data_19736 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments of a the mature form of Trypanosoma brucei 1-C-Grx1 ; _BMRB_accession_number 19736 _BMRB_flat_file_name bmr19736.str _Entry_type original _Submission_date 2014-01-15 _Accession_date 2014-01-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sturlese Mattia . . 2 Lelli Moreno . . 3 Bellanda Massimo . . 4 Manta Bruno . . 5 Comini Marcelo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 735 "13C chemical shifts" 594 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-11-07 original author . stop_ _Original_release_date 2014-11-07 save_ ############################# # Citation for this entry # ############################# save_1C-Grx-1 _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignment of the mature form of monothiol glutaredoxin 1 from the pathogen Trypanosoma brucei' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24830542 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sturlese Mattia . . 2 Lelli Moreno . . 3 Manta Bruno . . 4 Mammi Stefano . . 5 Comini Marcelo . . 6 Bellanda Massimo . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 1-C-Grx1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 1-C-Grx1 $1-C-Grx1 stop_ _System_molecular_weight 16063 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_1-C-Grx1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 1-C-Grx1 _Molecular_mass 16063.5 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; GAMSTSGIGGDVRDIEETHP DFQPRLVSADLAEDEIAMVK KDIDDTIKSEDVVTFIKGLP EAPMCAYSKRMIDVLEALGL EYTSFDVLAHPVVRSYVKEV SEWPTIPQLFIKAEFVGGLD IVTKMLESGDLKKMLRDKGI TCRDL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 40 GLY 2 41 ALA 3 42 MET 4 43 SER 5 44 THR 6 45 SER 7 46 GLY 8 47 ILE 9 48 GLY 10 49 GLY 11 50 ASP 12 51 VAL 13 52 ARG 14 53 ASP 15 54 ILE 16 55 GLU 17 56 GLU 18 57 THR 19 58 HIS 20 59 PRO 21 60 ASP 22 61 PHE 23 62 GLN 24 63 PRO 25 64 ARG 26 65 LEU 27 66 VAL 28 67 SER 29 68 ALA 30 69 ASP 31 70 LEU 32 71 ALA 33 72 GLU 34 73 ASP 35 74 GLU 36 75 ILE 37 76 ALA 38 77 MET 39 78 VAL 40 79 LYS 41 80 LYS 42 81 ASP 43 82 ILE 44 83 ASP 45 84 ASP 46 85 THR 47 86 ILE 48 87 LYS 49 88 SER 50 89 GLU 51 90 ASP 52 91 VAL 53 92 VAL 54 93 THR 55 94 PHE 56 95 ILE 57 96 LYS 58 97 GLY 59 98 LEU 60 99 PRO 61 100 GLU 62 101 ALA 63 102 PRO 64 103 MET 65 104 CYS 66 105 ALA 67 106 TYR 68 107 SER 69 108 LYS 70 109 ARG 71 110 MET 72 111 ILE 73 112 ASP 74 113 VAL 75 114 LEU 76 115 GLU 77 116 ALA 78 117 LEU 79 118 GLY 80 119 LEU 81 120 GLU 82 121 TYR 83 122 THR 84 123 SER 85 124 PHE 86 125 ASP 87 126 VAL 88 127 LEU 89 128 ALA 90 129 HIS 91 130 PRO 92 131 VAL 93 132 VAL 94 133 ARG 95 134 SER 96 135 TYR 97 136 VAL 98 137 LYS 99 138 GLU 100 139 VAL 101 140 SER 102 141 GLU 103 142 TRP 104 143 PRO 105 144 THR 106 145 ILE 107 146 PRO 108 147 GLN 109 148 LEU 110 149 PHE 111 150 ILE 112 151 LYS 113 152 ALA 114 153 GLU 115 154 PHE 116 155 VAL 117 156 GLY 118 157 GLY 119 158 LEU 120 159 ASP 121 160 ILE 122 161 VAL 123 162 THR 124 163 LYS 125 164 MET 126 165 LEU 127 166 GLU 128 167 SER 129 168 GLY 130 169 ASP 131 170 LEU 132 171 LYS 133 172 LYS 134 173 MET 135 174 LEU 136 175 ARG 137 176 ASP 138 177 LYS 139 178 GLY 140 179 ILE 141 180 THR 142 181 CYS 143 182 ARG 144 183 ASP 145 184 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18485 1-C-Grx1 75.17 110 100.00 100.00 6.29e-71 PDB 2LTK "Solution Structure Of A Monomeric Truncated Mutant Of Trypanosoma Brucei 1-c-grx1" 75.17 110 100.00 100.00 6.29e-71 EMBL CAF02300 "mono-cysteine glutaredoxin [Trypanosoma brucei]" 97.93 184 100.00 100.00 3.47e-96 EMBL CBH14109 "glutaredoxin-like protein, putative [Trypanosoma brucei gambiense DAL972]" 97.93 212 100.00 100.00 3.63e-96 GB EAN76448 "glutaredoxin-like protein [Trypanosoma brucei brucei TREU927]" 97.93 213 100.00 100.00 3.59e-96 REF XP_011776380 "glutaredoxin-like protein, putative [Trypanosoma brucei gambiense DAL972]" 97.93 212 100.00 100.00 3.63e-96 REF XP_803662 "glutaredoxin-like protein [Trypanosoma brucei brucei TREU927]" 97.93 213 100.00 100.00 3.59e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $1-C-Grx1 'Trypanosoma brucei' 5691 Eukaryota . Trypanosoma brucei mgrx1 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 $1-C-Grx1 'recombinant technology' . Escherichia coli Bl21(de3) 'pET Trx-1b' 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 $1-C-Grx1 1.8 mM '[U-13C; U-15N]' DTT 5 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium azide' 0.05 '% w/v' 'natural abundance' EDTA 1 mM 'natural abundance' PMSF 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.9.0 loop_ _Vendor _Address _Electronic_address 'Fred Damberger, Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details web-server save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 1000 _Details Cryoprobe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 1-C-Grx1 _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 43 4 SER HA H 4.550 0.020 1 2 43 4 SER HB2 H 3.912 0.020 1 3 43 4 SER HB3 H 3.912 0.020 1 4 43 4 SER C C 174.911 0.3 1 5 43 4 SER CA C 58.229 0.3 1 6 43 4 SER CB C 64.400 0.3 1 7 44 5 THR H H 8.579 0.020 1 8 44 5 THR HA H 4.454 0.020 1 9 44 5 THR HB H 4.321 0.020 1 10 44 5 THR HG2 H 1.204 0.020 1 11 44 5 THR C C 176.331 0.3 1 12 44 5 THR CA C 61.715 0.3 1 13 44 5 THR CB C 70.094 0.3 1 14 44 5 THR N N 122.124 0.3 1 15 45 6 SER H H 8.343 0.020 1 16 45 6 SER HA H 4.480 0.020 1 17 45 6 SER HB2 H 3.903 0.020 1 18 45 6 SER HB3 H 3.903 0.020 1 19 45 6 SER C C 174.846 0.3 1 20 45 6 SER CA C 58.540 0.3 1 21 45 6 SER CB C 64.500 0.3 1 22 45 6 SER N N 117.392 0.3 1 23 46 7 GLY H H 8.413 0.020 1 24 46 7 GLY HA2 H 3.990 0.020 1 25 46 7 GLY HA3 H 3.990 0.020 1 26 46 7 GLY C C 174.114 0.3 1 27 46 7 GLY CA C 44.840 0.3 1 28 46 7 GLY N N 110.451 0.3 1 29 47 8 ILE H H 8.037 0.020 1 30 47 8 ILE HA H 4.213 0.020 1 31 47 8 ILE HB H 1.880 0.020 1 32 47 8 ILE HG12 H 1.445 0.020 1 33 47 8 ILE HG13 H 1.445 0.020 1 34 47 8 ILE HG2 H 1.160 0.020 1 35 47 8 ILE HD1 H 0.844 0.020 1 36 47 8 ILE C C 176.872 0.3 1 37 47 8 ILE CA C 60.892 0.3 1 38 47 8 ILE CB C 39.000 0.3 1 39 47 8 ILE CG1 C 26.971 0.3 1 40 47 8 ILE CG2 C 17.245 0.3 1 41 47 8 ILE CD1 C 12.864 0.3 1 42 47 8 ILE N N 119.259 0.3 1 43 48 9 GLY H H 8.550 0.020 1 44 48 9 GLY HA2 H 3.980 0.020 2 45 48 9 GLY HA3 H 4.000 0.020 2 46 48 9 GLY C C 174.476 0.3 1 47 48 9 GLY CA C 45.140 0.3 1 48 48 9 GLY N N 112.491 0.3 1 49 49 10 GLY H H 8.233 0.020 1 50 49 10 GLY HA2 H 3.984 0.020 1 51 49 10 GLY HA3 H 3.984 0.020 1 52 49 10 GLY C C 173.672 0.3 1 53 49 10 GLY CA C 45.140 0.3 1 54 49 10 GLY N N 108.289 0.3 1 55 50 11 ASP H H 8.352 0.020 1 56 50 11 ASP HA H 4.630 0.020 1 57 50 11 ASP HB2 H 2.569 0.020 2 58 50 11 ASP HB3 H 2.711 0.020 2 59 50 11 ASP C C 176.212 0.3 1 60 50 11 ASP CA C 53.840 0.3 1 61 50 11 ASP CB C 41.500 0.3 1 62 50 11 ASP N N 120.077 0.3 1 63 51 12 VAL H H 8.102 0.020 1 64 51 12 VAL HA H 4.100 0.020 1 65 51 12 VAL HB H 2.090 0.020 1 66 51 12 VAL HG1 H 0.919 0.020 1 67 51 12 VAL HG2 H 0.919 0.020 1 68 51 12 VAL C C 176.063 0.3 1 69 51 12 VAL CA C 62.340 0.3 1 70 51 12 VAL CB C 32.400 0.3 1 71 51 12 VAL CG1 C 21.000 0.3 1 72 51 12 VAL CG2 C 21.700 0.3 1 73 51 12 VAL N N 120.237 0.3 1 74 52 13 ARG H H 8.391 0.020 1 75 52 13 ARG HA H 4.349 0.020 1 76 52 13 ARG HB2 H 1.820 0.020 1 77 52 13 ARG HB3 H 1.820 0.020 1 78 52 13 ARG HG2 H 1.590 0.020 1 79 52 13 ARG HG3 H 1.590 0.020 1 80 52 13 ARG HD2 H 3.184 0.020 1 81 52 13 ARG HD3 H 3.184 0.020 1 82 52 13 ARG C C 175.870 0.3 1 83 52 13 ARG CA C 55.740 0.3 1 84 52 13 ARG CB C 31.300 0.3 1 85 52 13 ARG CG C 27.000 0.3 1 86 52 13 ARG CD C 43.350 0.3 1 87 52 13 ARG N N 124.044 0.3 1 88 53 14 ASP H H 8.344 0.020 1 89 53 14 ASP HA H 4.610 0.020 1 90 53 14 ASP HB2 H 2.587 0.020 2 91 53 14 ASP HB3 H 2.737 0.020 2 92 53 14 ASP C C 176.091 0.3 1 93 53 14 ASP CA C 54.140 0.3 1 94 53 14 ASP CB C 41.500 0.3 1 95 53 14 ASP N N 121.127 0.3 1 96 54 15 ILE H H 8.019 0.020 1 97 54 15 ILE HA H 4.150 0.020 1 98 54 15 ILE HB H 1.860 0.020 1 99 54 15 ILE HG12 H 1.423 0.020 1 100 54 15 ILE HG13 H 1.423 0.020 1 101 54 15 ILE HG2 H 1.160 0.020 1 102 54 15 ILE HD1 H 0.875 0.020 1 103 54 15 ILE C C 176.056 0.3 1 104 54 15 ILE CA C 60.940 0.3 1 105 54 15 ILE CB C 38.789 0.3 1 106 54 15 ILE CG1 C 26.912 0.3 1 107 54 15 ILE CG2 C 17.400 0.3 1 108 54 15 ILE CD1 C 12.735 0.3 1 109 54 15 ILE N N 120.045 0.3 1 110 55 16 GLU H H 8.440 0.020 1 111 55 16 GLU HA H 4.242 0.020 1 112 55 16 GLU HB2 H 2.030 0.020 1 113 55 16 GLU HB3 H 2.030 0.020 1 114 55 16 GLU HG2 H 2.249 0.020 1 115 55 16 GLU HG3 H 2.249 0.020 1 116 55 16 GLU C C 176.883 0.3 1 117 55 16 GLU CA C 56.240 0.3 1 118 55 16 GLU CB C 30.400 0.3 1 119 55 16 GLU CG C 36.300 0.3 1 120 55 16 GLU N N 124.041 0.3 1 121 56 17 GLU H H 8.052 0.020 1 122 56 17 GLU HA H 4.110 0.020 1 123 56 17 GLU HB2 H 1.933 0.020 1 124 56 17 GLU HB3 H 1.933 0.020 1 125 56 17 GLU HG2 H 2.172 0.020 1 126 56 17 GLU HG3 H 2.172 0.020 1 127 56 17 GLU C C 176.250 0.3 1 128 56 17 GLU CA C 56.540 0.3 1 129 56 17 GLU CB C 30.600 0.3 1 130 56 17 GLU CG C 36.300 0.3 1 131 56 17 GLU N N 120.935 0.3 1 132 57 18 THR H H 8.030 0.020 1 133 57 18 THR HA H 4.260 0.020 1 134 57 18 THR HB H 4.150 0.020 1 135 57 18 THR HG2 H 1.149 0.020 1 136 57 18 THR C C 173.935 0.3 1 137 57 18 THR CA C 61.340 0.3 1 138 57 18 THR CB C 70.500 0.3 1 139 57 18 THR CG2 C 21.312 0.3 1 140 57 18 THR N N 113.739 0.3 1 141 58 19 HIS H H 8.440 0.020 1 142 58 19 HIS HA H 3.930 0.020 1 143 58 19 HIS HD2 H 7.070 0.020 1 144 58 19 HIS HE1 H 7.916 0.020 1 145 58 19 HIS C C 173.636 0.3 1 146 58 19 HIS CA C 54.340 0.3 1 147 58 19 HIS CD2 C 119.846 0.3 1 148 58 19 HIS CE1 C 137.982 0.3 1 149 58 19 HIS N N 123.144 0.3 1 150 59 20 PRO HA H 4.380 0.020 1 151 59 20 PRO HB2 H 2.239 0.020 2 152 59 20 PRO HB3 H 1.816 0.020 2 153 59 20 PRO HG2 H 1.919 0.020 1 154 59 20 PRO HG3 H 1.919 0.020 1 155 59 20 PRO HD2 H 3.673 0.020 2 156 59 20 PRO HD3 H 3.276 0.020 2 157 59 20 PRO C C 176.916 0.3 1 158 59 20 PRO CA C 63.440 0.3 1 159 59 20 PRO CB C 32.195 0.3 1 160 59 20 PRO CG C 26.980 0.3 1 161 59 20 PRO CD C 50.400 0.3 1 162 60 21 ASP H H 9.091 0.020 1 163 60 21 ASP HA H 4.600 0.020 1 164 60 21 ASP HB2 H 2.708 0.020 2 165 60 21 ASP HB3 H 2.598 0.020 2 166 60 21 ASP C C 175.959 0.3 1 167 60 21 ASP CA C 54.133 0.3 1 168 60 21 ASP CB C 41.201 0.3 1 169 60 21 ASP N N 119.609 0.3 1 170 61 22 PHE H H 8.089 0.020 1 171 61 22 PHE HA H 4.548 0.020 1 172 61 22 PHE HB2 H 3.111 0.020 1 173 61 22 PHE HB3 H 3.111 0.020 1 174 61 22 PHE HD1 H 7.211 0.020 1 175 61 22 PHE HD2 H 7.211 0.020 1 176 61 22 PHE C C 175.035 0.3 1 177 61 22 PHE CA C 57.440 0.3 1 178 61 22 PHE CB C 39.656 0.3 1 179 61 22 PHE CD1 C 130.622 0.3 1 180 61 22 PHE CD2 C 130.622 0.3 1 181 61 22 PHE N N 119.838 0.3 1 182 62 23 GLN H H 7.988 0.020 1 183 62 23 GLN HA H 4.561 0.020 1 184 62 23 GLN HB2 H 1.999 0.020 2 185 62 23 GLN HB3 H 1.845 0.020 2 186 62 23 GLN HE21 H 6.850 0.020 2 187 62 23 GLN HE22 H 7.540 0.020 2 188 62 23 GLN HG2 H 2.301 0.020 1 189 62 23 GLN HG3 H 2.301 0.020 1 190 62 23 GLN C C 173.055 0.3 1 191 62 23 GLN CA C 52.814 0.3 1 192 62 23 GLN CB C 29.814 0.3 1 193 62 23 GLN CG C 33.233 0.3 1 194 62 23 GLN N N 123.361 0.3 1 195 62 23 GLN NE2 N 112.761 0.3 1 196 63 24 PRO HA H 4.340 0.020 1 197 63 24 PRO HB2 H 2.287 0.020 1 198 63 24 PRO HB3 H 2.287 0.020 1 199 63 24 PRO HG2 H 1.979 0.020 1 200 63 24 PRO HG3 H 1.979 0.020 1 201 63 24 PRO HD2 H 3.627 0.020 1 202 63 24 PRO HD3 H 3.627 0.020 1 203 63 24 PRO C C 176.043 0.3 1 204 63 24 PRO CA C 62.970 0.3 1 205 63 24 PRO CB C 32.066 0.3 1 206 63 24 PRO CG C 27.000 0.3 1 207 63 24 PRO CD C 50.517 0.3 1 208 64 25 ARG H H 8.227 0.020 1 209 64 25 ARG HA H 4.156 0.020 1 210 64 25 ARG HB2 H 1.617 0.020 1 211 64 25 ARG HB3 H 1.617 0.020 1 212 64 25 ARG HG2 H 1.590 0.020 2 213 64 25 ARG HG3 H 1.440 0.020 2 214 64 25 ARG HD2 H 3.186 0.020 1 215 64 25 ARG C C 173.602 0.3 1 216 64 25 ARG CA C 55.596 0.3 1 217 64 25 ARG CG C 27.000 0.3 1 218 64 25 ARG CD C 43.335 0.3 1 219 64 25 ARG N N 123.884 0.3 1 220 66 27 VAL HA H 4.241 0.020 1 221 66 27 VAL HB H 2.122 0.020 1 222 66 27 VAL HG1 H 0.965 0.020 1 223 66 27 VAL HG2 H 0.965 0.020 1 224 66 27 VAL C C 175.823 0.020 1 225 66 27 VAL CA C 62.200 0.020 1 226 66 27 VAL CB C 32.810 0.020 1 227 66 27 VAL CG1 C 15.862 0.020 1 228 66 27 VAL CG2 C 15.862 0.020 1 229 67 28 SER H H 8.470 0.020 1 230 67 28 SER HA H 4.396 0.020 1 231 67 28 SER HB2 H 3.882 0.020 1 232 67 28 SER HB3 H 3.882 0.020 1 233 67 28 SER C C 174.218 0.3 1 234 67 28 SER CA C 58.046 0.3 1 235 67 28 SER CB C 64.000 0.3 1 236 67 28 SER N N 119.649 0.3 1 237 68 29 ALA H H 8.401 0.020 1 238 68 29 ALA HA H 4.340 0.020 1 239 68 29 ALA HB H 1.404 0.020 1 240 68 29 ALA C C 177.293 0.3 1 241 68 29 ALA CA C 52.402 0.3 1 242 68 29 ALA CB C 19.346 0.3 1 243 68 29 ALA N N 125.219 0.3 1 244 69 30 ASP H H 8.240 0.020 1 245 69 30 ASP HA H 4.600 0.020 1 246 69 30 ASP HB2 H 2.750 0.020 2 247 69 30 ASP HB3 H 2.597 0.020 2 248 69 30 ASP C C 175.959 0.3 1 249 69 30 ASP CA C 54.040 0.3 1 250 69 30 ASP CB C 41.400 0.3 1 251 69 30 ASP N N 118.519 0.3 1 252 70 31 LEU H H 7.975 0.020 1 253 70 31 LEU HA H 4.380 0.020 1 254 70 31 LEU HB2 H 1.670 0.020 2 255 70 31 LEU HB3 H 1.534 0.020 2 256 70 31 LEU HG H 1.610 0.020 1 257 70 31 LEU HD1 H 0.842 0.020 1 258 70 31 LEU HD2 H 0.842 0.020 1 259 70 31 LEU C C 176.807 0.3 1 260 70 31 LEU CA C 54.620 0.3 1 261 70 31 LEU CB C 43.348 0.3 1 262 70 31 LEU CG C 26.901 0.3 1 263 70 31 LEU CD1 C 25.000 0.3 1 264 70 31 LEU CD2 C 23.645 0.3 1 265 70 31 LEU N N 121.573 0.3 1 266 71 32 ALA H H 8.573 0.020 1 267 71 32 ALA HA H 4.390 0.020 1 268 71 32 ALA HB H 1.537 0.020 1 269 71 32 ALA C C 178.494 0.3 1 270 71 32 ALA CA C 52.040 0.3 1 271 71 32 ALA CB C 19.700 0.3 1 272 71 32 ALA N N 124.342 0.3 1 273 72 33 GLU H H 8.642 0.020 1 274 72 33 GLU HA H 4.064 0.020 1 275 72 33 GLU HB2 H 2.060 0.020 1 276 72 33 GLU HB3 H 2.060 0.020 1 277 72 33 GLU HG2 H 2.323 0.020 1 278 72 33 GLU HG3 H 2.323 0.020 1 279 72 33 GLU C C 178.019 0.3 1 280 72 33 GLU CA C 58.640 0.3 1 281 72 33 GLU CB C 29.900 0.3 1 282 72 33 GLU CG C 36.300 0.3 1 283 72 33 GLU N N 119.875 0.3 1 284 73 34 ASP H H 8.558 0.020 1 285 73 34 ASP HA H 4.470 0.020 1 286 73 34 ASP HB2 H 2.587 0.020 2 287 73 34 ASP HB3 H 2.643 0.020 2 288 73 34 ASP C C 177.522 0.3 1 289 73 34 ASP CA C 55.398 0.3 1 290 73 34 ASP CB C 40.400 0.3 1 291 73 34 ASP N N 118.327 0.3 1 292 74 35 GLU H H 7.767 0.020 1 293 74 35 GLU HA H 4.130 0.020 1 294 74 35 GLU HB2 H 2.601 0.020 1 295 74 35 GLU HB3 H 2.601 0.020 1 296 74 35 GLU C C 178.244 0.3 1 297 74 35 GLU CA C 58.716 0.3 1 298 74 35 GLU CB C 29.969 0.3 1 299 74 35 GLU CG C 36.300 0.3 1 300 74 35 GLU N N 121.320 0.3 1 301 75 36 ILE H H 8.519 0.020 1 302 75 36 ILE HA H 4.081 0.020 1 303 75 36 ILE HB H 1.894 0.020 1 304 75 36 ILE C C 176.322 0.3 1 305 75 36 ILE CA C 61.089 0.3 1 306 75 36 ILE CB C 38.318 0.3 1 307 75 36 ILE N N 117.873 0.3 1 308 76 37 ALA H H 8.195 0.020 1 309 76 37 ALA HA H 4.305 0.020 1 310 76 37 ALA HB H 1.405 0.020 1 311 76 37 ALA C C 177.689 0.3 1 312 76 37 ALA CA C 52.340 0.3 1 313 76 37 ALA CB C 19.100 0.3 1 314 76 37 ALA N N 126.131 0.3 1 315 77 38 MET H H 8.142 0.020 1 316 77 38 MET HA H 4.420 0.020 1 317 77 38 MET HB2 H 2.050 0.020 2 318 77 38 MET HB3 H 2.030 0.020 2 319 77 38 MET C C 176.106 0.3 1 320 77 38 MET CA C 55.008 0.3 1 321 77 38 MET CB C 33.020 0.3 1 322 77 38 MET N N 118.761 0.3 1 323 78 39 VAL H H 8.017 0.020 1 324 78 39 VAL HA H 4.070 0.020 1 325 78 39 VAL HB H 2.070 0.020 1 326 78 39 VAL HG1 H 0.930 0.020 1 327 78 39 VAL HG2 H 0.930 0.020 1 328 78 39 VAL C C 175.843 0.3 1 329 78 39 VAL CA C 61.940 0.3 1 330 78 39 VAL CB C 32.671 0.3 1 331 78 39 VAL CG1 C 20.633 0.3 1 332 78 39 VAL CG2 C 20.544 0.3 1 333 78 39 VAL N N 121.154 0.3 1 334 79 40 LYS H H 8.351 0.020 1 335 79 40 LYS C C 176.118 0.3 1 336 79 40 LYS CA C 55.936 0.3 1 337 79 40 LYS CD C 29.100 0.3 1 338 79 40 LYS CE C 42.100 0.3 1 339 79 40 LYS N N 125.240 0.3 1 340 80 41 LYS HA H 4.021 0.3 1 341 80 41 LYS HB2 H 1.871 0.3 1 342 80 41 LYS HB3 H 1.871 0.3 1 343 80 41 LYS C C 177.580 0.3 1 344 80 41 LYS CA C 59.062 0.3 1 345 81 42 ASP H H 7.827 0.020 1 346 81 42 ASP HA H 4.470 0.020 1 347 81 42 ASP HB2 H 2.674 0.020 1 348 81 42 ASP HB3 H 2.674 0.020 1 349 81 42 ASP C C 179.824 0.3 1 350 81 42 ASP CA C 57.223 0.3 1 351 81 42 ASP CB C 41.224 0.3 1 352 81 42 ASP N N 118.254 0.3 1 353 82 43 ILE H H 7.950 0.020 1 354 82 43 ILE HA H 3.427 0.020 1 355 82 43 ILE C C 177.011 0.3 1 356 82 43 ILE CA C 65.769 0.3 1 357 82 43 ILE CB C 37.183 0.3 1 358 82 43 ILE N N 121.679 0.3 1 359 83 44 ASP H H 8.666 0.020 1 360 83 44 ASP HA H 4.228 0.020 1 361 83 44 ASP HB2 H 2.892 0.020 2 362 83 44 ASP HB3 H 2.666 0.020 2 363 83 44 ASP C C 179.145 0.3 1 364 83 44 ASP CA C 57.437 0.3 1 365 83 44 ASP CB C 41.157 0.3 1 366 83 44 ASP N N 120.419 0.3 1 367 84 45 ASP H H 9.168 0.020 1 368 84 45 ASP HA H 4.346 0.020 1 369 84 45 ASP HB2 H 2.889 0.020 2 370 84 45 ASP HB3 H 2.680 0.020 2 371 84 45 ASP C C 179.379 0.3 1 372 84 45 ASP CA C 56.762 0.3 1 373 84 45 ASP CB C 40.266 0.3 1 374 84 45 ASP N N 118.028 0.3 1 375 85 46 THR H H 8.171 0.020 1 376 85 46 THR HA H 4.095 0.020 1 377 85 46 THR HB H 4.528 0.020 1 378 85 46 THR HG2 H 1.324 0.020 1 379 85 46 THR C C 175.854 0.3 1 380 85 46 THR CA C 67.086 0.3 1 381 85 46 THR CB C 68.500 0.3 1 382 85 46 THR CG2 C 21.800 0.3 1 383 85 46 THR N N 118.907 0.3 1 384 86 47 ILE H H 8.554 0.020 1 385 86 47 ILE HA H 3.614 0.020 1 386 86 47 ILE HB H 1.880 0.020 1 387 86 47 ILE HG12 H 1.737 0.020 2 388 86 47 ILE HG13 H 1.737 0.020 1 389 86 47 ILE HG2 H 0.689 0.020 1 390 86 47 ILE HD1 H 0.229 0.020 1 391 86 47 ILE C C 177.507 0.3 1 392 86 47 ILE CA C 65.527 0.3 1 393 86 47 ILE CB C 38.000 0.3 1 394 86 47 ILE CG1 C 29.630 0.3 1 395 86 47 ILE CG2 C 17.189 0.3 1 396 86 47 ILE CD1 C 12.857 0.3 1 397 86 47 ILE N N 120.736 0.3 1 398 87 48 LYS H H 7.643 0.020 1 399 87 48 LYS HA H 4.140 0.020 1 400 87 48 LYS HB2 H 1.926 0.020 1 401 87 48 LYS HB3 H 1.926 0.020 1 402 87 48 LYS HG2 H 1.475 0.020 2 403 87 48 LYS HG3 H 1.398 0.020 2 404 87 48 LYS HD2 H 1.682 0.020 1 405 87 48 LYS HD3 H 1.682 0.020 1 406 87 48 LYS HE2 H 2.980 0.020 1 407 87 48 LYS HE3 H 2.980 0.020 1 408 87 48 LYS C C 177.871 0.3 1 409 87 48 LYS CA C 58.240 0.3 1 410 87 48 LYS CB C 33.223 0.3 1 411 87 48 LYS CG C 25.200 0.3 1 412 87 48 LYS CD C 29.100 0.3 1 413 87 48 LYS CE C 42.100 0.3 1 414 87 48 LYS N N 113.563 0.3 1 415 88 49 SER H H 7.834 0.020 1 416 88 49 SER HB2 H 4.011 0.020 2 417 88 49 SER HB3 H 3.881 0.020 2 418 88 49 SER C C 174.605 0.3 1 419 88 49 SER CA C 59.722 0.3 1 420 88 49 SER CB C 65.042 0.3 1 421 88 49 SER N N 112.069 0.3 1 422 89 50 GLU H H 8.061 0.020 1 423 89 50 GLU HA H 4.090 0.020 1 424 89 50 GLU HB2 H 1.932 0.020 1 425 89 50 GLU HB3 H 1.932 0.020 1 426 89 50 GLU HG2 H 2.190 0.020 1 427 89 50 GLU HG3 H 2.190 0.020 1 428 89 50 GLU C C 176.867 0.3 1 429 89 50 GLU CA C 54.215 0.3 1 430 89 50 GLU CB C 30.524 0.3 1 431 89 50 GLU CG C 36.156 0.3 1 432 89 50 GLU N N 120.490 0.3 1 433 90 51 ASP H H 8.774 0.020 1 434 90 51 ASP HA H 4.340 0.020 1 435 90 51 ASP HB2 H 3.022 0.020 1 436 90 51 ASP HB3 H 3.022 0.020 1 437 90 51 ASP C C 176.294 0.3 1 438 90 51 ASP CA C 58.197 0.3 1 439 90 51 ASP CB C 40.886 0.3 1 440 90 51 ASP N N 122.092 0.3 1 441 91 52 VAL H H 8.517 0.020 1 442 91 52 VAL HA H 4.914 0.020 1 443 91 52 VAL HB H 2.490 0.020 1 444 91 52 VAL HG1 H 0.930 0.020 2 445 91 52 VAL HG2 H 1.065 0.020 2 446 91 52 VAL C C 174.352 0.3 1 447 91 52 VAL CA C 61.623 0.3 1 448 91 52 VAL CB C 34.600 0.3 1 449 91 52 VAL CG1 C 23.141 0.3 1 450 91 52 VAL CG2 C 21.000 0.3 1 451 91 52 VAL N N 117.892 0.3 1 452 92 53 VAL H H 8.878 0.020 1 453 92 53 VAL HA H 5.264 0.020 1 454 92 53 VAL HB H 1.928 0.020 1 455 92 53 VAL HG1 H 0.866 0.020 2 456 92 53 VAL HG2 H 0.763 0.020 2 457 92 53 VAL C C 174.202 0.3 1 458 92 53 VAL CA C 59.840 0.3 1 459 92 53 VAL CB C 36.300 0.3 1 460 92 53 VAL CG1 C 23.324 0.3 1 461 92 53 VAL CG2 C 22.512 0.3 1 462 92 53 VAL N N 125.570 0.3 1 463 93 54 THR H H 9.054 0.020 1 464 93 54 THR HA H 5.870 0.020 1 465 93 54 THR HB H 3.774 0.020 1 466 93 54 THR HG2 H 0.996 0.020 1 467 93 54 THR C C 170.706 0.3 1 468 93 54 THR CA C 57.940 0.3 1 469 93 54 THR CB C 72.701 0.3 1 470 93 54 THR CG2 C 18.927 0.3 1 471 93 54 THR N N 120.103 0.3 1 472 94 55 PHE H H 8.324 0.020 1 473 94 55 PHE HA H 5.450 0.020 1 474 94 55 PHE HB2 H 2.812 0.020 2 475 94 55 PHE HB3 H 2.971 0.020 2 476 94 55 PHE HD1 H 7.140 0.020 1 477 94 55 PHE HD2 H 7.140 0.020 1 478 94 55 PHE C C 174.947 0.3 1 479 94 55 PHE CA C 56.540 0.3 1 480 94 55 PHE CB C 41.900 0.3 1 481 94 55 PHE CD1 C 131.880 0.3 1 482 94 55 PHE CD2 C 131.880 0.3 1 483 94 55 PHE N N 125.105 0.3 1 484 95 56 ILE H H 9.031 0.020 1 485 95 56 ILE HA H 4.802 0.020 1 486 95 56 ILE HB H 1.736 0.020 1 487 95 56 ILE HG12 H 1.292 0.020 1 488 95 56 ILE HG13 H 1.292 0.020 1 489 95 56 ILE HG2 H 0.991 0.020 1 490 95 56 ILE HD1 H 0.370 0.020 1 491 95 56 ILE C C 174.017 0.3 1 492 95 56 ILE CA C 58.885 0.3 1 493 95 56 ILE CB C 44.179 0.3 1 494 95 56 ILE CG1 C 24.208 0.3 1 495 95 56 ILE CG2 C 17.400 0.3 1 496 95 56 ILE CD1 C 14.040 0.3 1 497 95 56 ILE N N 114.583 0.3 1 498 96 57 LYS H H 8.736 0.020 1 499 96 57 LYS HA H 4.580 0.020 1 500 96 57 LYS HB2 H 1.918 0.020 1 501 96 57 LYS HB3 H 1.918 0.020 1 502 96 57 LYS HG2 H 1.510 0.020 2 503 96 57 LYS HG3 H 1.380 0.020 2 504 96 57 LYS HD2 H 1.660 0.020 1 505 96 57 LYS HD3 H 1.660 0.020 1 506 96 57 LYS HE2 H 2.950 0.020 2 507 96 57 LYS HE3 H 3.010 0.020 2 508 96 57 LYS C C 175.768 0.3 1 509 96 57 LYS CA C 59.515 0.3 1 510 96 57 LYS CB C 33.074 0.3 1 511 96 57 LYS CG C 25.200 0.3 1 512 96 57 LYS CD C 29.100 0.3 1 513 96 57 LYS CE C 42.100 0.3 1 514 96 57 LYS N N 117.539 0.3 1 515 97 58 GLY H H 9.160 0.020 1 516 97 58 GLY HA2 H 4.158 0.020 2 517 97 58 GLY HA3 H 3.842 0.020 2 518 97 58 GLY C C 170.667 0.3 1 519 97 58 GLY CA C 44.140 0.3 1 520 97 58 GLY N N 116.938 0.3 1 521 98 59 LEU H H 7.160 0.020 1 522 98 59 LEU HA H 4.878 0.020 1 523 98 59 LEU HB2 H 1.280 0.020 1 524 98 59 LEU HB3 H 1.280 0.020 1 525 98 59 LEU HG H 1.697 0.020 1 526 98 59 LEU HD1 H 0.948 0.020 1 527 98 59 LEU HD2 H 0.948 0.020 1 528 98 59 LEU C C 176.620 0.3 1 529 98 59 LEU CA C 51.589 0.3 1 530 98 59 LEU CB C 42.903 0.3 1 531 98 59 LEU CG C 27.649 0.3 1 532 98 59 LEU CD1 C 26.046 0.3 1 533 98 59 LEU CD2 C 24.134 0.3 1 534 98 59 LEU N N 117.578 0.3 1 535 99 60 PRO HA H 3.949 0.020 1 536 99 60 PRO HB2 H 2.689 0.020 2 537 99 60 PRO HB3 H 1.987 0.020 2 538 99 60 PRO HG2 H 2.301 0.020 1 539 99 60 PRO HG3 H 2.301 0.020 1 540 99 60 PRO C C 177.102 0.3 1 541 99 60 PRO CA C 65.967 0.3 1 542 99 60 PRO CB C 31.972 0.3 1 543 99 60 PRO CG C 28.521 0.3 1 544 99 60 PRO CD C 49.469 0.3 1 545 100 61 GLU H H 8.804 0.020 1 546 100 61 GLU HA H 4.239 0.020 1 547 100 61 GLU HB2 H 2.037 0.020 1 548 100 61 GLU HB3 H 2.037 0.020 1 549 100 61 GLU HG2 H 2.247 0.020 1 550 100 61 GLU HG3 H 2.247 0.020 1 551 100 61 GLU C C 176.346 0.3 1 552 100 61 GLU CA C 56.491 0.3 1 553 100 61 GLU CB C 29.899 0.3 1 554 100 61 GLU CG C 36.300 0.3 1 555 100 61 GLU N N 110.733 0.3 1 556 101 62 ALA H H 7.874 0.020 1 557 101 62 ALA HA H 4.583 0.020 1 558 101 62 ALA HB H 1.219 0.020 1 559 101 62 ALA C C 172.266 0.3 1 560 101 62 ALA CA C 50.589 0.3 1 561 101 62 ALA CB C 18.780 0.3 1 562 101 62 ALA N N 122.054 0.3 1 563 102 63 PRO HA H 3.925 0.020 1 564 102 63 PRO HB2 H 1.858 0.020 1 565 102 63 PRO HB3 H 1.858 0.020 1 566 102 63 PRO HG2 H 1.458 0.020 1 567 102 63 PRO HG3 H 1.458 0.020 1 568 102 63 PRO HD2 H 2.990 0.020 1 569 102 63 PRO HD3 H 2.990 0.020 1 570 102 63 PRO C C 177.432 0.3 1 571 102 63 PRO CA C 59.505 0.3 1 572 102 63 PRO CB C 32.569 0.3 1 573 102 63 PRO CG C 25.102 0.3 1 574 103 64 MET H H 8.846 0.020 1 575 103 64 MET HA H 4.767 0.020 1 576 103 64 MET HB2 H 2.335 0.020 1 577 103 64 MET HB3 H 2.335 0.020 1 578 103 64 MET HG2 H 2.779 0.020 2 579 103 64 MET HG3 H 2.528 0.020 2 580 103 64 MET HE H 1.367 0.020 1 581 103 64 MET C C 175.184 0.3 1 582 103 64 MET CA C 54.149 0.3 1 583 103 64 MET CB C 32.941 0.3 1 584 103 64 MET N N 119.009 0.3 1 585 104 65 CYS H H 7.429 0.020 1 586 104 65 CYS HA H 4.846 0.020 1 587 104 65 CYS HB2 H 2.935 0.020 2 588 104 65 CYS HB3 H 3.501 0.020 2 589 104 65 CYS C C 175.918 0.3 1 590 104 65 CYS CA C 58.376 0.3 1 591 104 65 CYS CB C 33.395 0.3 1 592 104 65 CYS N N 115.765 0.3 1 593 105 66 ALA HA H 4.105 0.020 1 594 105 66 ALA HB H 1.267 0.020 1 595 105 66 ALA C C 180.211 0.020 1 596 105 66 ALA CA C 54.602 0.020 1 597 105 66 ALA CB C 18.272 0.020 1 598 106 67 TYR H H 8.886 0.020 1 599 106 67 TYR HA H 4.340 0.020 1 600 106 67 TYR HB2 H 3.510 0.020 2 601 106 67 TYR HB3 H 3.179 0.020 2 602 106 67 TYR HD1 H 7.259 0.020 1 603 106 67 TYR HD2 H 7.259 0.020 1 604 106 67 TYR HE1 H 6.903 0.020 1 605 106 67 TYR HE2 H 6.903 0.020 1 606 106 67 TYR C C 178.638 0.3 1 607 106 67 TYR CA C 59.840 0.3 1 608 106 67 TYR CB C 37.200 0.3 1 609 106 67 TYR CD1 C 132.694 0.3 1 610 106 67 TYR CD2 C 132.694 0.3 1 611 106 67 TYR CE1 C 118.550 0.3 1 612 106 67 TYR CE2 C 118.550 0.3 1 613 106 67 TYR N N 121.738 0.3 1 614 107 68 SER H H 10.071 0.020 1 615 107 68 SER HA H 4.280 0.020 1 616 107 68 SER HB2 H 4.540 0.020 2 617 107 68 SER HB3 H 3.990 0.020 2 618 107 68 SER C C 174.778 0.3 1 619 107 68 SER CA C 63.940 0.3 1 620 107 68 SER CB C 63.100 0.3 1 621 107 68 SER N N 124.276 0.3 1 622 108 69 LYS H H 8.033 0.020 1 623 108 69 LYS HA H 3.860 0.020 1 624 108 69 LYS HB2 H 1.820 0.020 2 625 108 69 LYS HB3 H 1.780 0.020 2 626 108 69 LYS HG2 H 1.510 0.020 2 627 108 69 LYS HG3 H 1.380 0.020 2 628 108 69 LYS HD2 H 1.660 0.020 2 629 108 69 LYS HD3 H 1.700 0.020 2 630 108 69 LYS HE2 H 2.950 0.020 2 631 108 69 LYS HE3 H 3.010 0.020 2 632 108 69 LYS C C 176.971 0.3 1 633 108 69 LYS CA C 59.340 0.3 1 634 108 69 LYS CB C 32.400 0.3 1 635 108 69 LYS CG C 25.200 0.3 1 636 108 69 LYS CD C 29.100 0.3 1 637 108 69 LYS CE C 42.100 0.3 1 638 108 69 LYS N N 120.924 0.3 1 639 109 70 ARG H H 7.579 0.020 1 640 109 70 ARG HA H 4.160 0.020 1 641 109 70 ARG HB2 H 2.047 0.020 1 642 109 70 ARG HB3 H 2.047 0.020 1 643 109 70 ARG HG2 H 1.590 0.020 2 644 109 70 ARG HG3 H 1.440 0.020 2 645 109 70 ARG HD2 H 3.200 0.020 2 646 109 70 ARG HD3 H 2.950 0.020 2 647 109 70 ARG C C 177.976 0.3 1 648 109 70 ARG CA C 58.840 0.3 1 649 109 70 ARG CB C 30.000 0.3 1 650 109 70 ARG CG C 27.000 0.3 1 651 109 70 ARG CD C 43.600 0.3 1 652 109 70 ARG N N 116.694 0.3 1 653 110 71 MET H H 7.924 0.020 1 654 110 71 MET HA H 4.060 0.020 1 655 110 71 MET HG2 H 2.100 0.020 2 656 110 71 MET HG3 H 1.410 0.020 2 657 110 71 MET C C 176.904 0.3 1 658 110 71 MET CA C 57.640 0.3 1 659 110 71 MET CB C 32.300 0.3 1 660 110 71 MET N N 117.413 0.3 1 661 111 72 ILE H H 7.808 0.020 1 662 111 72 ILE HA H 3.547 0.020 1 663 111 72 ILE HB H 2.304 0.020 1 664 111 72 ILE HG12 H 1.965 0.020 2 665 111 72 ILE HG13 H 1.251 0.020 2 666 111 72 ILE HG2 H 1.079 0.020 1 667 111 72 ILE HD1 H 0.702 0.020 1 668 111 72 ILE C C 177.499 0.3 1 669 111 72 ILE CA C 61.503 0.3 1 670 111 72 ILE CB C 35.161 0.3 1 671 111 72 ILE CG1 C 26.788 0.3 1 672 111 72 ILE CG2 C 17.347 0.3 1 673 111 72 ILE CD1 C 8.207 0.3 1 674 111 72 ILE N N 118.342 0.3 1 675 112 73 ASP H H 8.644 0.020 1 676 112 73 ASP HA H 4.329 0.020 1 677 112 73 ASP HB2 H 2.934 0.020 2 678 112 73 ASP HB3 H 2.620 0.020 2 679 112 73 ASP C C 180.111 0.3 1 680 112 73 ASP CA C 57.183 0.3 1 681 112 73 ASP CB C 40.034 0.3 1 682 112 73 ASP N N 118.697 0.3 1 683 113 74 VAL H H 7.835 0.020 1 684 113 74 VAL HA H 3.566 0.020 1 685 113 74 VAL HB H 2.333 0.020 1 686 113 74 VAL C C 176.821 0.3 1 687 113 74 VAL CA C 66.685 0.3 1 688 113 74 VAL CB C 31.572 0.3 1 689 113 74 VAL N N 121.093 0.3 1 690 114 75 LEU H H 7.529 0.020 1 691 114 75 LEU HA H 3.756 0.020 1 692 114 75 LEU HB2 H 1.519 0.020 2 693 114 75 LEU HB3 H 0.951 0.020 2 694 114 75 LEU HG H 1.804 0.020 1 695 114 75 LEU HD1 H 0.493 0.020 2 696 114 75 LEU HD2 H 0.063 0.020 2 697 114 75 LEU C C 179.755 0.3 1 698 114 75 LEU CA C 57.764 0.3 1 699 114 75 LEU CB C 40.968 0.3 1 700 114 75 LEU CG C 25.746 0.3 1 701 114 75 LEU CD1 C 21.453 0.3 1 702 114 75 LEU CD2 C 24.195 0.3 1 703 114 75 LEU N N 117.554 0.3 1 704 115 76 GLU H H 8.886 0.020 1 705 115 76 GLU HA H 4.310 0.020 1 706 115 76 GLU HB2 H 2.118 0.020 1 707 115 76 GLU HB3 H 2.118 0.020 1 708 115 76 GLU HG2 H 2.280 0.020 2 709 115 76 GLU HG3 H 2.210 0.020 2 710 115 76 GLU C C 180.974 0.3 1 711 115 76 GLU CA C 58.240 0.3 1 712 115 76 GLU CB C 29.500 0.3 1 713 115 76 GLU CG C 36.300 0.3 1 714 115 76 GLU N N 115.901 0.3 1 715 116 77 ALA H H 8.264 0.020 1 716 116 77 ALA HA H 4.150 0.020 1 717 116 77 ALA HB H 1.558 0.020 1 718 116 77 ALA C C 180.140 0.3 1 719 116 77 ALA CA C 54.640 0.3 1 720 116 77 ALA CB C 17.700 0.3 1 721 116 77 ALA N N 124.322 0.3 1 722 117 78 LEU H H 7.486 0.020 1 723 117 78 LEU HA H 4.240 0.020 1 724 117 78 LEU HB2 H 1.568 0.020 1 725 117 78 LEU HB3 H 1.568 0.020 1 726 117 78 LEU HG H 1.620 0.020 1 727 117 78 LEU C C 177.072 0.3 1 728 117 78 LEU CA C 54.840 0.3 1 729 117 78 LEU CB C 41.900 0.3 1 730 117 78 LEU CG C 27.300 0.3 1 731 117 78 LEU CD1 C 25.000 0.3 1 732 117 78 LEU CD2 C 23.600 0.3 1 733 117 78 LEU N N 115.163 0.3 1 734 118 79 GLY H H 7.922 0.020 1 735 118 79 GLY HA2 H 3.990 0.020 2 736 118 79 GLY HA3 H 3.850 0.020 2 737 118 79 GLY C C 174.947 0.3 1 738 118 79 GLY CA C 46.040 0.3 1 739 118 79 GLY N N 108.212 0.3 1 740 119 80 LEU H H 7.451 0.020 1 741 119 80 LEU HA H 4.453 0.020 1 742 119 80 LEU HB2 H 1.690 0.020 2 743 119 80 LEU HB3 H 1.507 0.020 2 744 119 80 LEU HG H 1.620 0.020 1 745 119 80 LEU C C 176.926 0.3 1 746 119 80 LEU CA C 53.955 0.3 1 747 119 80 LEU CB C 43.500 0.3 1 748 119 80 LEU CG C 27.200 0.3 1 749 119 80 LEU CD1 C 25.000 0.3 1 750 119 80 LEU CD2 C 23.600 0.3 1 751 119 80 LEU N N 116.597 0.3 1 752 120 81 GLU H H 8.222 0.020 1 753 120 81 GLU HA H 4.490 0.020 1 754 120 81 GLU HB2 H 1.996 0.020 1 755 120 81 GLU HB3 H 1.996 0.020 1 756 120 81 GLU HG2 H 2.642 0.020 2 757 120 81 GLU HG3 H 2.572 0.020 2 758 120 81 GLU C C 175.944 0.3 1 759 120 81 GLU CA C 55.240 0.3 1 760 120 81 GLU CB C 30.499 0.3 1 761 120 81 GLU CG C 36.300 0.3 1 762 120 81 GLU N N 120.621 0.3 1 763 121 82 TYR H H 7.891 0.020 1 764 121 82 TYR HA H 5.307 0.020 1 765 121 82 TYR HB2 H 2.590 0.020 1 766 121 82 TYR HB3 H 2.590 0.020 1 767 121 82 TYR HD1 H 6.458 0.020 1 768 121 82 TYR HD2 H 6.458 0.020 1 769 121 82 TYR HE1 H 6.459 0.020 1 770 121 82 TYR HE2 H 6.459 0.020 1 771 121 82 TYR C C 173.657 0.3 1 772 121 82 TYR CA C 55.540 0.3 1 773 121 82 TYR CB C 41.600 0.3 1 774 121 82 TYR CD1 C 133.729 0.3 1 775 121 82 TYR CD2 C 133.729 0.3 1 776 121 82 TYR CE1 C 117.502 0.3 1 777 121 82 TYR CE2 C 117.502 0.3 1 778 121 82 TYR N N 119.284 0.3 1 779 122 83 THR H H 8.604 0.020 1 780 122 83 THR HA H 4.300 0.020 1 781 122 83 THR HB H 3.734 0.020 1 782 122 83 THR C C 171.941 0.3 1 783 122 83 THR CA C 62.240 0.3 1 784 122 83 THR CB C 71.080 0.3 1 785 122 83 THR CG2 C 21.800 0.3 1 786 122 83 THR N N 117.192 0.3 1 787 123 84 SER H H 8.636 0.020 1 788 123 84 SER HA H 5.490 0.020 1 789 123 84 SER HB2 H 3.589 0.020 2 790 123 84 SER HB3 H 3.400 0.020 2 791 123 84 SER C C 173.965 0.3 1 792 123 84 SER CA C 55.740 0.3 1 793 123 84 SER CB C 66.320 0.3 1 794 123 84 SER N N 121.137 0.3 1 795 124 85 PHE H H 8.679 0.020 1 796 124 85 PHE HA H 4.566 0.020 1 797 124 85 PHE HB2 H 2.741 0.020 1 798 124 85 PHE HB3 H 2.741 0.020 1 799 124 85 PHE HD1 H 6.666 0.020 1 800 124 85 PHE HD2 H 6.666 0.020 1 801 124 85 PHE HE1 H 6.413 0.020 1 802 124 85 PHE HE2 H 6.413 0.020 1 803 124 85 PHE HZ H 7.046 0.020 1 804 124 85 PHE C C 173.534 0.3 1 805 124 85 PHE CA C 57.079 0.3 1 806 124 85 PHE CB C 43.553 0.3 1 807 124 85 PHE CD1 C 130.710 0.3 1 808 124 85 PHE CD2 C 130.710 0.3 1 809 124 85 PHE CE1 C 131.993 0.3 1 810 124 85 PHE CE2 C 131.993 0.3 1 811 124 85 PHE CZ C 128.962 0.3 1 812 124 85 PHE N N 125.553 0.3 1 813 125 86 ASP H H 8.209 0.020 1 814 125 86 ASP HA H 5.360 0.020 1 815 125 86 ASP HB2 H 2.898 0.020 2 816 125 86 ASP HB3 H 2.623 0.020 2 817 125 86 ASP C C 179.709 0.3 1 818 125 86 ASP CA C 51.740 0.3 1 819 125 86 ASP CB C 42.300 0.3 1 820 125 86 ASP N N 119.997 0.3 1 821 126 87 VAL H H 9.664 0.020 1 822 126 87 VAL HA H 4.270 0.020 1 823 126 87 VAL HB H 2.330 0.020 1 824 126 87 VAL C C 176.244 0.3 1 825 126 87 VAL CA C 62.940 0.3 1 826 126 87 VAL CB C 31.000 0.3 1 827 126 87 VAL CG1 C 21.000 0.3 1 828 126 87 VAL CG2 C 21.700 0.3 1 829 126 87 VAL N N 118.995 0.3 1 830 127 88 LEU H H 9.011 0.020 1 831 127 88 LEU HA H 4.310 0.020 1 832 127 88 LEU HB2 H 2.331 0.020 2 833 127 88 LEU HB3 H 1.597 0.020 2 834 127 88 LEU HG H 1.620 0.020 1 835 127 88 LEU C C 178.712 0.3 1 836 127 88 LEU CA C 55.040 0.3 1 837 127 88 LEU CB C 40.600 0.3 1 838 127 88 LEU CG C 27.300 0.3 1 839 127 88 LEU CD1 C 25.000 0.3 1 840 127 88 LEU CD2 C 23.600 0.3 1 841 127 88 LEU N N 117.817 0.3 1 842 128 89 ALA H H 7.596 0.020 1 843 128 89 ALA HA H 4.180 0.020 1 844 128 89 ALA HB H 1.588 0.020 1 845 128 89 ALA C C 177.686 0.3 1 846 128 89 ALA CA C 53.640 0.3 1 847 128 89 ALA CB C 19.600 0.3 1 848 128 89 ALA N N 120.384 0.3 1 849 129 90 HIS H H 6.942 0.020 1 850 129 90 HIS HA H 4.819 0.020 1 851 129 90 HIS HB2 H 3.310 0.020 2 852 129 90 HIS HB3 H 2.949 0.020 2 853 129 90 HIS HD2 H 7.231 0.020 1 854 129 90 HIS HE1 H 7.611 0.020 1 855 129 90 HIS C C 174.185 0.3 1 856 129 90 HIS CA C 55.047 0.3 1 857 129 90 HIS CB C 34.040 0.3 1 858 129 90 HIS CD2 C 119.246 0.3 1 859 129 90 HIS CE1 C 137.786 0.3 1 860 129 90 HIS N N 113.756 0.3 1 861 130 91 PRO HA H 4.495 0.020 1 862 130 91 PRO HB2 H 2.403 0.020 1 863 130 91 PRO HB3 H 2.403 0.020 1 864 130 91 PRO HG2 H 1.923 0.020 1 865 130 91 PRO HG3 H 1.923 0.020 1 866 130 91 PRO HD2 H 3.590 0.020 2 867 130 91 PRO HD3 H 3.830 0.020 2 868 130 91 PRO C C 178.988 0.3 1 869 130 91 PRO CA C 64.681 0.3 1 870 130 91 PRO CB C 32.500 0.3 1 871 130 91 PRO CG C 27.162 0.3 1 872 130 91 PRO CD C 50.400 0.3 1 873 131 92 VAL H H 10.578 0.020 1 874 131 92 VAL HA H 4.108 0.020 1 875 131 92 VAL HB H 2.229 0.020 1 876 131 92 VAL HG1 H 1.178 0.020 2 877 131 92 VAL HG2 H 0.875 0.020 2 878 131 92 VAL C C 177.417 0.3 1 879 131 92 VAL CA C 64.498 0.3 1 880 131 92 VAL CB C 31.700 0.3 1 881 131 92 VAL CG1 C 24.266 0.3 1 882 131 92 VAL CG2 C 21.403 0.3 1 883 131 92 VAL N N 120.867 0.3 1 884 132 93 VAL H H 7.635 0.020 1 885 132 93 VAL HA H 3.530 0.020 1 886 132 93 VAL HB H 2.520 0.020 1 887 132 93 VAL HG1 H 1.152 0.020 2 888 132 93 VAL HG2 H 1.110 0.020 2 889 132 93 VAL C C 176.584 0.3 1 890 132 93 VAL CA C 66.343 0.3 1 891 132 93 VAL CB C 31.700 0.3 1 892 132 93 VAL CG1 C 22.295 0.3 1 893 132 93 VAL CG2 C 22.263 0.3 1 894 132 93 VAL N N 119.471 0.3 1 895 133 94 ARG H H 7.256 0.020 1 896 133 94 ARG HA H 3.834 0.020 1 897 133 94 ARG HB2 H 2.087 0.020 1 898 133 94 ARG HB3 H 2.087 0.020 1 899 133 94 ARG HG2 H 1.717 0.020 1 900 133 94 ARG HG3 H 1.717 0.020 1 901 133 94 ARG HD2 H 3.171 0.020 1 902 133 94 ARG HD3 H 3.171 0.020 1 903 133 94 ARG C C 176.987 0.3 1 904 133 94 ARG CA C 59.357 0.3 1 905 133 94 ARG CB C 30.900 0.3 1 906 133 94 ARG CG C 24.708 0.3 1 907 133 94 ARG CD C 43.804 0.3 1 908 133 94 ARG N N 115.440 0.3 1 909 134 95 SER H H 7.995 0.020 1 910 134 95 SER HA H 4.188 0.020 1 911 134 95 SER HB2 H 3.917 0.020 2 912 134 95 SER HB3 H 3.969 0.020 2 913 134 95 SER C C 177.047 0.3 1 914 134 95 SER CA C 60.440 0.3 1 915 134 95 SER CB C 63.000 0.3 1 916 134 95 SER N N 110.188 0.3 1 917 135 96 TYR H H 8.838 0.020 1 918 135 96 TYR HA H 4.364 0.020 1 919 135 96 TYR HB2 H 3.139 0.020 2 920 135 96 TYR HB3 H 2.771 0.020 2 921 135 96 TYR HD1 H 6.746 0.020 1 922 135 96 TYR HD2 H 6.746 0.020 1 923 135 96 TYR HE1 H 6.559 0.020 1 924 135 96 TYR HE2 H 6.559 0.020 1 925 135 96 TYR C C 177.643 0.3 1 926 135 96 TYR CA C 60.811 0.3 1 927 135 96 TYR CB C 38.816 0.3 1 928 135 96 TYR CD1 C 131.940 0.3 1 929 135 96 TYR CD2 C 131.940 0.3 1 930 135 96 TYR CE1 C 118.317 0.3 1 931 135 96 TYR CE2 C 118.317 0.3 1 932 135 96 TYR N N 123.686 0.3 1 933 136 97 VAL H H 7.742 0.020 1 934 136 97 VAL HA H 3.234 0.020 1 935 136 97 VAL HB H 1.422 0.020 1 936 136 97 VAL HG1 H 0.615 0.020 2 937 136 97 VAL HG2 H 0.010 0.020 2 938 136 97 VAL C C 176.006 0.3 1 939 136 97 VAL CA C 65.240 0.3 1 940 136 97 VAL CB C 31.100 0.3 1 941 136 97 VAL CG1 C 19.712 0.3 1 942 136 97 VAL CG2 C 21.702 0.3 1 943 136 97 VAL N N 116.112 0.3 1 944 137 98 LYS H H 6.669 0.020 1 945 137 98 LYS HA H 4.061 0.020 1 946 137 98 LYS HB2 H 1.747 0.020 1 947 137 98 LYS HB3 H 1.747 0.020 1 948 137 98 LYS C C 179.035 0.3 1 949 137 98 LYS CA C 58.340 0.3 1 950 137 98 LYS CB C 32.500 0.3 1 951 137 98 LYS CG C 25.200 0.3 1 952 137 98 LYS CD C 29.100 0.3 1 953 137 98 LYS CE C 42.100 0.3 1 954 137 98 LYS N N 117.307 0.3 1 955 138 99 GLU H H 7.425 0.020 1 956 138 99 GLU HA H 3.950 0.020 1 957 138 99 GLU HB2 H 2.099 0.020 1 958 138 99 GLU HB3 H 2.099 0.020 1 959 138 99 GLU HG2 H 2.376 0.020 1 960 138 99 GLU HG3 H 2.376 0.020 1 961 138 99 GLU C C 178.117 0.3 1 962 138 99 GLU CA C 58.140 0.3 1 963 138 99 GLU CB C 29.900 0.3 1 964 138 99 GLU CG C 36.300 0.3 1 965 138 99 GLU N N 118.700 0.3 1 966 139 100 VAL H H 7.577 0.020 1 967 139 100 VAL HA H 4.790 0.020 1 968 139 100 VAL HB H 1.777 0.020 1 969 139 100 VAL HG1 H 0.691 0.020 2 970 139 100 VAL HG2 H 0.346 0.020 2 971 139 100 VAL C C 177.593 0.3 1 972 139 100 VAL CA C 64.640 0.3 1 973 139 100 VAL CB C 32.500 0.3 1 974 139 100 VAL CG1 C 21.032 0.3 1 975 139 100 VAL CG2 C 21.042 0.3 1 976 139 100 VAL N N 117.209 0.3 1 977 140 101 SER H H 8.274 0.020 1 978 140 101 SER HA H 4.546 0.020 1 979 140 101 SER HB2 H 3.907 0.020 1 980 140 101 SER HB3 H 3.907 0.020 1 981 140 101 SER C C 174.812 0.3 1 982 140 101 SER CA C 57.899 0.3 1 983 140 101 SER CB C 64.276 0.3 1 984 140 101 SER N N 112.982 0.3 1 985 141 102 GLU H H 7.646 0.020 1 986 141 102 GLU HA H 4.236 0.020 1 987 141 102 GLU HB2 H 1.830 0.020 1 988 141 102 GLU HB3 H 1.830 0.020 1 989 141 102 GLU HG2 H 2.240 0.020 1 990 141 102 GLU HG3 H 2.240 0.020 1 991 141 102 GLU C C 174.493 0.3 1 992 141 102 GLU CA C 57.601 0.3 1 993 141 102 GLU CB C 30.431 0.3 1 994 141 102 GLU CG C 36.119 0.3 1 995 141 102 GLU N N 116.996 0.3 1 996 142 103 TRP H H 8.174 0.020 1 997 142 103 TRP HA H 4.752 0.020 1 998 142 103 TRP HB2 H 2.978 0.020 2 999 142 103 TRP HB3 H 2.749 0.020 2 1000 142 103 TRP HD1 H 7.441 0.020 1 1001 142 103 TRP HE1 H 10.120 0.020 1 1002 142 103 TRP HE3 H 7.826 0.020 1 1003 142 103 TRP HZ2 H 7.575 0.020 1 1004 142 103 TRP HZ3 H 7.245 0.020 1 1005 142 103 TRP HH2 H 7.305 0.020 1 1006 142 103 TRP C C 175.968 0.3 1 1007 142 103 TRP CA C 53.952 0.3 1 1008 142 103 TRP CD1 C 126.160 0.3 1 1009 142 103 TRP CE3 C 121.335 0.3 1 1010 142 103 TRP CZ2 C 114.902 0.3 1 1011 142 103 TRP CZ3 C 122.779 0.3 1 1012 142 103 TRP CH2 C 125.530 0.3 1 1013 142 103 TRP N N 122.475 0.3 1 1014 142 103 TRP NE1 N 129.025 0.3 1 1015 143 104 PRO HA H 4.162 0.020 1 1016 143 104 PRO HB2 H 2.103 0.020 1 1017 143 104 PRO HB3 H 2.103 0.020 1 1018 143 104 PRO HG2 H 0.943 0.020 1 1019 143 104 PRO HG3 H 0.943 0.020 1 1020 143 104 PRO CA C 61.854 0.3 1 1021 143 104 PRO CB C 32.835 0.3 1 1022 143 104 PRO CG C 27.300 0.3 1 1023 144 105 THR H H 8.141 0.020 1 1024 144 105 THR HA H 4.320 0.020 1 1025 144 105 THR HB H 4.142 0.020 1 1026 144 105 THR HG2 H 1.138 0.020 1 1027 144 105 THR C C 173.184 0.3 1 1028 144 105 THR CA C 61.240 0.3 1 1029 144 105 THR CB C 70.005 0.3 1 1030 144 105 THR CG2 C 21.442 0.3 1 1031 144 105 THR N N 117.820 0.3 1 1032 145 106 ILE H H 8.209 0.020 1 1033 145 106 ILE HA H 4.280 0.020 1 1034 145 106 ILE HB H 1.660 0.020 1 1035 145 106 ILE C C 173.607 0.3 1 1036 145 106 ILE CB C 31.817 0.3 1 1037 145 106 ILE CG1 C 27.400 0.3 1 1038 145 106 ILE N N 121.907 0.3 1 1039 146 107 PRO HA H 5.532 0.020 1 1040 146 107 PRO HB2 H 2.653 0.020 2 1041 146 107 PRO HB3 H 2.294 0.020 2 1042 146 107 PRO HG2 H 1.750 0.020 1 1043 146 107 PRO HG3 H 1.750 0.020 1 1044 146 107 PRO HD2 H 3.498 0.020 1 1045 146 107 PRO HD3 H 3.498 0.020 1 1046 146 107 PRO C C 175.414 0.3 1 1047 146 107 PRO CA C 61.940 0.3 1 1048 146 107 PRO CB C 38.376 0.3 1 1049 146 107 PRO CG C 25.114 0.3 1 1050 146 107 PRO CD C 50.923 0.3 1 1051 147 108 GLN H H 8.511 0.020 1 1052 147 108 GLN HA H 5.030 0.020 1 1053 147 108 GLN HB2 H 2.573 0.020 1 1054 147 108 GLN HB3 H 2.573 0.020 1 1055 147 108 GLN HG2 H 2.618 0.020 1 1056 147 108 GLN HG3 H 2.618 0.020 1 1057 147 108 GLN HE21 H 6.154 0.020 1 1058 147 108 GLN HE22 H 6.154 0.020 1 1059 147 108 GLN C C 174.531 0.3 1 1060 147 108 GLN CA C 55.538 0.3 1 1061 147 108 GLN CB C 34.700 0.3 1 1062 147 108 GLN CG C 34.400 0.3 1 1063 147 108 GLN N N 113.036 0.3 1 1064 147 108 GLN NE2 N 106.369 0.3 1 1065 148 109 LEU H H 8.215 0.020 1 1066 148 109 LEU HA H 5.350 0.020 1 1067 148 109 LEU HB2 H 1.665 0.020 2 1068 148 109 LEU HB3 H 1.318 0.020 2 1069 148 109 LEU HG H 1.332 0.020 1 1070 148 109 LEU HD1 H 0.678 0.020 2 1071 148 109 LEU HD2 H 0.995 0.020 2 1072 148 109 LEU C C 172.578 0.3 1 1073 148 109 LEU CA C 54.142 0.3 1 1074 148 109 LEU CB C 46.820 0.3 1 1075 148 109 LEU CG C 27.639 0.3 1 1076 148 109 LEU CD1 C 25.949 0.3 1 1077 148 109 LEU CD2 C 24.111 0.3 1 1078 148 109 LEU N N 124.087 0.3 1 1079 149 110 PHE H H 9.700 0.020 1 1080 149 110 PHE HA H 5.260 0.020 1 1081 149 110 PHE HB2 H 3.310 0.020 2 1082 149 110 PHE HB3 H 2.687 0.020 2 1083 149 110 PHE HD1 H 7.027 0.020 1 1084 149 110 PHE HD2 H 7.027 0.020 1 1085 149 110 PHE HE1 H 6.931 0.020 1 1086 149 110 PHE HE2 H 6.931 0.020 1 1087 149 110 PHE HZ H 7.206 0.020 1 1088 149 110 PHE C C 174.486 0.3 1 1089 149 110 PHE CA C 56.540 0.3 1 1090 149 110 PHE CB C 42.500 0.3 1 1091 149 110 PHE CD1 C 131.406 0.3 1 1092 149 110 PHE CD2 C 131.406 0.3 1 1093 149 110 PHE CE1 C 130.906 0.3 1 1094 149 110 PHE CE2 C 130.906 0.3 1 1095 149 110 PHE CZ C 129.838 0.3 1 1096 149 110 PHE N N 126.608 0.3 1 1097 150 111 ILE H H 8.671 0.020 1 1098 150 111 ILE HA H 5.150 0.020 1 1099 150 111 ILE HB H 1.560 0.020 1 1100 150 111 ILE HG12 H 1.498 0.020 2 1101 150 111 ILE HG13 H 1.162 0.020 2 1102 150 111 ILE HG2 H 0.781 0.020 1 1103 150 111 ILE HD1 H 0.781 0.020 1 1104 150 111 ILE C C 176.244 0.3 1 1105 150 111 ILE CA C 58.856 0.3 1 1106 150 111 ILE CB C 40.900 0.3 1 1107 150 111 ILE CG1 C 27.739 0.3 1 1108 150 111 ILE CG2 C 16.912 0.3 1 1109 150 111 ILE CD1 C 13.207 0.3 1 1110 150 111 ILE N N 118.234 0.3 1 1111 151 112 LYS H H 10.306 0.020 1 1112 151 112 LYS HA H 4.182 0.020 1 1113 151 112 LYS HB2 H 2.197 0.020 2 1114 151 112 LYS HB3 H 1.724 0.020 2 1115 151 112 LYS C C 175.791 0.3 1 1116 151 112 LYS CA C 56.306 0.3 1 1117 151 112 LYS CB C 30.467 0.3 1 1118 151 112 LYS CG C 25.662 0.3 1 1119 151 112 LYS CD C 29.100 0.3 1 1120 151 112 LYS N N 128.715 0.3 1 1121 152 113 ALA H H 9.603 0.020 1 1122 152 113 ALA HA H 3.853 0.020 1 1123 152 113 ALA HB H 1.658 0.020 1 1124 152 113 ALA C C 175.876 0.3 1 1125 152 113 ALA CA C 53.218 0.3 1 1126 152 113 ALA CB C 18.532 0.3 1 1127 152 113 ALA N N 114.135 0.3 1 1128 153 114 GLU H H 8.151 0.020 1 1129 153 114 GLU HA H 4.742 0.020 1 1130 153 114 GLU HB2 H 1.996 0.020 1 1131 153 114 GLU HB3 H 1.996 0.020 1 1132 153 114 GLU HG2 H 2.320 0.020 2 1133 153 114 GLU HG3 H 2.190 0.020 2 1134 153 114 GLU C C 175.215 0.3 1 1135 153 114 GLU CA C 54.140 0.3 1 1136 153 114 GLU CB C 32.574 0.3 1 1137 153 114 GLU CG C 36.108 0.3 1 1138 153 114 GLU N N 119.557 0.3 1 1139 154 115 PHE H H 8.968 0.020 1 1140 154 115 PHE HA H 3.510 0.020 1 1141 154 115 PHE HB2 H 2.659 0.020 1 1142 154 115 PHE HB3 H 2.659 0.020 1 1143 154 115 PHE HD1 H 6.430 0.020 1 1144 154 115 PHE HD2 H 6.430 0.020 1 1145 154 115 PHE C C 175.096 0.3 1 1146 154 115 PHE CA C 57.540 0.3 1 1147 154 115 PHE CB C 38.500 0.3 1 1148 154 115 PHE CD1 C 132.000 0.3 1 1149 154 115 PHE CD2 C 132.000 0.3 1 1150 154 115 PHE N N 124.744 0.3 1 1151 155 116 VAL H H 8.236 0.020 1 1152 155 116 VAL HA H 3.680 0.020 1 1153 155 116 VAL HB H 1.390 0.020 1 1154 155 116 VAL HG1 H 0.728 0.020 2 1155 155 116 VAL HG2 H 0.557 0.020 2 1156 155 116 VAL C C 174.397 0.3 1 1157 155 116 VAL CA C 62.240 0.3 1 1158 155 116 VAL CB C 32.800 0.3 1 1159 155 116 VAL CG1 C 21.784 0.3 1 1160 155 116 VAL CG2 C 21.529 0.3 1 1161 155 116 VAL N N 127.744 0.3 1 1162 156 117 GLY H H 5.561 0.020 1 1163 156 117 GLY HA2 H 3.595 0.020 2 1164 156 117 GLY HA3 H 2.790 0.020 2 1165 156 117 GLY C C 172.700 0.3 1 1166 156 117 GLY CA C 45.240 0.3 1 1167 156 117 GLY N N 99.768 0.3 1 1168 157 118 GLY H H 6.798 0.020 1 1169 157 118 GLY HA2 H 4.807 0.020 2 1170 157 118 GLY HA3 H 3.690 0.020 2 1171 157 118 GLY C C 173.515 0.3 1 1172 157 118 GLY CA C 43.240 0.3 1 1173 157 118 GLY N N 102.909 0.3 1 1174 158 119 LEU H H 8.619 0.020 1 1175 158 119 LEU HA H 4.300 0.020 1 1176 158 119 LEU HB2 H 2.666 0.020 2 1177 158 119 LEU HB3 H 2.666 0.020 2 1178 158 119 LEU HG H 1.620 0.020 1 1179 158 119 LEU C C 171.925 0.3 1 1180 158 119 LEU CA C 57.840 0.3 1 1181 158 119 LEU CG C 27.300 0.3 1 1182 158 119 LEU CD1 C 25.000 0.3 1 1183 158 119 LEU CD2 C 23.600 0.3 1 1184 158 119 LEU N N 117.268 0.3 1 1185 159 120 ASP HA H 4.854 0.020 1 1186 159 120 ASP HB2 H 3.113 0.020 1 1187 159 120 ASP HB3 H 3.113 0.020 1 1188 159 120 ASP CA C 53.971 0.3 1 1189 159 120 ASP CB C 39.800 0.3 1 1190 160 121 ILE H H 7.714 0.020 1 1191 160 121 ILE HA H 3.830 0.020 1 1192 160 121 ILE HB H 1.569 0.020 1 1193 160 121 ILE HG12 H 1.410 0.020 2 1194 160 121 ILE HG13 H 1.250 0.020 2 1195 160 121 ILE HD1 H 0.736 0.020 1 1196 160 121 ILE C C 177.522 0.3 1 1197 160 121 ILE CA C 62.540 0.3 1 1198 160 121 ILE CB C 37.711 0.3 1 1199 160 121 ILE CG1 C 28.621 0.3 1 1200 160 121 ILE CG2 C 17.797 0.3 1 1201 160 121 ILE CD1 C 11.587 0.3 1 1202 160 121 ILE N N 119.639 0.3 1 1203 161 122 VAL H H 7.799 0.020 1 1204 161 122 VAL HA H 3.298 0.020 1 1205 161 122 VAL HB H 1.940 0.020 1 1206 161 122 VAL HG1 H 0.656 0.020 2 1207 161 122 VAL HG2 H 0.763 0.020 2 1208 161 122 VAL C C 177.544 0.3 1 1209 161 122 VAL CA C 67.342 0.3 1 1210 161 122 VAL CB C 31.800 0.3 1 1211 161 122 VAL CG1 C 24.664 0.3 1 1212 161 122 VAL CG2 C 20.845 0.3 1 1213 161 122 VAL N N 120.120 0.3 1 1214 162 123 THR H H 8.679 0.020 1 1215 162 123 THR HA H 3.821 0.020 1 1216 162 123 THR HB H 4.309 0.020 1 1217 162 123 THR HG2 H 1.226 0.020 1 1218 162 123 THR C C 176.852 0.3 1 1219 162 123 THR CA C 66.491 0.3 1 1220 162 123 THR CB C 68.700 0.3 1 1221 162 123 THR CG2 C 21.312 0.3 1 1222 162 123 THR N N 112.561 0.3 1 1223 163 124 LYS H H 7.627 0.020 1 1224 163 124 LYS HA H 4.129 0.020 1 1225 163 124 LYS HB2 H 1.975 0.020 1 1226 163 124 LYS HB3 H 1.975 0.020 1 1227 163 124 LYS HG2 H 1.442 0.020 1 1228 163 124 LYS HG3 H 1.442 0.020 1 1229 163 124 LYS HD2 H 1.635 0.020 1 1230 163 124 LYS HD3 H 1.635 0.020 1 1231 163 124 LYS HE2 H 2.950 0.020 1 1232 163 124 LYS HE3 H 2.950 0.020 1 1233 163 124 LYS C C 179.533 0.3 1 1234 163 124 LYS CA C 59.419 0.3 1 1235 163 124 LYS CB C 31.930 0.3 1 1236 163 124 LYS CG C 25.025 0.3 1 1237 163 124 LYS CD C 29.100 0.3 1 1238 163 124 LYS CE C 42.101 0.3 1 1239 163 124 LYS N N 123.302 0.3 1 1240 164 125 MET H H 8.528 0.020 1 1241 164 125 MET HA H 4.330 0.020 1 1242 164 125 MET HB2 H 2.060 0.020 2 1243 164 125 MET HB3 H 1.928 0.020 2 1244 164 125 MET C C 179.575 0.3 1 1245 164 125 MET CA C 58.197 0.3 1 1246 164 125 MET CB C 34.500 0.3 1 1247 164 125 MET N N 117.831 0.3 1 1248 165 126 LEU H H 8.741 0.020 1 1249 165 126 LEU HA H 4.190 0.020 1 1250 165 126 LEU HB2 H 2.212 0.020 1 1251 165 126 LEU HB3 H 2.212 0.020 1 1252 165 126 LEU HD1 H 0.980 0.020 2 1253 165 126 LEU HD2 H 0.939 0.020 2 1254 165 126 LEU C C 179.559 0.3 1 1255 165 126 LEU CA C 57.633 0.3 1 1256 165 126 LEU CB C 41.922 0.3 1 1257 165 126 LEU CD1 C 25.918 0.3 1 1258 165 126 LEU CD2 C 23.327 0.3 1 1259 165 126 LEU N N 124.217 0.3 1 1260 166 127 GLU H H 7.975 0.020 1 1261 166 127 GLU HA H 4.020 0.020 1 1262 166 127 GLU HB2 H 2.149 0.020 1 1263 166 127 GLU HB3 H 2.149 0.020 1 1264 166 127 GLU HG2 H 2.488 0.020 2 1265 166 127 GLU HG3 H 2.303 0.020 2 1266 166 127 GLU C C 178.227 0.3 1 1267 166 127 GLU CA C 58.584 0.3 1 1268 166 127 GLU CB C 30.000 0.3 1 1269 166 127 GLU CG C 36.300 0.3 1 1270 166 127 GLU N N 118.521 0.3 1 1271 167 128 SER H H 8.300 0.020 1 1272 167 128 SER HA H 4.423 0.020 1 1273 167 128 SER HB2 H 4.137 0.020 2 1274 167 128 SER HB3 H 3.961 0.020 2 1275 167 128 SER C C 175.842 0.3 1 1276 167 128 SER CA C 58.940 0.3 1 1277 167 128 SER CB C 64.500 0.3 1 1278 167 128 SER N N 110.944 0.3 1 1279 168 129 GLY H H 7.400 0.020 1 1280 168 129 GLY HA2 H 4.580 0.020 2 1281 168 129 GLY HA3 H 4.080 0.020 2 1282 168 129 GLY C C 174.787 0.3 1 1283 168 129 GLY CA C 45.140 0.3 1 1284 168 129 GLY N N 108.729 0.3 1 1285 169 130 ASP H H 8.319 0.020 1 1286 169 130 ASP HA H 4.470 0.020 1 1287 169 130 ASP HB2 H 2.747 0.020 2 1288 169 130 ASP HB3 H 2.599 0.020 2 1289 169 130 ASP C C 178.385 0.3 1 1290 169 130 ASP CA C 57.240 0.3 1 1291 169 130 ASP CB C 40.999 0.3 1 1292 169 130 ASP N N 122.184 0.3 1 1293 170 131 LEU H H 7.970 0.020 1 1294 170 131 LEU HA H 4.071 0.020 1 1295 170 131 LEU HB2 H 1.810 0.020 2 1296 170 131 LEU HB3 H 1.110 0.020 2 1297 170 131 LEU HD1 H 0.765 0.020 1 1298 170 131 LEU C C 176.956 0.3 1 1299 170 131 LEU CA C 57.705 0.3 1 1300 170 131 LEU CB C 41.200 0.3 1 1301 170 131 LEU CD1 C 22.501 0.3 1 1302 170 131 LEU N N 121.843 0.3 1 1303 171 132 LYS H H 8.249 0.020 1 1304 171 132 LYS HA H 3.920 0.020 1 1305 171 132 LYS HB2 H 1.790 0.020 1 1306 171 132 LYS HB3 H 1.790 0.020 1 1307 171 132 LYS HG2 H 1.510 0.020 2 1308 171 132 LYS HG3 H 1.380 0.020 2 1309 171 132 LYS HD2 H 1.718 0.020 2 1310 171 132 LYS HD3 H 1.653 0.020 2 1311 171 132 LYS HE2 H 2.989 0.020 1 1312 171 132 LYS HE3 H 2.989 0.020 1 1313 171 132 LYS C C 178.061 0.3 1 1314 171 132 LYS CA C 59.540 0.3 1 1315 171 132 LYS CB C 32.232 0.3 1 1316 171 132 LYS CG C 25.200 0.3 1 1317 171 132 LYS CD C 29.100 0.3 1 1318 171 132 LYS CE C 42.100 0.3 1 1319 171 132 LYS N N 117.765 0.3 1 1320 172 133 LYS H H 7.378 0.020 1 1321 172 133 LYS HA H 3.335 0.020 1 1322 172 133 LYS HB2 H 1.476 0.020 1 1323 172 133 LYS HB3 H 1.476 0.020 1 1324 172 133 LYS HG2 H 1.200 0.020 1 1325 172 133 LYS HG3 H 1.200 0.020 1 1326 172 133 LYS HD2 H 1.345 0.020 1 1327 172 133 LYS HD3 H 1.345 0.020 1 1328 172 133 LYS C C 177.424 0.3 1 1329 172 133 LYS CA C 59.931 0.3 1 1330 172 133 LYS CB C 32.672 0.3 1 1331 172 133 LYS CG C 25.140 0.3 1 1332 172 133 LYS CD C 29.769 0.3 1 1333 172 133 LYS CE C 41.919 0.3 1 1334 172 133 LYS N N 117.160 0.3 1 1335 173 134 MET H H 7.914 0.020 1 1336 173 134 MET HA H 4.123 0.020 1 1337 173 134 MET HB2 H 2.238 0.020 1 1338 173 134 MET HB3 H 2.238 0.020 1 1339 173 134 MET HG2 H 2.138 0.020 1 1340 173 134 MET HG3 H 2.138 0.020 1 1341 173 134 MET HE H 1.879 0.020 1 1342 173 134 MET C C 177.866 0.3 1 1343 173 134 MET CA C 58.579 0.3 1 1344 173 134 MET CB C 32.035 0.3 1 1345 173 134 MET N N 118.918 0.3 1 1346 174 135 LEU H H 8.111 0.020 1 1347 174 135 LEU HA H 3.772 0.020 1 1348 174 135 LEU HB2 H 2.009 0.020 1 1349 174 135 LEU HB3 H 2.009 0.020 1 1350 174 135 LEU HG H 1.405 0.020 1 1351 174 135 LEU HD1 H 0.816 0.020 1 1352 174 135 LEU HD2 H 0.816 0.020 1 1353 174 135 LEU C C 178.460 0.3 1 1354 174 135 LEU CA C 58.346 0.3 1 1355 174 135 LEU CB C 41.041 0.3 1 1356 174 135 LEU CG C 27.670 0.3 1 1357 174 135 LEU CD1 C 24.044 0.3 1 1358 174 135 LEU CD2 C 23.600 0.3 1 1359 174 135 LEU N N 117.694 0.3 1 1360 175 136 ARG H H 8.051 0.020 1 1361 175 136 ARG HA H 4.130 0.020 1 1362 175 136 ARG HB2 H 1.960 0.020 1 1363 175 136 ARG HB3 H 1.960 0.020 1 1364 175 136 ARG HG2 H 1.830 0.020 1 1365 175 136 ARG HG3 H 1.830 0.020 1 1366 175 136 ARG HD2 H 3.213 0.020 1 1367 175 136 ARG HD3 H 3.213 0.020 1 1368 175 136 ARG C C 180.989 0.3 1 1369 175 136 ARG CA C 58.983 0.3 1 1370 175 136 ARG CB C 29.479 0.3 1 1371 175 136 ARG CG C 27.304 0.3 1 1372 175 136 ARG CD C 43.268 0.3 1 1373 175 136 ARG N N 118.308 0.3 1 1374 176 137 ASP H H 8.797 0.020 1 1375 176 137 ASP HA H 4.394 0.020 1 1376 176 137 ASP HB2 H 2.898 0.020 2 1377 176 137 ASP HB3 H 2.693 0.020 2 1378 176 137 ASP C C 178.403 0.3 1 1379 176 137 ASP CA C 56.940 0.3 1 1380 176 137 ASP CB C 40.430 0.3 1 1381 176 137 ASP N N 122.050 0.3 1 1382 177 138 LYS H H 7.842 0.020 1 1383 177 138 LYS HA H 4.380 0.020 1 1384 177 138 LYS HB2 H 2.016 0.020 2 1385 177 138 LYS HB3 H 1.833 0.020 2 1386 177 138 LYS HG2 H 1.536 0.020 1 1387 177 138 LYS C C 176.153 0.3 1 1388 177 138 LYS CA C 55.303 0.3 1 1389 177 138 LYS CB C 32.800 0.3 1 1390 177 138 LYS CG C 25.200 0.3 1 1391 177 138 LYS CD C 29.100 0.3 1 1392 177 138 LYS CE C 43.088 0.3 1 1393 177 138 LYS N N 115.743 0.3 1 1394 178 139 GLY H H 7.919 0.020 1 1395 178 139 GLY HA2 H 4.030 0.020 2 1396 178 139 GLY HA3 H 3.844 0.020 2 1397 178 139 GLY C C 174.337 0.3 1 1398 178 139 GLY CA C 46.040 0.3 1 1399 178 139 GLY N N 108.117 0.3 1 1400 179 140 ILE H H 8.319 0.020 1 1401 179 140 ILE HA H 4.115 0.020 1 1402 179 140 ILE HB H 1.640 0.020 1 1403 179 140 ILE HG12 H 1.011 0.020 1 1404 179 140 ILE HG13 H 1.011 0.020 1 1405 179 140 ILE HG2 H 0.918 0.020 1 1406 179 140 ILE HD1 H 0.831 0.020 1 1407 179 140 ILE C C 175.245 0.3 1 1408 179 140 ILE CA C 60.440 0.3 1 1409 179 140 ILE CB C 38.706 0.3 1 1410 179 140 ILE CG1 C 27.400 0.3 1 1411 179 140 ILE CG2 C 17.792 0.3 1 1412 179 140 ILE CD1 C 14.962 0.3 1 1413 179 140 ILE N N 122.763 0.3 1 1414 180 141 THR H H 8.526 0.020 1 1415 180 141 THR HA H 4.120 0.020 1 1416 180 141 THR HB H 4.091 0.020 1 1417 180 141 THR HG2 H 1.205 0.020 1 1418 180 141 THR C C 173.087 0.3 1 1419 180 141 THR CA C 62.840 0.3 1 1420 180 141 THR CB C 69.710 0.3 1 1421 180 141 THR CG2 C 21.800 0.3 1 1422 180 141 THR N N 123.179 0.3 1 1423 181 142 CYS H H 8.249 0.020 1 1424 181 142 CYS HA H 4.860 0.020 1 1425 181 142 CYS HB2 H 3.030 0.020 2 1426 181 142 CYS HB3 H 2.925 0.020 2 1427 181 142 CYS C C 173.682 0.3 1 1428 181 142 CYS CA C 56.340 0.3 1 1429 181 142 CYS CB C 30.700 0.3 1 1430 181 142 CYS N N 120.226 0.3 1 1431 182 143 ARG H H 8.507 0.020 1 1432 182 143 ARG HA H 4.284 0.020 1 1433 182 143 ARG HB2 H 1.826 0.020 2 1434 182 143 ARG HB3 H 1.726 0.020 2 1435 182 143 ARG HG2 H 1.605 0.020 1 1436 182 143 ARG HG3 H 1.605 0.020 1 1437 182 143 ARG HD2 H 3.185 0.020 1 1438 182 143 ARG HD3 H 3.185 0.020 1 1439 182 143 ARG C C 175.509 0.3 1 1440 182 143 ARG CA C 56.260 0.3 1 1441 182 143 ARG CB C 31.191 0.3 1 1442 182 143 ARG CG C 27.437 0.3 1 1443 182 143 ARG CD C 43.309 0.3 1 1444 182 143 ARG N N 121.914 0.3 1 1445 183 144 ASP H H 8.409 0.020 1 1446 183 144 ASP HA H 4.602 0.020 1 1447 183 144 ASP HB2 H 2.762 0.020 2 1448 183 144 ASP HB3 H 2.544 0.020 2 1449 183 144 ASP C C 174.843 0.3 1 1450 183 144 ASP CA C 53.940 0.3 1 1451 183 144 ASP CB C 41.100 0.3 1 1452 183 144 ASP N N 121.052 0.3 1 1453 184 145 LEU H H 7.760 0.020 1 1454 184 145 LEU HA H 4.140 0.020 1 1455 184 145 LEU HB2 H 1.570 0.020 2 1456 184 145 LEU HB3 H 1.570 0.020 2 1457 184 145 LEU HG H 0.881 0.020 1 1458 184 145 LEU C C 182.270 0.3 1 1459 184 145 LEU CA C 56.510 0.3 1 1460 184 145 LEU CB C 43.787 0.3 1 1461 184 145 LEU N N 127.944 0.3 1 stop_ save_