 127.1 0.3 1 65 8 16 ARG H H 8.59 0.02 1 66 8 16 ARG HA H 5.26 0.02 1 67 8 16 ARG HB2 H 2.14 0.02 2 68 8 16 ARG HB3 H 1.91 0.02 2 69 8 16 ARG HG2 H 1.59 0.02 2 70 8 16 ARG HG3 H 1.32 0.02 2 71 8 16 ARG HD2 H 3.11 0.02 2 72 8 16 ARG HD3 H 2.92 0.02 2 73 8 16 ARG C C 174.6 0.3 1 74 8 16 ARG CA C 53.5 0.3 1 75 8 16 ARG CB C 30.0 0.3 1 76 8 16 ARG CG C 27.8 0.3 1 77 8 16 ARG CD C 42.8 0.3 1 78 8 16 ARG N N 126.1 0.3 1 79 9 17 MET H H 8.14 0.02 1 80 9 17 MET HA H 4.55 0.02 1 81 9 17 MET HB2 H 2.15 0.02 2 82 9 17 MET HB3 H 2.13 0.02 2 83 9 17 MET HG2 H 2.61 0.02 2 84 9 17 MET HG3 H 2.50 0.02 2 85 9 17 MET C C 173.4 0.3 1 86 9 17 MET CA C 54.8 0.3 1 87 9 17 MET CB C 35.4 0.3 1 88 9 17 MET CG C 30.9 0.3 1 89 9 17 MET N N 122.5 0.3 1 90 10 18 ASP H H 8.36 0.02 1 91 10 18 ASP HA H 4.34 0.02 1 92 10 18 ASP HB2 H 2.65 0.02 2 93 10 18 ASP HB3 H 2.62 0.02 2 94 10 18 ASP C C 177.1 0.3 1 95 10 18 ASP CA C 54.6 0.3 1 96 10 18 ASP CB C 41.8 0.3 1 97 10 18 ASP N N 121.6 0.3 1 98 11 19 ILE H H 8.26 0.02 1 99 11 19 ILE HA H 3.22 0.02 1 100 11 19 ILE HB H 1.59 0.02 1 101 11 19 ILE HG12 H 1.00 0.02 2 102 11 19 ILE HG13 H 0.98 0.02 2 103 11 19 ILE HG2 H 0.89 0.02 1 104 11 19 ILE HD1 H 0.73 0.02 1 105 11 19 ILE C C 176.1 0.3 1 106 11 19 ILE CA C 64.4 0.3 1 107 11 19 ILE CB C 38.6 0.3 1 108 11 19 ILE CG1 C 29.4 0.3 1 109 11 19 ILE CG2 C 15.5 0.3 1 110 11 19 ILE CD1 C 14.0 0.3 1 111 11 19 ILE N N 130.4 0.3 1 112 12 20 ALA H H 8.67 0.02 1 113 12 20 ALA HA H 4.32 0.02 1 114 12 20 ALA HB H 1.18 0.02 1 115 12 20 ALA C C 177.5 0.3 1 116 12 20 ALA CA C 53.7 0.3 1 117 12 20 ALA CB C 18.4 0.3 1 118 12 20 ALA N N 125.9 0.3 1 119 13 21 LYS H H 7.97 0.02 1 120 13 21 LYS HA H 4.35 0.02 1 121 13 21 LYS HB2 H 1.79 0.02 2 122 13 21 LYS HB3 H 1.76 0.02 2 123 13 21 LYS HG2 H 0.93 0.02 2 124 13 21 LYS HG3 H 0.91 0.02 2 125 13 21 LYS HD2 H 1.71 0.02 2 126 13 21 LYS HD3 H 1.69 0.02 2 127 13 21 LYS HE2 H 2.99 0.02 2 128 13 21 LYS HE3 H 2.97 0.02 2 129 13 21 LYS C C 175.7 0.3 1 130 13 21 LYS CA C 54.7 0.3 1 131 13 21 LYS CB C 31.5 0.3 1 132 13 21 LYS CG C 25.0 0.3 1 133 13 21 LYS CD C 29.3 0.3 1 134 13 21 LYS CE C 42.0 0.3 1 135 13 21 LYS N N 116.6 0.3 1 136 14 22 ASN H H 7.15 0.02 1 137 14 22 ASN HA H 4.59 0.02 1 138 14 22 ASN HB2 H 2.45 0.02 2 139 14 22 ASN HB3 H 2.37 0.02 2 140 14 22 ASN C C 174.0 0.3 1 141 14 22 ASN CA C 55.6 0.3 1 142 14 22 ASN CB C 38.9 0.3 1 143 14 22 ASN N N 117.6 0.3 1 144 15 23 ASP H H 7.21 0.02 1 145 15 23 ASP HA H 5.16 0.02 1 146 15 23 ASP HB2 H 2.95 0.02 2 147 15 23 ASP HB3 H 2.43 0.02 2 148 15 23 ASP C C 175.3 0.3 1 149 15 23 ASP CA C 53.8 0.3 1 150 15 23 ASP CB C 42.5 0.3 1 151 15 23 ASP N N 121.1 0.3 1 152 16 24 GLU H H 9.03 0.02 1 153 16 24 GLU HA H 4.64 0.02 1 154 16 24 GLU C C 177.2 0.3 1 155 16 24 GLU CA C 57.8 0.3 1 156 16 24 GLU CB C 33.2 0.3 1 157 16 24 GLU N N 121.4 0.3 1 158 17 25 GLU H H 7.83 0.02 1 159 17 25 GLU HA H 4.11 0.02 1 160 17 25 GLU HB2 H 2.33 0.02 2 161 17 25 GLU HB3 H 2.14 0.02 2 162 17 25 GLU HG2 H 2.52 0.02 2 163 17 25 GLU HG3 H 2.50 0.02 2 164 17 25 GLU C C 174.3 0.3 1 165 17 25 GLU CA C 58.0 0.3 1 166 17 25 GLU CB C 31.1 0.3 1 167 17 25 GLU CG C 37.5 0.3 1 168 17 25 GLU N N 117.9 0.3 1 169 18 26 CYS H H 7.38 0.02 1 170 18 26 CYS HA H 3.81 0.02 1 171 18 26 CYS HB2 H 2.81 0.02 2 172 18 26 CYS HB3 H 2.62 0.02 2 173 18 26 CYS C C 170.4 0.3 1 174 18 26 CYS CA C 56.0 0.3 1 175 18 26 CYS CB C 29.3 0.3 1 176 18 26 CYS N N 110.0 0.3 1 177 19 27 VAL H H 7.45 0.02 1 178 19 27 VAL HA H 5.24 0.02 1 179 19 27 VAL HB H 1.96 0.02 1 180 19 27 VAL HG1 H 0.79 0.02 1 181 19 27 VAL HG2 H 0.26 0.02 1 182 19 27 VAL C C 170.6 0.3 1 183 19 27 VAL CA C 58.1 0.3 1 184 19 27 VAL CB C 34.8 0.3 1 185 19 27 VAL CG1 C 22.7 0.3 1 186 19 27 VAL CG2 C 21.3 0.3 1 187 19 27 VAL N N 119.9 0.3 1 188 20 28 VAL H H 8.32 0.02 1 189 20 28 VAL HA H 4.85 0.02 1 190 20 28 VAL HB H 2.25 0.02 1 191 20 28 VAL HG1 H 0.84 0.02 1 192 20 28 VAL HG2 H 0.86 0.02 1 193 20 28 VAL C C 173.5 0.3 1 194 20 28 VAL CA C 59.4 0.3 1 195 20 28 VAL CB C 33.1 0.3 1 196 20 28 VAL CG1 C 22.6 0.3 1 197 20 28 VAL CG2 C 21.2 0.3 1 198 20 28 VAL N N 127.1 0.3 1 199 21 29 ASN H H 8.93 0.02 1 200 21 29 ASN HA H 4.84 0.02 1 201 21 29 ASN HB2 H 2.43 0.02 2 202 21 29 ASN HB3 H 1.99 0.02 2 203 21 29 ASN C C 175.8 0.3 1 204 21 29 ASN CA C 50.6 0.3 1 205 21 29 ASN CB C 41.2 0.3 1 206 21 29 ASN N N 120.0 0.3 1 207 22 30 ALA H H 6.56 0.02 1 208 22 30 ALA HA H 4.61 0.02 1 209 22 30 ALA HB H 1.33 0.02 1 210 22 30 ALA C C 174.8 0.3 1 211 22 30 ALA CA C 50.7 0.3 1 212 22 30 ALA CB C 16.7 0.3 1 213 22 30 ALA N N 131.7 0.3 1 214 23 31 ALA H H 7.72 0.02 1 215 23 31 ALA HA H 4.56 0.02 1 216 23 31 ALA HB H 1.45 0.02 1 217 23 31 ALA C C 175.7 0.3 1 218 23 31 ALA CA C 51.8 0.3 1 219 23 31 ALA CB C 22.7 0.3 1 220 23 31 ALA N N 126.6 0.3 1 221 24 32 ASN H H 8.84 0.02 1 222 24 32 ASN HA H 5.55 0.02 1 223 24 32 ASN HB2 H 3.03 0.02 2 224 24 32 ASN HB3 H 2.89 0.02 2 225 24 32 ASN C C 174.8 0.3 1 226 24 32 ASN CA C 50.5 0.3 1 227 24 32 ASN CB C 40.7 0.3 1 228 24 32 ASN N N 114.7 0.3 1 229 25 33 PRO HA H 5.18 0.02 1 230 25 33 PRO HB2 H 1.95 0.02 2 231 25 33 PRO HB3 H 1.74 0.02 2 232 25 33 PRO HG2 H 2.12 0.02 2 233 25 33 PRO HG3 H 2.02 0.02 2 234 25 33 PRO HD2 H 4.01 0.02 2 235 25 33 PRO HD3 H 3.88 0.02 2 236 25 33 PRO C C 177.7 0.3 1 237 25 33 PRO CA C 64.6 0.3 1 238 25 33 PRO CB C 32.2 0.3 1 239 25 33 PRO CG C 27.6 0.3 1 240 25 33 PRO CD C 50.6 0.3 1 241 26 34 ARG H H 7.53 0.02 1 242 26 34 ARG HA H 4.27 0.02 1 243 26 34 ARG HB2 H 1.71 0.02 2 244 26 34 ARG HB3 H 1.62 0.02 2 245 26 34 ARG HG2 H 1.42 0.02 2 246 26 34 ARG HG3 H 1.20 0.02 2 247 26 34 ARG HD2 H 3.06 0.02 2 248 26 34 ARG HD3 H 2.92 0.02 2 249 26 34 ARG C C 177.0 0.3 1 250 26 34 ARG CA C 55.9 0.3 1 251 26 34 ARG CB C 30.6 0.3 1 252 26 34 ARG CG C 24.7 0.3 1 253 26 34 ARG CD C 42.2 0.3 1 254 26 34 ARG N N 112.5 0.3 1 255 27 35 GLY H H 7.90 0.02 1 256 27 35 GLY HA2 H 3.73 0.02 2 257 27 35 GLY HA3 H 3.60 0.02 2 258 27 35 GLY C C 173.7 0.3 1 259 27 35 GLY CA C 46.3 0.3 1 260 27 35 GLY N N 109.4 0.3 1 261 28 36 LEU H H 8.05 0.02 1 262 28 36 LEU HA H 4.69 0.02 1 263 28 36 LEU HB2 H 1.47 0.02 2 264 28 36 LEU HB3 H 1.44 0.02 2 265 28 36 LEU HG H 1.45 0.02 1 266 28 36 LEU HD1 H 0.83 0.02 1 267 28 36 LEU HD2 H 0.84 0.02 1 268 28 36 LEU C C 176.2 0.3 1 269 28 36 LEU CA C 52.3 0.3 1 270 28 36 LEU CB C 41.7 0.3 1 271 28 36 LEU CG C 26.3 0.3 1 272 28 36 LEU CD1 C 25.1 0.3 1 273 28 36 LEU CD2 C 21.9 0.3 1 274 28 36 LEU N N 118.4 0.3 1 275 29 37 PRO HA H 3.76 0.02 1 276 29 37 PRO HB2 H 1.35 0.02 2 277 29 37 PRO HB3 H 0.97 0.02 2 278 29 37 PRO HG2 H 1.34 0.02 2 279 29 37 PRO HG3 H 0.45 0.02 2 280 29 37 PRO HD2 H 3.36 0.02 2 281 29 37 PRO HD3 H 3.33 0.02 2 282 29 37 PRO C C 176.1 0.3 1 283 29 37 PRO CA C 64.2 0.3 1 284 29 37 PRO CB C 31.2 0.3 1 285 29 37 PRO CG C 26.6 0.3 1 286 29 37 PRO CD C 49.9 0.3 1 287 30 38 GLY H H 7.24 0.02 1 288 30 38 GLY HA2 H 4.02 0.02 2 289 30 38 GLY HA3 H 3.76 0.02 2 290 30 38 GLY C C 172.2 0.3 1 291 30 38 GLY CA C 44.8 0.3 1 292 30 38 GLY N N 106.1 0.3 1 293 31 39 ASP H H 8.15 0.02 1 294 31 39 ASP HA H 4.84 0.02 1 295 31 39 ASP HB2 H 2.71 0.02 2 296 31 39 ASP HB3 H 2.53 0.02 2 297 31 39 ASP C C 176.8 0.3 1 298 31 39 ASP CA C 53.5 0.3 1 299 31 39 ASP CB C 43.9 0.3 1 300 31 39 ASP N N 119.3 0.3 1 301 32 40 GLY H H 8.85 0.02 1 302 32 40 GLY C C 178.7 0.3 1 303 32 40 GLY CA C 46.2 0.3 1 304 32 40 GLY N N 108.3 0.3 1 305 33 41 VAL H H 7.63 0.02 1 306 33 41 VAL HA H 3.95 0.02 1 307 33 41 VAL HB H 2.26 0.02 1 308 33 41 VAL HG1 H 1.23 0.02 1 309 33 41 VAL HG2 H 1.23 0.02 1 310 33 41 VAL C C 176.1 0.3 1 311 33 41 VAL CA C 65.6 0.3 1 312 33 41 VAL CB C 32.0 0.3 1 313 33 41 VAL CG1 C 22.1 0.3 1 314 33 41 VAL CG2 C 21.3 0.3 1 315 34 42 CYS H H 8.27 0.02 1 316 34 42 CYS HA H 5.14 0.02 1 317 34 42 CYS HB2 H 3.40 0.02 2 318 34 42 CYS HB3 H 3.22 0.02 2 319 34 42 CYS C C 176.2 0.3 1 320 34 42 CYS CA C 59.5 0.3 1 321 34 42 CYS CB C 26.4 0.3 1 322 34 42 CYS N N 119.4 0.3 1 323 35 43 LYS H H 6.99 0.02 1 324 35 43 LYS HA H 3.98 0.02 1 325 35 43 LYS HB2 H 1.88 0.02 2 326 35 43 LYS HB3 H 1.85 0.02 2 327 35 43 LYS HG2 H 1.54 0.02 2 328 35 43 LYS HG3 H 1.41 0.02 2 329 35 43 LYS HD2 H 1.74 0.02 2 330 35 43 LYS HD3 H 1.71 0.02 2 331 35 43 LYS HE2 H 2.98 0.02 2 332 35 43 LYS HE3 H 2.92 0.02 2 333 35 43 LYS C C 178.3 0.3 1 334 35 43 LYS CA C 58.7 0.3 1 335 35 43 LYS CB C 31.7 0.3 1 336 35 43 LYS CG C 24.5 0.3 1 337 35 43 LYS CD C 29.2 0.3 1 338 35 43 LYS CE C 41.7 0.3 1 339 35 43 LYS N N 119.6 0.3 1 340 36 44 ALA H H 7.65 0.02 1 341 36 44 ALA HA H 4.12 0.02 1 342 36 44 ALA HB H 1.68 0.02 1 343 36 44 ALA C C 180.7 0.3 1 344 36 44 ALA CA C 54.8 0.3 1 345 36 44 ALA CB C 18.6 0.3 1 346 36 44 ALA N N 122.6 0.3 1 347 37 45 VAL H H 8.42 0.02 1 348 37 45 VAL HA H 4.03 0.02 1 349 37 45 VAL HB H 2.52 0.02 1 350 37 45 VAL HG1 H 1.14 0.02 1 351 37 45 VAL HG2 H 1.22 0.02 1 352 37 45 VAL C C 177.7 0.3 1 353 37 45 VAL CA C 66.4 0.3 1 354 37 45 VAL CB C 31.5 0.3 1 355 37 45 VAL CG1 C 23.5 0.3 1 356 37 45 VAL CG2 C 21.4 0.3 1 357 37 45 VAL N N 120.1 0.3 1 358 38 46 TYR H H 8.66 0.02 1 359 38 46 TYR HA H 3.87 0.02 1 360 38 46 TYR HB2 H 2.76 0.02 2 361 38 46 TYR HB3 H 2.42 0.02 2 362 38 46 TYR C C 175.6 0.3 1 363 38 46 TYR CA C 61.5 0.3 1 364 38 46 TYR CB C 37.4 0.3 1 365 38 46 TYR N N 121.2 0.3 1 366 39 47 LYS H H 7.71 0.02 1 367 39 47 LYS HA H 3.67 0.02 1 368 39 47 LYS HB2 H 1.80 0.02 2 369 39 47 LYS HB3 H 1.78 0.02 2 370 39 47 LYS HG2 H 1.53 0.02 2 371 39 47 LYS HG3 H 1.37 0.02 2 372 39 47 LYS HD2 H 1.72 0.02 2 373 39 47 LYS HD3 H 1.61 0.02 2 374 39 47 LYS HE2 H 2.92 0.02 2 375 39 47 LYS HE3 H 2.91 0.02 2 376 39 47 LYS C C 177.7 0.3 1 377 39 47 LYS CA C 58.3 0.3 1 378 39 47 LYS CB C 32.0 0.3 1 379 39 47 LYS CG C 24.8 0.3 1 380 39 47 LYS CD C 29.0 0.3 1 381 39 47 LYS CE C 41.9 0.3 1 382 39 47 LYS N N 114.7 0.3 1 383 40 48 LYS H H 7.10 0.02 1 384 40 48 LYS HA H 3.91 0.02 1 385 40 48 LYS HB2 H 1.10 0.02 2 386 40 48 LYS HB3 H 1.01 0.02 2 387 40 48 LYS HG2 H -0.38 0.02 2 388 40 48 LYS HG3 H -0.63 0.02 2 389 40 48 LYS HD2 H 1.13 0.02 2 390 40 48 LYS HD3 H 0.80 0.02 2 391 40 48 LYS HE2 H 2.45 0.02 2 392 40 48 LYS HE3 H 2.30 0.02 2 393 40 48 LYS C C 175.5 0.3 1 394 40 48 LYS CA C 56.7 0.3 1 395 40 48 LYS CB C 33.4 0.3 1 396 40 48 LYS CG C 22.2 0.3 1 397 40 48 LYS CD C 27.7 0.3 1 398 40 48 LYS CE C 42.0 0.3 1 399 40 48 LYS N N 118.1 0.3 1 400 41 49 TRP H H 8.69 0.02 1 401 41 49 TRP HA H 5.25 0.02 1 402 41 49 TRP HB2 H 3.32 0.02 2 403 41 49 TRP HB3 H 3.21 0.02 2 404 41 49 TRP C C 174.7 0.3 1 405 41 49 TRP CA C 56.4 0.3 1 406 41 49 TRP CB C 28.0 0.3 1 407 41 49 TRP N N 116.0 0.3 1 408 42 50 PRO HA H 4.24 0.02 1 409 42 50 PRO HB2 H 1.66 0.02 2 410 42 50 PRO HB3 H 1.61 0.02 2 411 42 50 PRO HG2 H 1.87 0.02 2 412 42 50 PRO HG3 H 1.85 0.02 2 413 42 50 PRO HD2 H 3.16 0.02 2 414 42 50 PRO HD3 H 3.14 0.02 2 415 42 50 PRO C C 180.9 0.3 1 416 42 50 PRO CA C 66.7 0.3 1 417 42 50 PRO CB C 30.1 0.3 1 418 42 50 PRO CG C 27.3 0.3 1 419 42 50 PRO CD C 50.1 0.3 1 420 43 51 GLU H H 9.57 0.02 1 421 43 51 GLU HA H 4.27 0.02 1 422 43 51 GLU HB2 H 2.29 0.02 2 423 43 51 GLU HB3 H 2.26 0.02 2 424 43 51 GLU HG2 H 2.47 0.02 2 425 43 51 GLU HG3 H 2.43 0.02 2 426 43 51 GLU C C 178.2 0.3 1 427 43 51 GLU CA C 59.1 0.3 1 428 43 51 GLU CB C 28.4 0.3 1 429 43 51 GLU CG C 36.5 0.3 1 430 43 51 GLU N N 119.1 0.3 1 431 44 52 SER H H 8.52 0.02 1 432 44 52 SER HA H 4.25 0.02 1 433 44 52 SER HB2 H 4.01 0.02 2 434 44 52 SER HB3 H 3.98 0.02 2 435 44 52 SER CA C 60.7 0.3 1 436 44 52 SER CB C 64.1 0.3 1 437 44 52 SER N N 115.0 0.3 1 438 45 53 PHE H H 8.02 0.02 1 439 45 53 PHE HA H 4.46 0.02 1 440 45 53 PHE HB2 H 3.34 0.02 2 441 45 53 PHE HB3 H 3.23 0.02 2 442 45 53 PHE C C 175.9 0.3 1 443 45 53 PHE CA C 58.0 0.3 1 444 45 53 PHE CB C 37.0 0.3 1 445 45 53 PHE N N 122.0 0.3 1 446 46 54 LYS H H 6.97 0.02 1 447 46 54 LYS HA H 4.27 0.02 1 448 46 54 LYS HB2 H 1.82 0.02 2 449 46 54 LYS HB3 H 1.81 0.02 2 450 46 54 LYS HG2 H 1.54 0.02 2 451 46 54 LYS HG3 H 1.42 0.02 2 452 46 54 LYS HD2 H 1.79 0.02 2 453 46 54 LYS HD3 H 1.78 0.02 2 454 46 54 LYS HE2 H 3.06 0.02 2 455 46 54 LYS HE3 H 3.05 0.02 2 456 46 54 LYS C C 175.3 0.3 1 457 46 54 LYS CA C 56.6 0.3 1 458 46 54 LYS CB C 32.2 0.3 1 459 46 54 LYS CG C 24.5 0.3 1 460 46 54 LYS CD C 29.0 0.3 1 461 46 54 LYS CE C 41.9 0.3 1 462 46 54 LYS N N 122.4 0.3 1 463 47 55 ASN H H 9.19 0.02 1 464 47 55 ASN HA H 4.53 0.02 1 465 47 55 ASN HB2 H 3.01 0.02 2 466 47 55 ASN HB3 H 2.73 0.02 2 467 47 55 ASN C C 175.1 0.3 1 468 47 55 ASN CA C 54.0 0.3 1 469 47 55 ASN CB C 37.5 0.3 1 470 47 55 ASN N N 122.6 0.3 1 471 48 56 SER H H 7.76 0.02 1 472 48 56 SER HA H 3.71 0.02 1 473 48 56 SER HB2 H 3.09 0.02 2 474 48 56 SER HB3 H 2.83 0.02 2 475 48 56 SER CA C 59.1 0.3 1 476 48 56 SER CB C 63.7 0.3 1 477 48 56 SER N N 111.1 0.3 1 478 49 57 ALA H H 7.63 0.02 1 479 49 57 ALA HA H 3.60 0.02 1 480 49 57 ALA HB H 1.18 0.02 1 481 49 57 ALA C C 176.4 0.3 1 482 49 57 ALA CA C 54.2 0.3 1 483 49 57 ALA CB C 18.4 0.3 1 484 49 57 ALA N N 124.5 0.3 1 485 50 58 THR H H 7.57 0.02 1 486 50 58 THR HA H 4.74 0.02 1 487 50 58 THR HB H 3.75 0.02 1 488 50 58 THR HG2 H 0.95 0.02 1 489 50 58 THR C C 170.3 0.3 1 490 50 58 THR CA C 59.6 0.3 1 491 50 58 THR CB C 70.9 0.3 1 492 50 58 THR CG2 C 19.3 0.3 1 493 50 58 THR N N 119.8 0.3 1 494 51 59 PRO HA H 4.41 0.02 1 495 51 59 PRO HB2 H 2.30 0.02 2 496 51 59 PRO HB3 H 1.76 0.02 2 497 51 59 PRO HG2 H 1.89 0.02 2 498 51 59 PRO HG3 H 1.75 0.02 2 499 51 59 PRO HD2 H 3.73 0.02 2 500 51 59 PRO HD3 H 3.58 0.02 2 501 51 59 PRO C C 177.3 0.3 1 502 51 59 PRO CA C 62.6 0.3 1 503 51 59 PRO CB C 33.0 0.3 1 504 51 59 PRO CG C 27.2 0.3 1 505 51 59 PRO CD C 52.1 0.3 1 506 52 60 VAL H H 8.33 0.02 1 507 52 60 VAL HA H 3.42 0.02 1 508 52 60 VAL HB H 1.79 0.02 1 509 52 60 VAL HG1 H 1.03 0.02 1 510 52 60 VAL HG2 H 0.49 0.02 1 511 52 60 VAL C C 176.5 0.3 1 512 52 60 VAL CA C 64.4 0.3 1 513 52 60 VAL CB C 31.6 0.3 1 514 52 60 VAL CG1 C 22.5 0.3 1 515 52 60 VAL CG2 C 20.8 0.3 1 516 52 60 VAL N N 119.6 0.3 1 517 53 61 GLY H H 9.09 0.02 1 518 53 61 GLY HA2 H 4.44 0.02 2 519 53 61 GLY HA3 H 3.76 0.02 2 520 53 61 GLY C C 172.9 0.3 1 521 53 61 GLY CA C 44.7 0.3 1 522 53 61 GLY N N 113.1 0.3 1 523 54 62 THR H H 7.49 0.02 1 524 54 62 THR HA H 4.64 0.02 1 525 54 62 THR HB H 4.26 0.02 1 526 54 62 THR HG2 H 0.94 0.02 1 527 54 62 THR C C 170.9 0.3 1 528 54 62 THR CA C 59.6 0.3 1 529 54 62 THR CB C 72.8 0.3 1 530 54 62 THR CG2 C 21.2 0.3 1 531 54 62 THR N N 107.3 0.3 1 532 55 63 ALA H H 8.10 0.02 1 533 55 63 ALA HA H 5.68 0.02 1 534 55 63 ALA HB H 0.98 0.02 1 535 55 63 ALA C C 176.0 0.3 1 536 55 63 ALA CA C 49.9 0.3 1 537 55 63 ALA CB C 22.4 0.3 1 538 55 63 ALA N N 116.7 0.3 1 539 56 64 LYS H H 8.87 0.02 1 540 56 64 LYS HA H 4.55 0.02 1 541 56 64 LYS HB2 H 1.69 0.02 2 542 56 64 LYS HB3 H 1.60 0.02 2 543 56 64 LYS HG2 H 1.17 0.02 2 544 56 64 LYS HG3 H 1.15 0.02 2 545 56 64 LYS HD2 H 1.56 0.02 2 546 56 64 LYS HD3 H 1.53 0.02 2 547 56 64 LYS HE2 H 2.95 0.02 2 548 56 64 LYS HE3 H 2.93 0.02 2 549 56 64 LYS C C 174.6 0.3 1 550 56 64 LYS CA C 55.4 0.3 1 551 56 64 LYS CB C 36.2 0.3 1 552 56 64 LYS CG C 24.8 0.3 1 553 56 64 LYS CD C 28.9 0.3 1 554 56 64 LYS CE C 42.2 0.3 1 555 56 64 LYS N N 122.5 0.3 1 556 57 65 THR H H 8.77 0.02 1 557 57 65 THR HA H 5.02 0.02 1 558 57 65 THR HB H 3.66 0.02 1 559 57 65 THR HG2 H 0.86 0.02 1 560 57 65 THR C C 175.4 0.3 1 561 57 65 THR CA C 63.1 0.3 1 562 57 65 THR CB C 68.0 0.3 1 563 57 65 THR CG2 C 22.9 0.3 1 564 57 65 THR N N 127.3 0.3 1 565 58 66 VAL H H 9.40 0.02 1 566 58 66 VAL HA H 4.14 0.02 1 567 58 66 VAL HB H 2.16 0.02 1 568 58 66 VAL HG1 H 1.07 0.02 1 569 58 66 VAL HG2 H 0.84 0.02 1 570 58 66 VAL C C 174.6 0.3 1 571 58 66 VAL CA C 61.9 0.3 1 572 58 66 VAL CB C 35.1 0.3 1 573 58 66 VAL CG1 C 21.9 0.3 1 574 58 66 VAL CG2 C 20.3 0.3 1 575 58 66 VAL N N 130.0 0.3 1 576 59 67 MET H H 8.44 0.02 1 577 59 67 MET HA H 4.54 0.02 1 578 59 67 MET HB2 H 1.94 0.02 2 579 59 67 MET HB3 H 1.92 0.02 2 580 59 67 MET HG2 H 2.60 0.02 2 581 59 67 MET HG3 H 2.45 0.02 2 582 59 67 MET C C 176.6 0.3 1 583 59 67 MET CA C 53.8 0.3 1 584 59 67 MET CB C 30.5 0.3 1 585 59 67 MET CG C 33.6 0.3 1 586 59 67 MET N N 123.9 0.3 1 587 60 68 CYS H H 9.12 0.02 1 588 60 68 CYS HA H 4.68 0.02 1 589 60 68 CYS HB2 H 3.32 0.02 2 590 60 68 CYS HB3 H 2.81 0.02 2 591 60 68 CYS C C 175.8 0.3 1 592 60 68 CYS CA C 57.8 0.3 1 593 60 68 CYS CB C 26.4 0.3 1 594 60 68 CYS N N 125.2 0.3 1 595 64 72 PRO HA H 4.25 0.02 1 596 64 72 PRO HB2 H 1.94 0.02 2 597 64 72 PRO HB3 H 1.92 0.02 2 598 64 72 PRO C C 174.3 0.3 1 599 64 72 PRO CA C 60.6 0.3 1 600 64 72 PRO CB C 32.5 0.3 1 601 64 72 PRO CG C 28.6 0.3 1 602 64 72 PRO CD C 50.6 0.3 1 603 65 73 VAL H H 7.52 0.02 1 604 65 73 VAL HA H 4.03 0.02 1 605 65 73 VAL HB H 1.90 0.02 1 606 65 73 VAL HG1 H 1.55 0.02 1 607 65 73 VAL HG2 H 1.41 0.02 1 608 65 73 VAL C C 174.3 0.3 1 609 65 73 VAL CA C 60.6 0.3 1 610 65 73 VAL CB C 32.2 0.3 1 611 65 73 VAL CG1 C 25.4 0.3 1 612 65 73 VAL CG2 C 24.4 0.3 1 613 65 73 VAL N N 123.9 0.3 1 614 66 74 ILE H H 9.04 0.02 1 615 66 74 ILE HA H 3.99 0.02 1 616 66 74 ILE HB H 1.79 0.02 1 617 66 74 ILE HG12 H 1.24 0.02 2 618 66 74 ILE HG13 H 1.14 0.02 2 619 66 74 ILE HG2 H 0.63 0.02 1 620 66 74 ILE HD1 H 0.57 0.02 1 621 66 74 ILE C C 175.3 0.3 1 622 66 74 ILE CA C 60.4 0.3 1 623 66 74 ILE CB C 38.3 0.3 1 624 66 74 ILE CG1 C 25.3 0.3 1 625 66 74 ILE CG2 C 17.8 0.3 1 626 66 74 ILE CD1 C 14.8 0.3 1 627 66 74 ILE N N 126.2 0.3 1 628 67 75 HIS H H 9.00 0.02 1 629 67 75 HIS HA H 4.30 0.02 1 630 67 75 HIS HB2 H 3.36 0.02 2 631 67 75 HIS HB3 H 2.50 0.02 2 632 67 75 HIS C C 173.2 0.3 1 633 67 75 HIS CA C 56.8 0.3 1 634 67 75 HIS CB C 29.8 0.3 1 635 67 75 HIS N N 128.8 0.3 1 636 68 76 ALA H H 8.52 0.02 1 637 68 76 ALA HA H 4.95 0.02 1 638 68 76 ALA HB H 1.04 0.02 1 639 68 76 ALA C C 175.9 0.3 1 640 68 76 ALA CA C 50.2 0.3 1 641 68 76 ALA CB C 22.5 0.3 1 642 68 76 ALA N N 127.8 0.3 1 643 69 77 VAL H H 8.23 0.02 1 644 69 77 VAL HA H 4.19 0.02 1 645 69 77 VAL HB H 2.11 0.02 1 646 69 77 VAL HG1 H 0.81 0.02 1 647 69 77 VAL HG2 H 0.51 0.02 1 648 69 77 VAL C C 176.0 0.3 1 649 69 77 VAL CA C 61.1 0.3 1 650 69 77 VAL CB C 29.9 0.3 1 651 69 77 VAL CG1 C 23.4 0.3 1 652 69 77 VAL CG2 C 22.7 0.3 1 653 69 77 VAL N N 125.3 0.3 1 654 70 78 GLY H H 8.74 0.02 1 655 70 78 GLY HA2 H 4.11 0.02 2 656 70 78 GLY HA3 H 3.40 0.02 2 657 70 78 GLY CA C 42.6 0.3 1 658 70 78 GLY N N 113.4 0.3 1 659 72 80 ASN HA H 4.75 0.02 1 660 72 80 ASN HB2 H 3.13 0.02 2 661 72 80 ASN HB3 H 1.74 0.02 2 662 72 80 ASN C C 177.7 0.3 1 663 72 80 ASN CA C 51.3 0.3 1 664 72 80 ASN CB C 37.6 0.3 1 665 73 81 PHE H H 9.29 0.02 1 666 73 81 PHE HA H 4.16 0.02 1 667 73 81 PHE HB2 H 3.38 0.02 2 668 73 81 PHE HB3 H 2.77 0.02 2 669 73 81 PHE C C 176.0 0.3 1 670 73 81 PHE CA C 62.9 0.3 1 671 73 81 PHE CB C 38.3 0.3 1 672 73 81 PHE N N 125.0 0.3 1 673 74 82 SER H H 8.39 0.02 1 674 74 82 SER HA H 4.49 0.02 1 675 74 82 SER HB2 H 3.89 0.02 2 676 74 82 SER HB3 H 3.69 0.02 2 677 74 82 SER CA C 61.9 0.3 1 678 74 82 SER CB C 62.7 0.3 1 679 74 82 SER N N 114.3 0.3 1 680 75 83 ASN H H 8.19 0.02 1 681 75 83 ASN HA H 4.78 0.02 1 682 75 83 ASN HB2 H 2.80 0.02 2 683 75 83 ASN HB3 H 2.63 0.02 2 684 75 83 ASN C C 173.5 0.3 1 685 75 83 ASN CA C 52.9 0.3 1 686 75 83 ASN CB C 40.2 0.3 1 687 75 83 ASN N N 116.3 0.3 1 688 76 84 TYR H H 7.45 0.02 1 689 76 84 TYR HA H 4.55 0.02 1 690 76 84 TYR HB2 H 2.92 0.02 2 691 76 84 TYR HB3 H 2.16 0.02 2 692 76 84 TYR C C 175.2 0.3 1 693 76 84 TYR CA C 57.7 0.3 1 694 76 84 TYR CB C 42.7 0.3 1 695 76 84 TYR N N 118.9 0.3 1 696 77 85 SER H H 8.60 0.02 1 697 77 85 SER HA H 4.60 0.02 1 698 77 85 SER HB2 H 4.37 0.02 2 699 77 85 SER HB3 H 4.07 0.02 2 700 77 85 SER C C 175.7 0.3 1 701 77 85 SER CA C 57.2 0.3 1 702 77 85 SER CB C 64.4 0.3 1 703 77 85 SER N N 115.3 0.3 1 704 78 86 GLU H H 9.11 0.02 1 705 78 86 GLU HA H 4.26 0.02 1 706 78 86 GLU HB2 H 2.24 0.02 2 707 78 86 GLU HB3 H 2.11 0.02 2 708 78 86 GLU HG2 H 2.53 0.02 2 709 78 86 GLU HG3 H 2.50 0.02 2 710 78 86 GLU C C 180.3 0.3 1 711 78 86 GLU CA C 60.0 0.3 1 712 78 86 GLU CB C 28.8 0.3 1 713 78 86 GLU CG C 36.2 0.3 1 714 78 86 GLU N N 121.2 0.3 1 715 79 87 SER H H 7.21 0.02 1 716 79 87 SER HA H 4.36 0.02 1 717 79 87 SER HB2 H 3.95 0.02 2 718 79 87 SER HB3 H 3.92 0.02 2 719 79 87 SER C C 177.4 0.3 1 720 79 87 SER CA C 61.4 0.3 1 721 79 87 SER CB C 62.3 0.3 1 722 80 88 GLU H H 7.88 0.02 1 723 80 88 GLU HA H 4.12 0.02 1 724 80 88 GLU HB2 H 2.20 0.02 2 725 80 88 GLU HB3 H 2.18 0.02 2 726 80 88 GLU HG2 H 2.45 0.02 2 727 80 88 GLU HG3 H 2.32 0.02 2 728 80 88 GLU C C 178.9 0.3 1 729 80 88 GLU CA C 59.2 0.3 1 730 80 88 GLU CB C 29.9 0.3 1 731 80 88 GLU CG C 36.8 0.3 1 732 80 88 GLU N N 122.9 0.3 1 733 81 89 GLY H H 9.09 0.02 1 734 81 89 GLY HA2 H 3.30 0.02 2 735 81 89 GLY HA3 H 2.87 0.02 2 736 81 89 GLY C C 174.9 0.3 1 737 81 89 GLY CA C 46.6 0.3 1 738 81 89 GLY N N 106.1 0.3 1 739 82 90 ASP H H 8.19 0.02 1 740 82 90 ASP HA H 4.48 0.02 1 741 82 90 ASP HB2 H 2.95 0.02 2 742 82 90 ASP HB3 H 2.82 0.02 2 743 82 90 ASP C C 177.1 0.3 1 744 82 90 ASP CA C 59.4 0.3 1 745 82 90 ASP CB C 42.6 0.3 1 746 82 90 ASP N N 120.7 0.3 1 747 83 91 ARG H H 7.23 0.02 1 748 83 91 ARG HA H 4.04 0.02 1 749 83 91 ARG HB2 H 2.03 0.02 2 750 83 91 ARG HB3 H 2.01 0.02 2 751 83 91 ARG HG2 H 1.59 0.02 2 752 83 91 ARG HG3 H 1.56 0.02 2 753 83 91 ARG HD2 H 3.26 0.02 2 754 83 91 ARG HD3 H 3.24 0.02 2 755 83 91 ARG C C 179.8 0.3 1 756 83 91 ARG CA C 59.3 0.3 1 757 83 91 ARG CB C 30.0 0.3 1 758 83 91 ARG CG C 27.5 0.3 1 759 83 91 ARG CD C 43.4 0.3 1 760 83 91 ARG N N 115.9 0.3 1 761 84 92 GLU H H 7.81 0.02 1 762 84 92 GLU HA H 4.65 0.02 1 763 84 92 GLU HB2 H 1.61 0.02 2 764 84 92 GLU HB3 H 1.61 0.02 2 765 84 92 GLU HG2 H 2.35 0.02 2 766 84 92 GLU HG3 H 2.32 0.02 2 767 84 92 GLU C C 178.2 0.3 1 768 84 92 GLU CA C 57.3 0.3 1 769 84 92 GLU CB C 28.7 0.3 1 770 84 92 GLU CG C 33.7 0.3 1 771 84 92 GLU N N 118.3 0.3 1 772 85 93 LEU H H 8.29 0.02 1 773 85 93 LEU HA H 3.91 0.02 1 774 85 93 LEU HB2 H 2.22 0.02 2 775 85 93 LEU HB3 H 2.19 0.02 2 776 85 93 LEU HG H 1.86 0.02 1 777 85 93 LEU C C 177.0 0.3 1 778 85 93 LEU CA C 57.4 0.3 1 779 85 93 LEU CB C 42.0 0.3 1 780 85 93 LEU CG C 27.6 0.3 1 781 85 93 LEU CD1 C 22.5 0.3 1 782 85 93 LEU CD2 C 22.2 0.3 1 783 85 93 LEU N N 121.9 0.3 1 784 86 94 ALA H H 7.55 0.02 1 785 86 94 ALA HA H 3.69 0.02 1 786 86 94 ALA HB H 1.02 0.02 1 787 86 94 ALA C C 180.7 0.3 1 788 86 94 ALA CA C 55.6 0.3 1 789 86 94 ALA CB C 17.7 0.3 1 790 86 94 ALA N N 119.6 0.3 1 791 87 95 ALA H H 7.79 0.02 1 792 87 95 ALA HA H 3.89 0.02 1 793 87 95 ALA HB H 1.59 0.02 1 794 87 95 ALA C C 178.7 0.3 1 795 87 95 ALA CA C 55.4 0.3 1 796 87 95 ALA CB C 18.2 0.3 1 797 87 95 ALA N N 119.8 0.3 1 798 88 96 ALA H H 8.10 0.02 1 799 88 96 ALA HA H 3.47 0.02 1 800 88 96 ALA HB H 1.05 0.02 1 801 88 96 ALA C C 179.9 0.3 1 802 88 96 ALA CA C 55.4 0.3 1 803 88 96 ALA CB C 16.9 0.3 1 804 88 96 ALA N N 120.2 0.3 1 805 89 97 TYR H H 7.39 0.02 1 806 89 97 TYR HA H 4.06 0.02 1 807 89 97 TYR HB2 H 2.91 0.02 2 808 89 97 TYR HB3 H 2.63 0.02 2 809 89 97 TYR C C 178.1 0.3 1 810 89 97 TYR CA C 63.0 0.3 1 811 89 97 TYR CB C 38.7 0.3 1 812 89 97 TYR N N 112.4 0.3 1 813 90 98 ARG H H 8.16 0.02 1 814 90 98 ARG HA H 3.97 0.02 1 815 90 98 ARG HB2 H 2.15 0.02 2 816 90 98 ARG HB3 H 2.02 0.02 2 817 90 98 ARG HG2 H 1.94 0.02 2 818 90 98 ARG HG3 H 1.47 0.02 2 819 90 98 ARG HD2 H 3.35 0.02 2 820 90 98 ARG HD3 H 3.23 0.02 2 821 90 98 ARG C C 179.6 0.3 1 822 90 98 ARG CA C 60.4 0.3 1 823 90 98 ARG CB C 29.8 0.3 1 824 90 98 ARG CG C 27.8 0.3 1 825 90 98 ARG CD C 43.5 0.3 1 826 90 98 ARG N N 120.2 0.3 1 827 91 99 GLU H H 8.39 0.02 1 828 91 99 GLU HA H 4.04 0.02 1 829 91 99 GLU HB2 H 2.17 0.02 2 830 91 99 GLU HB3 H 1.96 0.02 2 831 91 99 GLU HG2 H 2.44 0.02 2 832 91 99 GLU HG3 H 2.20 0.02 2 833 91 99 GLU C C 179.1 0.3 1 834 91 99 GLU CA C 59.5 0.3 1 835 91 99 GLU CB C 28.8 0.3 1 836 91 99 GLU CG C 36.94 0.3 1 837 91 99 GLU N N 119.4 0.3 1 838 92 100 VAL H H 8.02 0.02 1 839 92 100 VAL HA H 3.23 0.02 1 840 92 100 VAL HB H 2.59 0.02 1 841 92 100 VAL HG1 H 0.93 0.02 1 842 92 100 VAL HG2 H 0.91 0.02 1 843 92 100 VAL C C 177.1 0.3 1 844 92 100 VAL CA C 67.5 0.3 1 845 92 100 VAL CB C 31.0 0.3 1 846 92 100 VAL CG1 C 25.2 0.3 1 847 92 100 VAL CG2 C 22.8 0.3 1 848 92 100 VAL N N 121.5 0.3 1 849 93 101 ALA H H 8.19 0.02 1 850 93 101 ALA HA H 3.69 0.02 1 851 93 101 ALA HB H 1.42 0.02 1 852 93 101 ALA C C 179.4 0.3 1 853 93 101 ALA CA C 55.9 0.3 1 854 93 101 ALA CB C 18.7 0.3 1 855 93 101 ALA N N 121.4 0.3 1 856 94 102 LYS H H 7.85 0.02 1 857 94 102 LYS HA H 3.92 0.02 1 858 94 102 LYS HB2 H 1.97 0.02 2 859 94 102 LYS HB3 H 1.93 0.02 2 860 94 102 LYS HG2 H 1.54 0.02 2 861 94 102 LYS HG3 H 1.42 0.02 2 862 94 102 LYS HD2 H 1.73 0.02 2 863 94 102 LYS HD3 H 1.72 0.02 2 864 94 102 LYS HE2 H 2.98 0.02 2 865 94 102 LYS HE3 H 2.93 0.02 2 866 94 102 LYS C C 179.9 0.3 1 867 94 102 LYS CA C 59.9 0.3 1 868 94 102 LYS CB C 32.7 0.3 1 869 94 102 LYS CG C 24.9 0.3 1 870 94 102 LYS CD C 29.5 0.3 1 871 94 102 LYS CE C 41.9 0.3 1 872 94 102 LYS N N 117.6 0.3 1 873 95 103 GLU H H 7.90 0.02 1 874 95 103 GLU HA H 4.26 0.02 1 875 95 103 GLU HB2 H 2.21 0.02 2 876 95 103 GLU HB3 H 2.18 0.02 2 877 95 103 GLU HG2 H 2.33 0.02 2 878 95 103 GLU HG3 H 2.31 0.02 2 879 95 103 GLU C C 177.7 0.3 1 880 95 103 GLU CA C 58.4 0.3 1 881 95 103 GLU CB C 30.1 0.3 1 882 95 103 GLU CG C 36.5 0.3 1 883 95 103 GLU N N 120.7 0.3 1 884 96 104 VAL H H 8.77 0.02 1 885 96 104 VAL HA H 3.30 0.02 1 886 96 104 VAL HB H 2.17 0.02 1 887 96 104 VAL HG1 H 0.81 0.02 1 888 96 104 VAL HG2 H 0.66 0.02 1 889 96 104 VAL C C 179.2 0.3 1 890 96 104 VAL CA C 67.2 0.3 1 891 96 104 VAL CB C 31.7 0.3 1 892 96 104 VAL CG1 C 24.1 0.3 1 893 96 104 VAL CG2 C 20.3 0.3 1 894 96 104 VAL N N 120.5 0.3 1 895 97 105 THR H H 8.19 0.02 1 896 97 105 THR HA H 3.85 0.02 1 897 97 105 THR HB H 4.17 0.02 1 898 97 105 THR HG2 H 1.21 0.02 1 899 97 105 THR C C 176.3 0.3 1 900 97 105 THR CA C 67.0 0.3 1 901 97 105 THR CB C 68.6 0.3 1 902 97 105 THR CG2 C 21.6 0.3 1 903 97 105 THR N N 116.6 0.3 1 904 98 106 ARG H H 8.26 0.02 1 905 98 106 ARG HA H 3.93 0.02 1 906 98 106 ARG HB2 H 1.73 0.02 2 907 98 106 ARG HB3 H 1.71 0.02 2 908 98 106 ARG HG2 H 1.54 0.02 2 909 98 106 ARG HG3 H 1.42 0.02 2 910 98 106 ARG HD2 H 2.98 0.02 2 911 98 106 ARG HD3 H 2.90 0.02 2 912 98 106 ARG C C 178.8 0.3 1 913 98 106 ARG CA C 59.6 0.3 1 914 98 106 ARG CB C 30.3 0.3 1 915 98 106 ARG CG C 24.9 0.3 1 916 98 106 ARG CD C 42.0 0.3 1 917 98 106 ARG N N 124.2 0.3 1 918 99 107 LEU H H 8.53 0.02 1 919 99 107 LEU HA H 3.97 0.02 1 920 99 107 LEU HB2 H 1.85 0.02 2 921 99 107 LEU HB3 H 1.41 0.02 2 922 99 107 LEU HG H 0.69 0.02 1 923 99 107 LEU HD1 H 0.82 0.02 1 924 99 107 LEU HD2 H 0.79 0.02 1 925 99 107 LEU C C 178.8 0.3 1 926 99 107 LEU CA C 56.3 0.3 1 927 99 107 LEU CB C 44.9 0.3 1 928 99 107 LEU CG C 25.6 0.3 1 929 99 107 LEU CD1 C 22.4 0.3 1 930 99 107 LEU CD2 C 22.1 0.3 1 931 99 107 LEU N N 116.9 0.3 1 932 100 108 GLY H H 7.70 0.02 1 933 100 108 GLY HA2 H 3.91 0.02 2 934 100 108 GLY HA3 H 3.81 0.02 2 935 100 108 GLY C C 174.6 0.3 1 936 100 108 GLY CA C 46.4 0.3 1 937 100 108 GLY N N 105.6 0.3 1 938 101 109 VAL H H 6.43 0.02 1 939 101 109 VAL HA H 4.26 0.02 1 940 101 109 VAL HB H 2.45 0.02 1 941 101 109 VAL HG1 H 0.96 0.02 1 942 101 109 VAL HG2 H 0.85 0.02 1 943 101 109 VAL C C 175.8 0.3 1 944 101 109 VAL CA C 60.5 0.3 1 945 101 109 VAL CB C 32.4 0.3 1 946 101 109 VAL CG1 C 22.4 0.3 1 947 101 109 VAL CG2 C 18.5 0.3 1 948 101 109 VAL N N 108.0 0.3 1 949 102 110 ASN H H 9.31 0.02 1 950 102 110 ASN HA H 4.75 0.02 1 951 102 110 ASN HB2 H 2.80 0.02 2 952 102 110 ASN HB3 H 2.77 0.02 2 953 102 110 ASN C C 175.2 0.3 1 954 102 110 ASN CA C 53.9 0.3 1 955 102 110 ASN CB C 40.0 0.3 1 956 102 110 ASN N N 117.2 0.3 1 957 103 111 SER H H 7.32 0.02 1 958 103 111 SER HA H 5.60 0.02 1 959 103 111 SER HB2 H 4.19 0.02 2 960 103 111 SER HB3 H 3.84 0.02 2 961 103 111 SER C C 171.8 0.3 1 962 103 111 SER CA C 56.1 0.3 1 963 103 111 SER CB C 66.1 0.3 1 964 103 111 SER N N 110.7 0.3 1 965 104 112 VAL H H 8.35 0.02 1 966 104 112 VAL HA H 4.57 0.02 1 967 104 112 VAL HB H 1.63 0.02 1 968 104 112 VAL HG1 H 0.65 0.02 1 969 104 112 VAL HG2 H 0.78 0.02 1 970 104 112 VAL C C 170.8 0.3 1 971 104 112 VAL CA C 59.4 0.3 1 972 104 112 VAL CB C 35.1 0.3 1 973 104 112 VAL CG1 C 22.7 0.3 1 974 104 112 VAL CG2 C 19.7 0.3 1 975 104 112 VAL N N 115.9 0.3 1 976 105 113 ALA H H 8.20 0.02 1 977 105 113 ALA HA H 5.76 0.02 1 978 105 113 ALA HB H 1.62 0.02 1 979 105 113 ALA C C 175.6 0.3 1 980 105 113 ALA CA C 50.4 0.3 1 981 105 113 ALA CB C 21.2 0.3 1 982 105 113 ALA N N 132.0 0.3 1 983 106 114 ILE H H 9.63 0.02 1 984 106 114 ILE HA H 5.34 0.02 1 985 106 114 ILE HB H 1.61 0.02 1 986 106 114 ILE HG12 H 1.97 0.02 2 987 106 114 ILE HG13 H 1.92 0.02 2 988 106 114 ILE HG2 H 1.06 0.02 1 989 106 114 ILE HD1 H 1.04 0.02 1 990 106 114 ILE C C 171.5 0.3 1 991 106 114 ILE CA C 56.9 0.3 1 992 106 114 ILE CB C 45.4 0.3 1 993 106 114 ILE CG1 C 27.3 0.3 1 994 106 114 ILE CG2 C 16.1 0.3 1 995 106 114 ILE CD1 C 15.4 0.3 1 996 106 114 ILE N N 123.5 0.3 1 997 107 115 PRO HA H 5.52 0.02 1 998 107 115 PRO HB2 H 2.26 0.02 2 999 107 115 PRO HB3 H 2.17 0.02 2 1000 107 115 PRO HG2 H 2.15 0.02 2 1001 107 115 PRO HG3 H 1.74 0.02 2 1002 107 115 PRO HD2 H 4.19 0.02 2 1003 107 115 PRO HD3 H 3.61 0.02 2 1004 107 115 PRO C C 173.6 0.3 1 1005 107 115 PRO CA C 60.9 0.3 1 1006 107 115 PRO CB C 32.1 0.3 1 1007 107 115 PRO CG C 25.7 0.3 1 1008 107 115 PRO CD C 50.6 0.3 1 1009 108 116 LEU H H 8.55 0.02 1 1010 108 116 LEU HA H 4.75 0.02 1 1011 108 116 LEU HB2 H 2.07 0.02 2 1012 108 116 LEU HB3 H 1.26 0.02 2 1013 108 116 LEU HG H 0.92 0.02 1 1014 108 116 LEU HD1 H 0.78 0.02 1 1015 108 116 LEU HD2 H 0.77 0.02 1 1016 108 116 LEU C C 178.5 0.3 1 1017 108 116 LEU CA C 54.2 0.3 1 1018 108 116 LEU CB C 41.0 0.3 1 1019 108 116 LEU CG C 27.1 0.3 1 1020 108 116 LEU CD1 C 24.3 0.3 1 1021 108 116 LEU CD2 C 23.9 0.3 1 1022 108 116 LEU N N 113.2 0.3 1 1023 109 117 LEU H H 8.06 0.02 1 1024 109 117 LEU HA H 4.34 0.02 1 1025 109 117 LEU HG H 1.16 0.02 1 1026 109 117 LEU HD1 H 0.92 0.02 1 1027 109 117 LEU HD2 H 0.66 0.02 1 1028 109 117 LEU C C 177.3 0.3 1 1029 109 117 LEU CA C 54.5 0.3 1 1030 109 117 LEU CB C 41.9 0.3 1 1031 109 117 LEU CG C 29.3 0.3 1 1032 109 117 LEU CD1 C 25.2 0.3 1 1033 109 117 LEU CD2 C 24.7 0.3 1 1034 109 117 LEU N N 125.8 0.3 1 1035 110 118 SER H H 10.05 0.02 1 1036 110 118 SER HA H 4.02 0.02 1 1037 110 118 SER CA C 62.5 0.3 1 1038 110 118 SER CB C 60.2 0.3 1 1039 110 118 SER N N 112.2 0.3 1 1040 111 119 THR H H 7.11 0.02 1 1041 111 119 THR HA H 4.84 0.02 1 1042 111 119 THR HB H 4.90 0.02 1 1043 111 119 THR HG2 H 1.27 0.02 1 1044 111 119 THR C C 176.4 0.3 1 1045 111 119 THR CA C 60.0 0.3 1 1046 111 119 THR CB C 70.8 0.3 1 1047 111 119 THR CG2 C 21.5 0.3 1 1048 111 119 THR N N 101.3 0.3 1 1049 113 121 VAL H H 8.20 0.02 1 1050 113 121 VAL HA H 4.20 0.02 1 1051 113 121 VAL HB H 2.36 0.02 1 1052 113 121 VAL HG1 H 1.03 0.02 1 1053 113 121 VAL HG2 H 0.91 0.02 1 1054 113 121 VAL C C 177.1 0.3 1 1055 113 121 VAL CA C 64.5 0.3 1 1056 113 121 VAL CB C 30.8 0.3 1 1057 113 121 VAL CG1 C 20.8 0.3 1 1058 113 121 VAL CG2 C 19.3 0.3 1 1059 114 122 TYR H H 7.81 0.02 1 1060 114 122 TYR HA H 5.14 0.02 1 1061 114 122 TYR HB2 H 4.07 0.02 2 1062 114 122 TYR HB3 H 3.10 0.02 2 1063 114 122 TYR C C 176.4 0.3 1 1064 114 122 TYR CA C 55.5 0.3 1 1065 114 122 TYR CB C 38.1 0.3 1 1066 114 122 TYR N N 120.5 0.3 1 1067 115 123 SER H H 8.20 0.02 1 1068 115 123 SER HA H 4.54 0.02 1 1069 115 123 SER C C 178.1 0.3 1 1070 115 123 SER CA C 61.2 0.3 1 1071 115 123 SER CB C 65.5 0.3 1 1072 115 123 SER N N 114.4 0.3 1 1073 116 124 GLY H H 9.24 0.02 1 1074 116 124 GLY HA2 H 4.17 0.02 2 1075 116 124 GLY HA3 H 3.91 0.02 2 1076 116 124 GLY C C 174.7 0.3 1 1077 116 124 GLY CA C 46.3 0.3 1 1078 116 124 GLY N N 114.0 0.3 1 1079 117 125 GLY H H 8.36 0.02 1 1080 117 125 GLY HA2 H 4.14 0.02 2 1081 117 125 GLY HA3 H 3.72 0.02 2 1082 117 125 GLY C C 173.4 0.3 1 1083 117 125 GLY CA C 45.3 0.3 1 1084 117 125 GLY N N 107.0 0.3 1 1085 118 126 LYS H H 6.88 0.02 1 1086 118 126 LYS HA H 4.60 0.02 1 1087 118 126 LYS HB2 H 1.68 0.02 2 1088 118 126 LYS HB3 H 1.46 0.02 2 1089 118 126 LYS HG2 H 1.36 0.02 2 1090 118 126 LYS HG3 H 1.30 0.02 2 1091 118 126 LYS HD2 H 1.61 0.02 2 1092 118 126 LYS HD3 H 1.60 0.02 2 1093 118 126 LYS HE2 H 2.96 0.02 2 1094 118 126 LYS HE3 H 2.95 0.02 2 1095 118 126 LYS C C 174.8 0.3 1 1096 118 126 LYS CA C 54.2 0.3 1 1097 118 126 LYS CB C 35.4 0.3 1 1098 118 126 LYS CG C 24.9 0.3 1 1099 118 126 LYS CD C 28.8 0.3 1 1100 118 126 LYS CE C 42.1 0.3 1 1101 118 126 LYS N N 118.4 0.3 1 1102 119 127 ASP H H 8.49 0.02 1 1103 119 127 ASP HA H 4.57 0.02 1 1104 119 127 ASP HB2 H 2.90 0.02 2 1105 119 127 ASP HB3 H 2.70 0.02 2 1106 119 127 ASP C C 175.5 0.3 1 1107 119 127 ASP CA C 54.4 0.3 1 1108 119 127 ASP CB C 41.0 0.3 1 1109 119 127 ASP N N 121.7 0.3 1 1110 120 128 ARG HA H 4.36 0.02 1 1111 120 128 ARG HB2 H 1.60 0.02 2 1112 120 128 ARG HB3 H 1.55 0.02 2 1113 120 128 ARG HG2 H 1.35 0.02 2 1114 120 128 ARG HG3 H 1.29 0.02 2 1115 120 128 ARG HD2 H 2.96 0.02 2 1116 120 128 ARG HD3 H 2.94 0.02 2 1117 120 128 ARG C C 175.5 0.3 1 1118 120 128 ARG CA C 54.1 0.3 1 1119 120 128 ARG CB C 30.1 0.3 1 1120 120 128 ARG CG C 25.0 0.3 1 1121 120 128 ARG CD C 41.9 0.3 1 1122 121 129 LEU H H 7.91 0.02 1 1123 121 129 LEU HA H 3.26 0.02 1 1124 121 129 LEU HB2 H 1.26 0.02 2 1125 121 129 LEU HB3 H 0.55 0.02 2 1126 121 129 LEU HG H 0.76 0.02 1 1127 121 129 LEU HD1 H 0.22 0.02 1 1128 121 129 LEU HD2 H -0.10 0.02 1 1129 121 129 LEU C C 177.4 0.3 1 1130 121 129 LEU CA C 60.7 0.3 1 1131 121 129 LEU CB C 40.5 0.3 1 1132 121 129 LEU CG C 27.1 0.3 1 1133 121 129 LEU CD1 C 24.9 0.3 1 1134 121 129 LEU CD2 C 23.9 0.3 1 1135 121 129 LEU N N 122.6 0.3 1 1136 122 130 THR H H 8.36 0.02 1 1137 122 130 THR HA H 3.44 0.02 1 1138 122 130 THR HB H 3.88 0.02 1 1139 122 130 THR HG2 H 1.07 0.02 1 1140 122 130 THR CA C 67.0 0.3 1 1141 122 130 THR CB C 68.0 0.3 1 1142 122 130 THR CG2 C 21.9 0.3 1 1143 122 130 THR N N 114.0 0.3 1 1144 123 131 GLN H H 7.88 0.02 1 1145 123 131 GLN HA H 3.83 0.02 1 1146 123 131 GLN C C 177.7 0.3 1 1147 123 131 GLN CA C 58.0 0.3 1 1148 123 131 GLN CB C 28.4 0.3 1 1149 123 131 GLN CG C 32.0 0.3 1 1150 123 131 GLN N N 121.9 0.3 1 1151 124 132 SER H H 8.68 0.02 1 1152 124 132 SER HA H 4.28 0.02 1 1153 124 132 SER HB2 H 4.03 0.02 2 1154 124 132 SER HB3 H 4.00 0.02 2 1155 124 132 SER C C 176.3 0.3 1 1156 124 132 SER CA C 61.8 0.3 1 1157 124 132 SER CB C 64.4 0.3 1 1158 124 132 SER N N 111.3 0.3 1 1159 125 133 LEU H H 8.81 0.02 1 1160 125 133 LEU HA H 3.57 0.02 1 1161 125 133 LEU HB2 H 1.55 0.02 2 1162 125 133 LEU HB3 H 1.24 0.02 2 1163 125 133 LEU HG H 0.60 0.02 1 1164 125 133 LEU HD1 H 0.28 0.02 1 1165 125 133 LEU HD2 H 0.25 0.02 1 1166 125 133 LEU C C 177.1 0.3 1 1167 125 133 LEU CA C 57.0 0.3 1 1168 125 133 LEU CB C 41.8 0.3 1 1169 125 133 LEU CG C 26.7 0.3 1 1170 125 133 LEU CD1 C 24.1 0.3 1 1171 125 133 LEU CD2 C 23.8 0.3 1 1172 125 133 LEU N N 118.8 0.3 1 1173 126 134 ASN H H 8.20 0.02 1 1174 126 134 ASN HA H 4.48 0.02 1 1175 126 134 ASN HB2 H 2.70 0.02 2 1176 126 134 ASN HB3 H 2.54 0.02 2 1177 126 134 ASN C C 179.2 0.3 1 1178 126 134 ASN CA C 56.2 0.3 1 1179 126 134 ASN CB C 37.3 0.3 1 1180 126 134 ASN N N 114.8 0.3 1 1181 127 135 HIS H H 7.10 0.02 1 1182 127 135 HIS HA H 4.75 0.02 1 1183 127 135 HIS HB2 H 3.18 0.02 2 1184 127 135 HIS HB3 H 3.04 0.02 2 1185 127 135 HIS C C 177.2 0.3 1 1186 127 135 HIS CA C 58.5 0.3 1 1187 127 135 HIS CB C 32.0 0.3 1 1188 127 135 HIS N N 118.2 0.3 1 1189 128 136 LEU H H 7.54 0.02 1 1190 128 136 LEU HA H 2.80 0.02 1 1191 128 136 LEU HB2 H 1.25 0.02 2 1192 128 136 LEU HB3 H 1.12 0.02 2 1193 128 136 LEU HG H 0.87 0.02 1 1194 128 136 LEU HD1 H 0.71 0.02 1 1195 128 136 LEU HD2 H 0.27 0.02 1 1196 128 136 LEU C C 179.0 0.3 1 1197 128 136 LEU CA C 60.3 0.3 1 1198 128 136 LEU CB C 40.9 0.3 1 1199 128 136 LEU CG C 28.1 0.3 1 1200 128 136 LEU CD1 C 25.1 0.3 1 1201 128 136 LEU CD2 C 24.2 0.3 1 1202 128 136 LEU N N 126.2 0.3 1 1203 129 137 PHE H H 8.45 0.02 1 1204 129 137 PHE HA H 4.50 0.02 1 1205 129 137 PHE HB2 H 2.94 0.02 2 1206 129 137 PHE HB3 H 2.92 0.02 2 1207 129 137 PHE C C 177.6 0.3 1 1208 129 137 PHE CA C 57.7 0.3 1 1209 129 137 PHE CB C 38.2 0.3 1 1210 129 137 PHE N N 119.2 0.3 1 1211 130 138 THR H H 7.95 0.02 1 1212 130 138 THR HA H 3.82 0.02 1 1213 130 138 THR HB H 4.25 0.02 1 1214 130 138 THR HG2 H 1.29 0.02 1 1215 130 138 THR C C 176.6 0.3 1 1216 130 138 THR CA C 66.6 0.3 1 1217 130 138 THR CB C 68.8 0.3 1 1218 130 138 THR CG2 C 21.8 0.3 1 1219 130 138 THR N N 112.6 0.3 1 1220 131 139 ALA H H 7.60 0.02 1 1221 131 139 ALA HA H 4.26 0.02 1 1222 131 139 ALA HB H 1.48 0.02 1 1223 131 139 ALA C C 179.9 0.3 1 1224 131 139 ALA CA C 54.4 0.3 1 1225 131 139 ALA CB C 19.9 0.3 1 1226 131 139 ALA N N 120.1 0.3 1 1227 132 140 MET H H 9.23 0.02 1 1228 132 140 MET HA H 4.62 0.02 1 1229 132 140 MET HB2 H 2.10 0.02 2 1230 132 140 MET HB3 H 2.06 0.02 2 1231 132 140 MET C C 179.4 0.3 1 1232 132 140 MET CA C 55.4 0.3 1 1233 132 140 MET CB C 28.6 0.3 1 1234 132 140 MET CG C 33.78 0.3 1 1235 132 140 MET N N 114.8 0.3 1 1236 133 141 ASP H H 8.57 0.02 1 1237 133 141 ASP C C 176.7 0.3 1 1238 133 141 ASP CA C 56.4 0.3 1 1239 133 141 ASP CB C 40.5 0.3 1 1240 133 141 ASP N N 121.5 0.3 1 1241 134 142 SER H H 7.51 0.02 1 1242 134 142 SER HA H 4.47 0.02 1 1243 134 142 SER HB2 H 4.01 0.02 2 1244 134 142 SER HB3 H 4.00 0.02 2 1245 134 142 SER C C 173.9 0.3 1 1246 134 142 SER CA C 59.1 0.3 1 1247 134 142 SER CB C 64.0 0.3 1 1248 135 143 THR H H 7.90 0.02 1 1249 135 143 THR HA H 4.58 0.02 1 1250 135 143 THR HB H 4.23 0.02 1 1251 135 143 THR HG2 H 1.20 0.02 1 1252 135 143 THR C C 172.0 0.3 1 1253 135 143 THR CA C 60.8 0.3 1 1254 135 143 THR CB C 71.4 0.3 1 1255 135 143 THR CG2 C 21.5 0.3 1 1256 135 143 THR N N 114.4 0.3 1 1257 136 144 ASP H H 8.20 0.02 1 1258 136 144 ASP HA H 4.80 0.02 1 1259 136 144 ASP HB2 H 2.64 0.02 2 1260 136 144 ASP HB3 H 2.46 0.02 2 1261 136 144 ASP C C 175.6 0.3 1 1262 136 144 ASP CA C 52.4 0.3 1 1263 136 144 ASP CB C 41.5 0.3 1 1264 136 144 ASP N N 116.3 0.3 1 1265 137 145 ALA H H 7.06 0.02 1 1266 137 145 ALA HA H 4.12 0.02 1 1267 137 145 ALA HB H 0.88 0.02 1 1268 137 145 ALA C C 175.2 0.3 1 1269 137 145 ALA CA C 51.4 0.3 1 1270 137 145 ALA CB C 19.7 0.3 1 1271 137 145 ALA N N 121.3 0.3 1 1272 138 146 ASP H H 7.98 0.02 1 1273 138 146 ASP HA H 4.70 0.02 1 1274 138 146 ASP HB2 H 2.57 0.02 2 1275 138 146 ASP HB3 H 2.47 0.02 2 1276 138 146 ASP C C 174.4 0.3 1 1277 138 146 ASP CA C 54.5 0.3 1 1278 138 146 ASP CB C 40.5 0.3 1 1279 139 147 VAL H H 8.53 0.02 1 1280 139 147 VAL HA H 4.14 0.02 1 1281 139 147 VAL HB H 2.00 0.02 1 1282 139 147 VAL HG1 H 0.95 0.02 1 1283 139 147 VAL HG2 H 0.58 0.02 1 1284 139 147 VAL C C 174.6 0.3 1 1285 139 147 VAL CA C 62.3 0.3 1 1286 139 147 VAL CB C 32.0 0.3 1 1287 139 147 VAL CG1 C 22.4 0.3 1 1288 139 147 VAL CG2 C 20.8 0.3 1 1289 139 147 VAL N N 126.3 0.3 1 1290 140 148 VAL H H 9.14 0.02 1 1291 140 148 VAL HA H 4.46 0.02 1 1292 140 148 VAL HB H 2.26 0.02 1 1293 140 148 VAL HG1 H 0.50 0.02 1 1294 140 148 VAL HG2 H 0.77 0.02 1 1295 140 148 VAL C C 174.0 0.3 1 1296 140 148 VAL CA C 61.4 0.3 1 1297 140 148 VAL CB C 32.0 0.3 1 1298 140 148 VAL CG1 C 21.9 0.3 1 1299 140 148 VAL CG2 C 20.2 0.3 1 1300 140 148 VAL N N 130.0 0.3 1 1301 141 149 ILE H H 9.15 0.02 1 1302 141 149 ILE HA H 5.24 0.02 1 1303 141 149 ILE HB H 1.65 0.02 1 1304 141 149 ILE HG12 H 0.91 0.02 2 1305 141 149 ILE HG13 H 0.87 0.02 2 1306 141 149 ILE HG2 H 0.91 0.02 1 1307 141 149 ILE HD1 H 0.76 0.02 1 1308 141 149 ILE C C 175.8 0.3 1 1309 141 149 ILE CA C 60.1 0.3 1 1310 141 149 ILE CB C 39.9 0.3 1 1311 141 149 ILE CG1 C 28.2 0.3 1 1312 141 149 ILE CG2 C 17.6 0.3 1 1313 141 149 ILE CD1 C 14.9 0.3 1 1314 141 149 ILE N N 128.9 0.3 1 1315 142 150 TYR H H 8.61 0.02 1 1316 142 150 TYR HA H 5.54 0.02 1 1317 142 150 TYR HB2 H 2.90 0.02 2 1318 142 150 TYR HB3 H 2.65 0.02 2 1319 142 150 TYR C C 176.4 0.3 1 1320 142 150 TYR CA C 57.4 0.3 1 1321 142 150 TYR CB C 41.1 0.3 1 1322 142 150 TYR N N 126.2 0.3 1 1323 143 151 CYS H H 8.92 0.02 1 1324 143 151 CYS HA H 5.27 0.02 1 1325 143 151 CYS HB2 H 3.56 0.02 2 1326 143 151 CYS HB3 H 3.54 0.02 2 1327 143 151 CYS C C 171.6 0.3 1 1328 143 151 CYS CA C 55.5 0.3 1 1329 143 151 CYS CB C 31.3 0.3 1 1330 143 151 CYS N N 117.1 0.3 1 1331 146 154 LYS HA H 4.03 0.02 1 1332 146 154 LYS HB2 H 1.90 0.02 2 1333 146 154 LYS HB3 H 1.88 0.02 2 1334 146 154 LYS HG2 H 1.55 0.02 2 1335 146 154 LYS HG3 H 1.44 0.02 2 1336 146 154 LYS HD2 H 1.72 0.02 2 1337 146 154 LYS HD3 H 1.61 0.02 2 1338 146 154 LYS HE2 H 3.00 0.02 2 1339 146 154 LYS HE3 H 2.92 0.02 2 1340 146 154 LYS C C 178.5 0.3 1 1341 146 154 LYS CA C 60.1 0.3 1 1342 146 154 LYS CB C 33.0 0.3 1 1343 146 154 LYS CG C 25.5 0.3 1 1344 146 154 LYS CD C 29.4 0.3 1 1345 146 154 LYS CE C 41.9 0.3 1 1346 147 155 GLU H H 8.91 0.02 1 1347 147 155 GLU HA H 4.27 0.02 1 1348 147 155 GLU HB2 H 2.34 0.02 2 1349 147 155 GLU HB3 H 2.20 0.02 2 1350 147 155 GLU HG2 H 2.40 0.02 2 1351 147 155 GLU HG3 H 2.39 0.02 2 1352 147 155 GLU C C 180.0 0.3 1 1353 147 155 GLU CA C 59.1 0.3 1 1354 147 155 GLU CB C 28.6 0.3 1 1355 147 155 GLU CG C 36.2 0.3 1 1356 147 155 GLU N N 121.0 0.3 1 1357 148 156 TRP H H 8.46 0.02 1 1358 148 156 TRP HA H 4.29 0.02 1 1359 148 156 TRP HB2 H 3.40 0.02 2 1360 148 156 TRP HB3 H 3.15 0.02 2 1361 148 156 TRP C C 177.3 0.3 1 1362 148 156 TRP CA C 61.1 0.3 1 1363 148 156 TRP CB C 27.8 0.3 1 1364 148 156 TRP N N 120.9 0.3 1 1365 149 157 GLU H H 8.29 0.02 1 1366 149 157 GLU HA H 3.76 0.02 1 1367 149 157 GLU HB2 H 1.70 0.02 2 1368 149 157 GLU HB3 H 1.59 0.02 2 1369 149 157 GLU HG2 H 2.16 0.02 2 1370 149 157 GLU HG3 H 2.13 0.02 2 1371 149 157 GLU C C 177.8 0.3 1 1372 149 157 GLU CA C 60.1 0.3 1 1373 149 157 GLU CB C 29.9 0.3 1 1374 149 157 GLU CG C 35.1 0.3 1 1375 149 157 GLU N N 120.7 0.3 1 1376 150 158 LYS H H 7.55 0.02 1 1377 150 158 LYS HA H 4.03 0.02 1 1378 150 158 LYS HB2 H 1.97 0.02 2 1379 150 158 LYS HB3 H 1.94 0.02 2 1380 150 158 LYS HG2 H 1.54 0.02 2 1381 150 158 LYS HG3 H 1.42 0.02 2 1382 150 158 LYS HD2 H 1.73 0.02 2 1383 150 158 LYS HD3 H 1.71 0.02 2 1384 150 158 LYS HE2 H 2.97 0.02 2 1385 150 158 LYS HE3 H 2.90 0.02 2 1386 150 158 LYS C C 178.7 0.3 1 1387 150 158 LYS CA C 59.5 0.3 1 1388 150 158 LYS CB C 32.5 0.3 1 1389 150 158 LYS CG C 24.7 0.3 1 1390 150 158 LYS CD C 29.3 0.3 1 1391 150 158 LYS CE C 41.9 0.3 1 1392 150 158 LYS N N 118.6 0.3 1 1393 151 159 LYS H H 7.90 0.02 1 1394 151 159 LYS HA H 4.03 0.02 1 1395 151 159 LYS HB2 H 1.68 0.02 2 1396 151 159 LYS HB3 H 1.65 0.02 2 1397 151 159 LYS HG2 H 1.54 0.02 2 1398 151 159 LYS HG3 H 1.41 0.02 2 1399 151 159 LYS HD2 H 1.72 0.02 2 1400 151 159 LYS HD3 H 1.60 0.02 2 1401 151 159 LYS HE2 H 2.92 0.02 2 1402 151 159 LYS HE3 H 2.88 0.02 2 1403 151 159 LYS C C 180.3 0.3 1 1404 151 159 LYS CA C 59.6 0.3 1 1405 151 159 LYS CB C 33.4 0.3 1 1406 151 159 LYS CG C 24.6 0.3 1 1407 151 159 LYS CD C 29.0 0.3 1 1408 151 159 LYS CE C 41.9 0.3 1 1409 151 159 LYS N N 118.9 0.3 1 1410 152 160 ILE H H 9.14 0.02 1 1411 152 160 ILE HA H 3.53 0.02 1 1412 152 160 ILE HB H 1.81 0.02 1 1413 152 160 ILE HG12 H 1.97 0.02 2 1414 152 160 ILE HG13 H 1.94 0.02 2 1415 152 160 ILE HG2 H 0.85 0.02 1 1416 152 160 ILE HD1 H 0.91 0.02 1 1417 152 160 ILE C C 177.3 0.3 1 1418 152 160 ILE CA C 65.5 0.3 1 1419 152 160 ILE CB C 38.4 0.3 1 1420 152 160 ILE CG1 C 29.9 0.3 1 1421 152 160 ILE CG2 C 18.3 0.3 1 1422 152 160 ILE CD1 C 13.8 0.3 1 1423 152 160 ILE N N 121.1 0.3 1 1424 153 161 SER H H 8.36 0.02 1 1425 153 161 SER HA H 4.03 0.02 1 1426 153 161 SER C C 177.5 0.3 1 1427 153 161 SER CA C 62.2 0.3 1 1428 153 161 SER CB C 68.0 0.3 1 1429 153 161 SER N N 114.4 0.3 1 1430 154 162 GLU H H 8.20 0.02 1 1431 154 162 GLU HA H 3.97 0.02 1 1432 154 162 GLU HB2 H 2.12 0.02 2 1433 154 162 GLU HB3 H 2.01 0.02 2 1434 154 162 GLU HG2 H 2.45 0.02 2 1435 154 162 GLU HG3 H 2.20 0.02 2 1436 154 162 GLU C C 178.1 0.3 1 1437 154 162 GLU CA C 59.5 0.3 1 1438 154 162 GLU CB C 29.4 0.3 1 1439 154 162 GLU CG C 36.7 0.3 1 1440 154 162 GLU N N 120.5 0.3 1 1441 155 163 ALA H H 7.81 0.02 1 1442 155 163 ALA HA H 4.07 0.02 1 1443 155 163 ALA HB H 1.58 0.02 1 1444 155 163 ALA C C 181.1 0.3 1 1445 155 163 ALA CA C 55.0 0.3 1 1446 155 163 ALA CB C 18.5 0.3 1 1447 155 163 ALA N N 121.9 0.3 1 1448 156 164 ILE H H 8.38 0.02 1 1449 156 164 ILE HA H 3.32 0.02 1 1450 156 164 ILE HB H 2.01 0.02 1 1451 156 164 ILE HG2 H 0.95 0.02 1 1452 156 164 ILE HD1 H 0.77 0.02 1 1453 156 164 ILE C C 178.9 0.3 1 1454 156 164 ILE CA C 65.8 0.3 1 1455 156 164 ILE CB C 38.8 0.3 1 1456 156 164 ILE CG1 C 29.1 0.3 1 1457 156 164 ILE CG2 C 17.2 0.3 1 1458 156 164 ILE CD1 C 14.3 0.3 1 1459 156 164 ILE N N 117.7 0.3 1 1460 157 165 GLN H H 7.97 0.02 1 1461 157 165 GLN HA H 4.03 0.02 1 1462 157 165 GLN HB2 H 2.20 0.02 2 1463 157 165 GLN HB3 H 2.18 0.02 2 1464 157 165 GLN HG2 H 2.53 0.02 2 1465 157 165 GLN HG3 H 2.47 0.02 2 1466 157 165 GLN C C 177.9 0.3 1 1467 157 165 GLN CA C 58.4 0.3 1 1468 157 165 GLN CB C 28.5 0.3 1 1469 157 165 GLN CG C 33.8 0.3 1 1470 157 165 GLN N N 118.8 0.3 1 1471 158 166 MET H H 7.73 0.02 1 1472 158 166 MET HA H 4.37 0.02 1 1473 158 166 MET HB2 H 2.17 0.02 2 1474 158 166 MET HB3 H 2.05 0.02 2 1475 158 166 MET HG2 H 2.73 0.02 2 1476 158 166 MET HG3 H 2.66 0.02 2 1477 158 166 MET C C 176.5 0.3 1 1478 158 166 MET CA C 56.3 0.3 1 1479 158 166 MET CB C 32.6 0.3 1 1480 158 166 MET CG C 32.2 0.3 1 1481 158 166 MET N N 115.3 0.3 1 1482 159 167 ARG H H 7.24 0.02 1 1483 159 167 ARG HA H 4.27 0.02 1 1484 159 167 ARG HB2 H 1.67 0.02 2 1485 159 167 ARG HB3 H 1.65 0.02 2 1486 159 167 ARG HG2 H 1.45 0.02 2 1487 159 167 ARG HG3 H 1.29 0.02 2 1488 159 167 ARG HD2 H 1.97 0.02 2 1489 159 167 ARG HD3 H 1.90 0.02 2 1490 159 167 ARG C C 175.6 0.3 1 1491 159 167 ARG CA C 56.5 0.3 1 1492 159 167 ARG CB C 30.1 0.3 1 1493 159 167 ARG CG C 26.4 0.3 1 1494 159 167 ARG CD C 42.0 0.3 1 1495 159 167 ARG N N 118.7 0.3 1 1496 160 168 THR H H 7.46 0.02 1 1497 160 168 THR HA H 4.10 0.02 1 1498 160 168 THR HB H 4.23 0.02 1 1499 160 168 THR HG2 H 1.20 0.02 1 1500 160 168 THR C C 179.1 0.3 1 1501 160 168 THR CA C 63.7 0.3 1 1502 160 168 THR CB C 70.8 0.3 1 1503 160 168 THR CG2 C 22.4 0.3 1 1504 160 168 THR N N 119.6 0.3 1 stop_ save_