data_19834 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; New Cyt-like delta-endotoxins from Dickeya dadantii - CytC protein ; _BMRB_accession_number 19834 _BMRB_flat_file_name bmr19834.str _Entry_type original _Submission_date 2014-03-05 _Accession_date 2014-03-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Loth Karine . . 2 Costechareyre Denis . . 3 Effantin Geraldine . . 4 Rahbe Yvan . . 5 Contemine Guy . . 6 Landon Celine . . 7 'Da Silva' Pedro . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 939 "13C chemical shifts" 727 "15N chemical shifts" 215 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-02-16 original author . stop_ _Original_release_date 2015-02-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'New Cyt-like delta-endotoxins from Dickeya dadantii : structure and aphicidal activity' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Loth Karine . . 2 Costechareyre Denis . . 3 Effantin Geraldine . . 4 Rahbe Yvan . . 5 Contdemine Guy . . 6 Landon Celine . . 7 'Da Silva' Pedro . . stop_ _Journal_abbreviation JBC _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'New Cyt-like delta-endotoxins from Dickeya dadantii - CytC protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 22412.430 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 203 _Mol_residue_sequence ; MSIEIYPDDGNTLPYQVFLN LENEHYYAQAIQLAQLFAHE VDDNGQLDLAKALKKAQAQP DLAIIATNNMTLKKSFSTLS ALTTTLSEQLKIEGVLGISQ DTYIQNILSHAFCDLETQKD KPWFHINAQPDAGHSVTSYS YSLFIVSQGEETGAMMAAGP LIITVTPNTAISDIFNTKDW RLTLQKEEITIGVKGFQVVT PLG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 ILE 4 4 GLU 5 5 ILE 6 6 TYR 7 7 PRO 8 8 ASP 9 9 ASP 10 10 GLY 11 11 ASN 12 12 THR 13 13 LEU 14 14 PRO 15 15 TYR 16 16 GLN 17 17 VAL 18 18 PHE 19 19 LEU 20 20 ASN 21 21 LEU 22 22 GLU 23 23 ASN 24 24 GLU 25 25 HIS 26 26 TYR 27 27 TYR 28 28 ALA 29 29 GLN 30 30 ALA 31 31 ILE 32 32 GLN 33 33 LEU 34 34 ALA 35 35 GLN 36 36 LEU 37 37 PHE 38 38 ALA 39 39 HIS 40 40 GLU 41 41 VAL 42 42 ASP 43 43 ASP 44 44 ASN 45 45 GLY 46 46 GLN 47 47 LEU 48 48 ASP 49 49 LEU 50 50 ALA 51 51 LYS 52 52 ALA 53 53 LEU 54 54 LYS 55 55 LYS 56 56 ALA 57 57 GLN 58 58 ALA 59 59 GLN 60 60 PRO 61 61 ASP 62 62 LEU 63 63 ALA 64 64 ILE 65 65 ILE 66 66 ALA 67 67 THR 68 68 ASN 69 69 ASN 70 70 MET 71 71 THR 72 72 LEU 73 73 LYS 74 74 LYS 75 75 SER 76 76 PHE 77 77 SER 78 78 THR 79 79 LEU 80 80 SER 81 81 ALA 82 82 LEU 83 83 THR 84 84 THR 85 85 THR 86 86 LEU 87 87 SER 88 88 GLU 89 89 GLN 90 90 LEU 91 91 LYS 92 92 ILE 93 93 GLU 94 94 GLY 95 95 VAL 96 96 LEU 97 97 GLY 98 98 ILE 99 99 SER 100 100 GLN 101 101 ASP 102 102 THR 103 103 TYR 104 104 ILE 105 105 GLN 106 106 ASN 107 107 ILE 108 108 LEU 109 109 SER 110 110 HIS 111 111 ALA 112 112 PHE 113 113 CYS 114 114 ASP 115 115 LEU 116 116 GLU 117 117 THR 118 118 GLN 119 119 LYS 120 120 ASP 121 121 LYS 122 122 PRO 123 123 TRP 124 124 PHE 125 125 HIS 126 126 ILE 127 127 ASN 128 128 ALA 129 129 GLN 130 130 PRO 131 131 ASP 132 132 ALA 133 133 GLY 134 134 HIS 135 135 SER 136 136 VAL 137 137 THR 138 138 SER 139 139 TYR 140 140 SER 141 141 TYR 142 142 SER 143 143 LEU 144 144 PHE 145 145 ILE 146 146 VAL 147 147 SER 148 148 GLN 149 149 GLY 150 150 GLU 151 151 GLU 152 152 THR 153 153 GLY 154 154 ALA 155 155 MET 156 156 MET 157 157 ALA 158 158 ALA 159 159 GLY 160 160 PRO 161 161 LEU 162 162 ILE 163 163 ILE 164 164 THR 165 165 VAL 166 166 THR 167 167 PRO 168 168 ASN 169 169 THR 170 170 ALA 171 171 ILE 172 172 SER 173 173 ASP 174 174 ILE 175 175 PHE 176 176 ASN 177 177 THR 178 178 LYS 179 179 ASP 180 180 TRP 181 181 ARG 182 182 LEU 183 183 THR 184 184 LEU 185 185 GLN 186 186 LYS 187 187 GLU 188 188 GLU 189 189 ILE 190 190 THR 191 191 ILE 192 192 GLY 193 193 VAL 194 194 LYS 195 195 GLY 196 196 PHE 197 197 GLN 198 198 VAL 199 199 VAL 200 200 THR 201 201 PRO 202 202 LEU 203 203 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-12 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 PDB 2MLW "New Cyt-like Delta-endotoxins From Dickeya Dadantii - Cytc Protein" 100.00 203 100.00 100.00 4.07e-146 GB ADM96668 "Type-1Ba cytolytic delta-endotoxin [Dickeya dadantii 3937]" 100.00 203 100.00 100.00 4.07e-146 GB ERO59479 "Type-1Ba cytolytic delta-endotoxin [Dickeya solani D s0432-1]" 100.00 203 99.01 99.51 1.25e-144 REF WP_013316150 "type-1Ba cytolytic delta-endotoxin [Dickeya dadantii]" 100.00 203 100.00 100.00 4.07e-146 REF WP_022631959 "type 1Ba cytolytic delta-endotoxin [Dickeya solani]" 100.00 203 99.01 99.51 1.25e-144 REF WP_038900160 "type-1Ba cytolytic delta-endotoxin [Dickeya dadantii]" 100.00 203 99.01 100.00 6.47e-145 REF WP_038910128 "type-1Ba cytolytic delta-endotoxin [Dickeya dadantii]" 100.00 203 99.01 100.00 6.55e-145 REF WP_038921535 "type-1Ba cytolytic delta-endotoxin [Dickeya dadantii]" 100.00 203 99.51 100.00 1.72e-145 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity enterobacteria 204038 Bacteria . Dickeya dadantii 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 $entity 'recombinant technology' . Escherichia coli NM522 pGEX 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 $entity 0.3 mM '[U-13C; U-15N]' TRIS 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' DTT 5 mM 'natural abundance' EDTA 90 % 'natural abundance' DTT 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version 2.1.5 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . M pH 7.0 . 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 '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HN(CO)CA' 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 entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 3.777 . . 2 1 1 MET HB2 H 1.378 . . 3 1 1 MET HB3 H 1.378 . . 4 1 1 MET C C 173.997 . . 5 1 1 MET CA C 45.479 . . 6 2 2 SER H H 8.128 . . 7 2 2 SER HA H 4.699 . . 8 2 2 SER HB2 H 5.321 . . 9 2 2 SER HB3 H 5.289 . . 10 2 2 SER HG H 1.658 . . 11 2 2 SER C C 173.682 . . 12 2 2 SER CA C 58.139 . . 13 2 2 SER CB C 64.156 . . 14 2 2 SER N N 110.845 . . 15 3 3 ILE H H 7.989 . . 16 3 3 ILE HA H 4.472 . . 17 3 3 ILE HB H 1.754 . . 18 3 3 ILE HG12 H 1.064 . . 19 3 3 ILE HG13 H 1.280 . . 20 3 3 ILE HG2 H 0.811 . . 21 3 3 ILE HD1 H 0.682 . . 22 3 3 ILE C C 175.412 . . 23 3 3 ILE CA C 60.092 . . 24 3 3 ILE CB C 38.674 . . 25 3 3 ILE CG1 C 27.367 . . 26 3 3 ILE CG2 C 17.924 . . 27 3 3 ILE CD1 C 12.979 . . 28 3 3 ILE N N 121.740 . . 29 4 4 GLU H H 8.470 . . 30 4 4 GLU HA H 4.536 . . 31 4 4 GLU HB2 H 1.934 . . 32 4 4 GLU HB3 H 1.933 . . 33 4 4 GLU HG2 H 2.144 . . 34 4 4 GLU HG3 H 2.150 . . 35 4 4 GLU C C 174.727 . . 36 4 4 GLU CA C 55.310 . . 37 4 4 GLU CB C 32.012 . . 38 4 4 GLU CG C 35.851 . . 39 4 4 GLU N N 125.919 . . 40 5 5 ILE H H 8.222 . . 41 5 5 ILE HA H 4.380 . . 42 5 5 ILE HB H 1.408 . . 43 5 5 ILE HG12 H 1.267 . . 44 5 5 ILE HG13 H 1.393 . . 45 5 5 ILE HG2 H 0.442 . . 46 5 5 ILE HD1 H -0.066 . . 47 5 5 ILE C C 178.551 . . 48 5 5 ILE CA C 59.914 . . 49 5 5 ILE CB C 39.507 . . 50 5 5 ILE CG1 C 26.653 . . 51 5 5 ILE CG2 C 17.114 . . 52 5 5 ILE N N 123.008 . . 53 6 6 TYR H H 7.513 . . 54 6 6 TYR HA H 4.147 . . 55 6 6 TYR HB2 H 2.043 . . 56 6 6 TYR HB3 H 2.119 . . 57 6 6 TYR HD1 H 9.154 . . 58 6 6 TYR HD2 H 9.154 . . 59 6 6 TYR HE1 H 7.763 . . 60 6 6 TYR HE2 H 7.763 . . 61 6 6 TYR CA C 63.733 . . 62 6 6 TYR N N 109.451 . . 63 7 7 PRO HA H 4.299 . . 64 7 7 PRO HB2 H 2.038 . . 65 7 7 PRO HB3 H 2.038 . . 66 7 7 PRO HG2 H 2.123 . . 67 7 7 PRO HG3 H 2.123 . . 68 7 7 PRO HD2 H 3.650 . . 69 7 7 PRO HD3 H 3.650 . . 70 7 7 PRO C C 174.342 . . 71 7 7 PRO CA C 56.962 . . 72 7 7 PRO CB C 34.507 . . 73 7 7 PRO CG C 36.024 . . 74 7 7 PRO CD C 54.837 . . 75 8 8 ASP H H 7.904 . . 76 8 8 ASP HA H 4.704 . . 77 8 8 ASP HB2 H 2.853 . . 78 8 8 ASP HB3 H 2.558 . . 79 8 8 ASP C C 176.579 . . 80 8 8 ASP CA C 53.354 . . 81 8 8 ASP CB C 40.121 . . 82 8 8 ASP N N 117.358 . . 83 9 9 ASP H H 8.196 . . 84 9 9 ASP HA H 4.323 . . 85 9 9 ASP HB2 H 2.652 . . 86 9 9 ASP HB3 H 2.556 . . 87 9 9 ASP C C 177.323 . . 88 9 9 ASP CA C 56.284 . . 89 9 9 ASP CB C 40.717 . . 90 9 9 ASP N N 121.829 . . 91 10 10 GLY H H 8.569 . . 92 10 10 GLY HA2 H 3.958 . . 93 10 10 GLY HA3 H 3.764 . . 94 10 10 GLY C C 174.186 . . 95 10 10 GLY CA C 45.278 . . 96 10 10 GLY N N 107.549 . . 97 11 11 ASN H H 8.401 . . 98 11 11 ASN HA H 4.500 . . 99 11 11 ASN HB2 H 2.638 . . 100 11 11 ASN HB3 H 2.612 . . 101 11 11 ASN HD21 H 7.040 . . 102 11 11 ASN HD22 H 7.040 . . 103 11 11 ASN C C 174.569 . . 104 11 11 ASN CA C 53.962 . . 105 11 11 ASN CB C 37.494 . . 106 11 11 ASN N N 118.906 . . 107 11 11 ASN ND2 N 111.422 . . 108 12 12 THR H H 8.924 . . 109 12 12 THR HA H 5.372 . . 110 12 12 THR HB H 4.493 . . 111 12 12 THR HG2 H 1.112 . . 112 12 12 THR C C 169.440 . . 113 12 12 THR CA C 57.228 . . 114 12 12 THR CB C 72.050 . . 115 12 12 THR CG2 C 16.673 . . 116 12 12 THR N N 123.337 . . 117 13 13 LEU H H 7.287 . . 118 13 13 LEU HA H 4.728 . . 119 13 13 LEU HB2 H 1.377 . . 120 13 13 LEU HB3 H 1.378 . . 121 13 13 LEU HD1 H 0.803 . . 122 13 13 LEU HD2 H 0.393 . . 123 13 13 LEU CA C 58.007 . . 124 13 13 LEU CD1 C 26.913 . . 125 13 13 LEU CD2 C 26.913 . . 126 13 13 LEU N N 113.368 . . 127 14 14 PRO HA H 4.007 . . 128 14 14 PRO HB2 H 2.331 . . 129 14 14 PRO HB3 H 2.258 . . 130 14 14 PRO HG2 H 2.009 . . 131 14 14 PRO HG3 H 2.100 . . 132 14 14 PRO C C 174.250 . . 133 14 14 PRO CA C 59.901 . . 134 14 14 PRO CB C 35.910 . . 135 14 14 PRO CG C 29.417 . . 136 14 14 PRO CD C 55.787 . . 137 15 15 TYR H H 7.966 . . 138 15 15 TYR HA H 5.086 . . 139 15 15 TYR HB2 H 2.808 . . 140 15 15 TYR HB3 H 2.629 . . 141 15 15 TYR HD1 H 8.607 . . 142 15 15 TYR HD2 H 8.607 . . 143 15 15 TYR HE1 H 7.142 . . 144 15 15 TYR HE2 H 7.142 . . 145 15 15 TYR C C 173.670 . . 146 15 15 TYR CA C 57.443 . . 147 15 15 TYR CB C 39.710 . . 148 15 15 TYR N N 113.244 . . 149 16 16 GLN H H 7.339 . . 150 16 16 GLN HA H 5.531 . . 151 16 16 GLN C C 174.055 . . 152 16 16 GLN CA C 60.083 . . 153 16 16 GLN CB C 27.234 . . 154 16 16 GLN CG C 32.051 . . 155 16 16 GLN N N 126.124 . . 156 17 17 VAL H H 7.821 . . 157 17 17 VAL HA H 3.766 . . 158 17 17 VAL HB H 2.466 . . 159 17 17 VAL HG1 H 0.888 . . 160 17 17 VAL HG2 H 1.193 . . 161 17 17 VAL C C 173.940 . . 162 17 17 VAL CA C 62.021 . . 163 17 17 VAL CB C 32.639 . . 164 17 17 VAL CG1 C 24.020 . . 165 17 17 VAL CG2 C 20.955 . . 166 17 17 VAL N N 119.464 . . 167 18 18 PHE H H 9.038 . . 168 18 18 PHE HA H 4.767 . . 169 18 18 PHE HB2 H 2.690 . . 170 18 18 PHE HB3 H 2.678 . . 171 18 18 PHE HD1 H 6.910 . . 172 18 18 PHE HD2 H 6.910 . . 173 18 18 PHE HE1 H 7.129 . . 174 18 18 PHE HE2 H 7.129 . . 175 18 18 PHE HZ H 6.685 . . 176 18 18 PHE C C 176.303 . . 177 18 18 PHE CA C 57.023 . . 178 18 18 PHE CB C 42.114 . . 179 18 18 PHE N N 125.732 . . 180 19 19 LEU H H 8.067 . . 181 19 19 LEU HA H 4.463 . . 182 19 19 LEU HD1 H 0.584 . . 183 19 19 LEU HD2 H 0.675 . . 184 19 19 LEU C C 177.889 . . 185 19 19 LEU CA C 58.199 . . 186 19 19 LEU CB C 42.003 . . 187 19 19 LEU N N 119.111 . . 188 20 20 ASN H H 8.604 . . 189 20 20 ASN HA H 4.522 . . 190 20 20 ASN HB2 H 2.398 . . 191 20 20 ASN HB3 H 2.398 . . 192 20 20 ASN HD21 H 7.048 . . 193 20 20 ASN HD22 H 7.092 . . 194 20 20 ASN C C 173.317 . . 195 20 20 ASN CA C 55.265 . . 196 20 20 ASN CB C 38.344 . . 197 20 20 ASN CG C 179.365 . . 198 20 20 ASN N N 128.285 . . 199 20 20 ASN ND2 N 107.649 . . 200 21 21 LEU H H 8.460 . . 201 21 21 LEU HA H 4.998 . . 202 21 21 LEU HB2 H 1.702 . . 203 21 21 LEU HB3 H 1.371 . . 204 21 21 LEU HG H 0.957 . . 205 21 21 LEU HD1 H 0.714 . . 206 21 21 LEU HD2 H 0.714 . . 207 21 21 LEU C C 176.515 . . 208 21 21 LEU CA C 53.286 . . 209 21 21 LEU CB C 42.472 . . 210 21 21 LEU CG C 25.631 . . 211 21 21 LEU CD1 C 26.439 . . 212 21 21 LEU CD2 C 18.547 . . 213 21 21 LEU N N 120.695 . . 214 22 22 GLU H H 8.137 . . 215 22 22 GLU HA H 4.184 . . 216 22 22 GLU HB2 H 2.091 . . 217 22 22 GLU HB3 H 2.091 . . 218 22 22 GLU HG2 H 2.530 . . 219 22 22 GLU HG3 H 2.297 . . 220 22 22 GLU C C 176.500 . . 221 22 22 GLU CA C 58.476 . . 222 22 22 GLU CB C 30.698 . . 223 22 22 GLU CG C 36.692 . . 224 22 22 GLU N N 125.375 . . 225 23 23 ASN H H 8.826 . . 226 23 23 ASN HA H 4.891 . . 227 23 23 ASN HB2 H 3.126 . . 228 23 23 ASN HB3 H 2.805 . . 229 23 23 ASN HD21 H 6.937 . . 230 23 23 ASN HD22 H 7.492 . . 231 23 23 ASN C C 175.483 . . 232 23 23 ASN CA C 51.654 . . 233 23 23 ASN CB C 39.569 . . 234 23 23 ASN CG C 180.214 . . 235 23 23 ASN N N 117.223 . . 236 23 23 ASN ND2 N 111.746 . . 237 24 24 GLU H H 8.969 . . 238 24 24 GLU HA H 4.008 . . 239 24 24 GLU HB2 H 2.044 . . 240 24 24 GLU HB3 H 2.045 . . 241 24 24 GLU HG2 H 2.179 . . 242 24 24 GLU HG3 H 2.099 . . 243 24 24 GLU C C 177.677 . . 244 24 24 GLU CA C 58.284 . . 245 24 24 GLU CB C 28.833 . . 246 24 24 GLU CG C 35.310 . . 247 24 24 GLU N N 123.855 . . 248 25 25 HIS H H 8.657 . . 249 25 25 HIS HA H 4.290 . . 250 25 25 HIS HB2 H 2.846 . . 251 25 25 HIS HB3 H 2.430 . . 252 25 25 HIS HD2 H 7.121 . . 253 25 25 HIS HE1 H 8.535 . . 254 25 25 HIS C C 176.282 . . 255 25 25 HIS CA C 58.186 . . 256 25 25 HIS CB C 28.265 . . 257 25 25 HIS N N 119.645 . . 258 26 26 TYR H H 7.534 . . 259 26 26 TYR HA H 4.723 . . 260 26 26 TYR HB2 H 2.504 . . 261 26 26 TYR HB3 H 2.504 . . 262 26 26 TYR HD1 H 6.490 . . 263 26 26 TYR HD2 H 6.490 . . 264 26 26 TYR HE1 H 6.197 . . 265 26 26 TYR HE2 H 6.197 . . 266 26 26 TYR C C 174.012 . . 267 26 26 TYR CA C 58.845 . . 268 26 26 TYR CB C 37.452 . . 269 26 26 TYR N N 115.549 . . 270 27 27 TYR H H 7.640 . . 271 27 27 TYR HA H 3.722 . . 272 27 27 TYR HB2 H 3.059 . . 273 27 27 TYR HB3 H 3.025 . . 274 27 27 TYR HD1 H 6.908 . . 275 27 27 TYR HD2 H 6.908 . . 276 27 27 TYR C C 176.238 . . 277 27 27 TYR CA C 62.593 . . 278 27 27 TYR CB C 38.998 . . 279 27 27 TYR N N 122.147 . . 280 28 28 ALA H H 8.448 . . 281 28 28 ALA HA H 3.900 . . 282 28 28 ALA HB H 1.409 . . 283 28 28 ALA C C 180.657 . . 284 28 28 ALA CA C 55.707 . . 285 28 28 ALA CB C 17.476 . . 286 28 28 ALA N N 119.007 . . 287 29 29 GLN H H 8.079 . . 288 29 29 GLN HA H 3.893 . . 289 29 29 GLN HB2 H 2.086 . . 290 29 29 GLN HB3 H 1.934 . . 291 29 29 GLN HG2 H 2.404 . . 292 29 29 GLN HG3 H 2.242 . . 293 29 29 GLN HE21 H 6.700 . . 294 29 29 GLN HE22 H 6.923 . . 295 29 29 GLN C C 177.636 . . 296 29 29 GLN CA C 59.005 . . 297 29 29 GLN CB C 27.765 . . 298 29 29 GLN CG C 33.918 . . 299 29 29 GLN N N 119.820 . . 300 29 29 GLN NE2 N 109.647 . . 301 30 30 ALA H H 7.941 . . 302 30 30 ALA HA H 4.057 . . 303 30 30 ALA HB H 1.346 . . 304 30 30 ALA C C 178.910 . . 305 30 30 ALA CA C 55.336 . . 306 30 30 ALA CB C 20.049 . . 307 30 30 ALA N N 121.467 . . 308 31 31 ILE H H 7.924 . . 309 31 31 ILE HA H 3.388 . . 310 31 31 ILE HB H 1.710 . . 311 31 31 ILE HG12 H 0.642 . . 312 31 31 ILE HG13 H 0.644 . . 313 31 31 ILE HG2 H 0.522 . . 314 31 31 ILE HD1 H 0.022 . . 315 31 31 ILE C C 178.574 . . 316 31 31 ILE CA C 61.960 . . 317 31 31 ILE CB C 35.538 . . 318 31 31 ILE CG1 C 26.972 . . 319 31 31 ILE CG2 C 17.782 . . 320 31 31 ILE CD1 C 10.029 . . 321 31 31 ILE N N 115.706 . . 322 32 32 GLN H H 7.831 . . 323 32 32 GLN HA H 3.897 . . 324 32 32 GLN HB2 H 2.097 . . 325 32 32 GLN HB3 H 1.927 . . 326 32 32 GLN HG2 H 2.406 . . 327 32 32 GLN HG3 H 2.281 . . 328 32 32 GLN HE21 H 6.742 . . 329 32 32 GLN HE22 H 7.331 . . 330 32 32 GLN C C 179.467 . . 331 32 32 GLN CA C 59.283 . . 332 32 32 GLN CB C 28.110 . . 333 32 32 GLN CG C 34.230 . . 334 32 32 GLN CD C 180.186 . . 335 32 32 GLN N N 120.527 . . 336 32 32 GLN NE2 N 111.037 . . 337 33 33 LEU H H 7.766 . . 338 33 33 LEU HA H 4.024 . . 339 33 33 LEU HB2 H 1.960 . . 340 33 33 LEU HB3 H 1.477 . . 341 33 33 LEU HG H 0.818 . . 342 33 33 LEU HD1 H 0.522 . . 343 33 33 LEU HD2 H 0.178 . . 344 33 33 LEU C C 177.698 . . 345 33 33 LEU CA C 57.997 . . 346 33 33 LEU CB C 41.831 . . 347 33 33 LEU CG C 25.614 . . 348 33 33 LEU CD1 C 21.374 . . 349 33 33 LEU CD2 C 27.801 . . 350 33 33 LEU N N 121.489 . . 351 34 34 ALA H H 7.556 . . 352 34 34 ALA HA H 3.020 . . 353 34 34 ALA HB H 0.936 . . 354 34 34 ALA C C 180.768 . . 355 34 34 ALA CA C 53.998 . . 356 34 34 ALA CB C 17.510 . . 357 34 34 ALA N N 118.091 . . 358 35 35 GLN H H 8.334 . . 359 35 35 GLN HA H 3.796 . . 360 35 35 GLN HB2 H 1.977 . . 361 35 35 GLN HB3 H 2.155 . . 362 35 35 GLN HG2 H 2.410 . . 363 35 35 GLN HG3 H 2.247 . . 364 35 35 GLN HE21 H 6.654 . . 365 35 35 GLN HE22 H 7.288 . . 366 35 35 GLN C C 178.097 . . 367 35 35 GLN CA C 57.865 . . 368 35 35 GLN CB C 28.009 . . 369 35 35 GLN CG C 33.871 . . 370 35 35 GLN CD C 179.377 . . 371 35 35 GLN N N 116.676 . . 372 35 35 GLN NE2 N 111.592 . . 373 36 36 LEU H H 7.494 . . 374 36 36 LEU HA H 3.839 . . 375 36 36 LEU HB2 H 1.276 . . 376 36 36 LEU HB3 H 1.384 . . 377 36 36 LEU HG H 0.821 . . 378 36 36 LEU HD1 H 0.423 . . 379 36 36 LEU HD2 H 0.654 . . 380 36 36 LEU C C 177.917 . . 381 36 36 LEU CA C 57.894 . . 382 36 36 LEU CB C 42.007 . . 383 36 36 LEU CG C 31.766 . . 384 36 36 LEU CD1 C 25.709 . . 385 36 36 LEU CD2 C 23.939 . . 386 36 36 LEU N N 121.639 . . 387 37 37 PHE H H 6.188 . . 388 37 37 PHE HA H 4.607 . . 389 37 37 PHE HB2 H 3.242 . . 390 37 37 PHE HB3 H 3.405 . . 391 37 37 PHE HZ H 6.739 . . 392 37 37 PHE C C 175.657 . . 393 37 37 PHE CA C 57.789 . . 394 37 37 PHE CB C 38.606 . . 395 37 37 PHE N N 110.907 . . 396 38 38 ALA H H 6.927 . . 397 38 38 ALA HA H 3.407 . . 398 38 38 ALA HB H 1.090 . . 399 38 38 ALA C C 176.798 . . 400 38 38 ALA CA C 55.121 . . 401 38 38 ALA CB C 20.249 . . 402 38 38 ALA N N 117.990 . . 403 39 39 HIS H H 8.714 . . 404 39 39 HIS HA H 4.732 . . 405 39 39 HIS HB2 H 3.511 . . 406 39 39 HIS HB3 H 2.969 . . 407 39 39 HIS HD2 H 8.982 . . 408 39 39 HIS HE1 H 8.270 . . 409 39 39 HIS C C 175.839 . . 410 39 39 HIS CA C 54.276 . . 411 39 39 HIS CB C 27.930 . . 412 39 39 HIS N N 109.894 . . 413 40 40 GLU H H 7.704 . . 414 40 40 GLU HA H 4.700 . . 415 40 40 GLU HB2 H 2.270 . . 416 40 40 GLU HB3 H 2.010 . . 417 40 40 GLU HG2 H 2.414 . . 418 40 40 GLU HG3 H 2.413 . . 419 40 40 GLU C C 174.477 . . 420 40 40 GLU CA C 53.657 . . 421 40 40 GLU CB C 25.235 . . 422 40 40 GLU CG C 35.987 . . 423 40 40 GLU N N 123.721 . . 424 41 41 VAL H H 7.288 . . 425 41 41 VAL HA H 5.044 . . 426 41 41 VAL HB H 1.736 . . 427 41 41 VAL HG1 H 0.790 . . 428 41 41 VAL HG2 H 0.555 . . 429 41 41 VAL C C 175.170 . . 430 41 41 VAL CA C 58.201 . . 431 41 41 VAL CB C 35.753 . . 432 41 41 VAL CG1 C 17.452 . . 433 41 41 VAL CG2 C 17.341 . . 434 41 41 VAL N N 109.801 . . 435 42 42 ASP H H 8.665 . . 436 42 42 ASP HA H 4.316 . . 437 42 42 ASP C C 177.063 . . 438 42 42 ASP CA C 55.380 . . 439 42 42 ASP CB C 41.324 . . 440 42 42 ASP N N 119.336 . . 441 43 43 ASP H H 8.511 . . 442 43 43 ASP HA H 4.316 . . 443 43 43 ASP C C 178.148 . . 444 43 43 ASP CA C 53.939 . . 445 43 43 ASP CB C 41.732 . . 446 43 43 ASP N N 121.828 . . 447 44 44 ASN H H 8.286 . . 448 44 44 ASN HA H 4.850 . . 449 44 44 ASN HB2 H 2.682 . . 450 44 44 ASN HB3 H 2.873 . . 451 44 44 ASN HD21 H 6.867 . . 452 44 44 ASN HD22 H 7.806 . . 453 44 44 ASN C C 175.670 . . 454 44 44 ASN CA C 52.699 . . 455 44 44 ASN CB C 39.578 . . 456 44 44 ASN N N 116.193 . . 457 44 44 ASN ND2 N 114.286 . . 458 45 45 GLY H H 8.010 . . 459 45 45 GLY HA2 H 4.151 . . 460 45 45 GLY HA3 H 3.409 . . 461 45 45 GLY C C 173.600 . . 462 45 45 GLY CA C 45.470 . . 463 45 45 GLY N N 108.325 . . 464 46 46 GLN H H 8.056 . . 465 46 46 GLN HA H 4.300 . . 466 46 46 GLN HB2 H 1.947 . . 467 46 46 GLN HB3 H 1.815 . . 468 46 46 GLN HG2 H 2.234 . . 469 46 46 GLN HG3 H 2.234 . . 470 46 46 GLN HE21 H 6.765 . . 471 46 46 GLN HE22 H 7.438 . . 472 46 46 GLN C C 175.878 . . 473 46 46 GLN CA C 54.075 . . 474 46 46 GLN CB C 29.715 . . 475 46 46 GLN CG C 33.825 . . 476 46 46 GLN CD C 180.131 . . 477 46 46 GLN N N 120.227 . . 478 46 46 GLN NE2 N 112.077 . . 479 47 47 LEU H H 8.714 . . 480 47 47 LEU HA H 4.695 . . 481 47 47 LEU HB2 H 2.173 . . 482 47 47 LEU HB3 H 2.173 . . 483 47 47 LEU HG H 1.026 . . 484 47 47 LEU HD1 H 0.731 . . 485 47 47 LEU HD2 H -0.310 . . 486 47 47 LEU C C 174.340 . . 487 47 47 LEU CA C 56.682 . . 488 47 47 LEU CB C 42.708 . . 489 47 47 LEU CD2 C 23.841 . . 490 47 47 LEU N N 115.545 . . 491 48 48 ASP H H 8.954 . . 492 48 48 ASP HA H 4.832 . . 493 48 48 ASP HB2 H 2.659 . . 494 48 48 ASP HB3 H 2.242 . . 495 48 48 ASP C C 176.187 . . 496 48 48 ASP CA C 52.023 . . 497 48 48 ASP CB C 42.129 . . 498 48 48 ASP N N 128.549 . . 499 49 49 LEU H H 8.964 . . 500 49 49 LEU HA H 3.931 . . 501 49 49 LEU HB2 H 1.743 . . 502 49 49 LEU HB3 H 1.702 . . 503 49 49 LEU HG H 1.700 . . 504 49 49 LEU HD1 H 0.887 . . 505 49 49 LEU HD2 H 0.912 . . 506 49 49 LEU C C 178.573 . . 507 49 49 LEU CA C 58.097 . . 508 49 49 LEU CB C 42.064 . . 509 49 49 LEU CG C 33.316 . . 510 49 49 LEU CD1 C 29.259 . . 511 49 49 LEU CD2 C 26.806 . . 512 49 49 LEU N N 125.216 . . 513 50 50 ALA H H 8.108 . . 514 50 50 ALA HA H 4.081 . . 515 50 50 ALA HB H 1.451 . . 516 50 50 ALA C C 181.434 . . 517 50 50 ALA CA C 55.341 . . 518 50 50 ALA CB C 17.839 . . 519 50 50 ALA N N 121.199 . . 520 51 51 LYS H H 7.833 . . 521 51 51 LYS HA H 3.924 . . 522 51 51 LYS HB2 H 1.734 . . 523 51 51 LYS HB3 H 2.245 . . 524 51 51 LYS HG2 H 0.568 . . 525 51 51 LYS HG3 H 0.568 . . 526 51 51 LYS HD2 H 1.747 . . 527 51 51 LYS HD3 H 1.747 . . 528 51 51 LYS HE2 H 3.142 . . 529 51 51 LYS HE3 H 2.742 . . 530 51 51 LYS HZ H 7.665 . . 531 51 51 LYS C C 180.089 . . 532 51 51 LYS CA C 59.879 . . 533 51 51 LYS CB C 33.168 . . 534 51 51 LYS CG C 25.370 . . 535 51 51 LYS CD C 30.186 . . 536 51 51 LYS CE C 52.533 . . 537 51 51 LYS N N 120.307 . . 538 51 51 LYS NZ N 71.878 . . 539 52 52 ALA H H 9.070 . . 540 52 52 ALA HA H 4.254 . . 541 52 52 ALA HB H 1.690 . . 542 52 52 ALA C C 177.962 . . 543 52 52 ALA CA C 55.948 . . 544 52 52 ALA CB C 17.214 . . 545 52 52 ALA N N 123.136 . . 546 53 53 LEU H H 8.614 . . 547 53 53 LEU HA H 4.331 . . 548 53 53 LEU HB2 H 1.538 . . 549 53 53 LEU HB3 H 1.526 . . 550 53 53 LEU HG H 0.871 . . 551 53 53 LEU HD1 H 0.529 . . 552 53 53 LEU C C 178.745 . . 553 53 53 LEU CA C 58.017 . . 554 53 53 LEU CB C 41.701 . . 555 53 53 LEU N N 120.525 . . 556 54 54 LYS H H 7.415 . . 557 54 54 LYS HA H 4.019 . . 558 54 54 LYS HB2 H 1.830 . . 559 54 54 LYS HB3 H 1.707 . . 560 54 54 LYS HG2 H 0.915 . . 561 54 54 LYS HG3 H 0.915 . . 562 54 54 LYS C C 179.576 . . 563 54 54 LYS CA C 59.384 . . 564 54 54 LYS CB C 32.324 . . 565 54 54 LYS CG C 25.499 . . 566 54 54 LYS CD C 29.091 . . 567 54 54 LYS CE C 40.806 . . 568 54 54 LYS N N 118.646 . . 569 55 55 LYS H H 7.968 . . 570 55 55 LYS HA H 4.119 . . 571 55 55 LYS HB2 H 1.852 . . 572 55 55 LYS HB3 H 1.494 . . 573 55 55 LYS HG2 H 0.989 . . 574 55 55 LYS HG3 H 1.449 . . 575 55 55 LYS HE2 H 3.107 . . 576 55 55 LYS HE3 H 3.207 . . 577 55 55 LYS HZ H 7.282 . . 578 55 55 LYS C C 179.095 . . 579 55 55 LYS CA C 58.222 . . 580 55 55 LYS CB C 31.692 . . 581 55 55 LYS CG C 24.839 . . 582 55 55 LYS CD C 31.084 . . 583 55 55 LYS CE C 38.088 . . 584 55 55 LYS N N 120.303 . . 585 56 56 ALA H H 8.459 . . 586 56 56 ALA HA H 4.103 . . 587 56 56 ALA HB H 1.515 . . 588 56 56 ALA C C 179.853 . . 589 56 56 ALA CA C 55.389 . . 590 56 56 ALA CB C 18.272 . . 591 56 56 ALA N N 121.141 . . 592 57 57 GLN H H 8.324 . . 593 57 57 GLN HA H 3.947 . . 594 57 57 GLN HB2 H 1.964 . . 595 57 57 GLN HB3 H 1.795 . . 596 57 57 GLN HG2 H 2.443 . . 597 57 57 GLN HG3 H 2.239 . . 598 57 57 GLN HE21 H 6.638 . . 599 57 57 GLN HE22 H 7.143 . . 600 57 57 GLN C C 176.579 . . 601 57 57 GLN CA C 57.942 . . 602 57 57 GLN CB C 28.596 . . 603 57 57 GLN CG C 34.535 . . 604 57 57 GLN CD C 179.907 . . 605 57 57 GLN N N 115.455 . . 606 57 57 GLN NE2 N 110.181 . . 607 58 58 ALA H H 7.305 . . 608 58 58 ALA HA H 4.336 . . 609 58 58 ALA HB H 1.470 . . 610 58 58 ALA C C 177.280 . . 611 58 58 ALA CA C 52.056 . . 612 58 58 ALA CB C 19.187 . . 613 58 58 ALA N N 118.966 . . 614 59 59 GLN H H 7.470 . . 615 59 59 GLN HA H 4.668 . . 616 59 59 GLN HB2 H 2.262 . . 617 59 59 GLN HB3 H 2.234 . . 618 59 59 GLN HG2 H 2.783 . . 619 59 59 GLN HG3 H 2.527 . . 620 59 59 GLN HE21 H 7.023 . . 621 59 59 GLN HE22 H 7.743 . . 622 59 59 GLN CA C 52.192 . . 623 59 59 GLN CB C 28.427 . . 624 59 59 GLN CG C 33.250 . . 625 59 59 GLN CD C 179.583 . . 626 59 59 GLN N N 119.797 . . 627 59 59 GLN NE2 N 113.611 . . 628 60 60 PRO HA H 4.431 . . 629 60 60 PRO HB2 H 2.272 . . 630 60 60 PRO HB3 H 1.942 . . 631 60 60 PRO HG2 H 1.955 . . 632 60 60 PRO HG3 H 2.256 . . 633 60 60 PRO HD2 H 3.495 . . 634 60 60 PRO HD3 H 3.721 . . 635 60 60 PRO C C 177.027 . . 636 60 60 PRO CA C 64.286 . . 637 60 60 PRO CB C 32.110 . . 638 60 60 PRO CG C 27.154 . . 639 60 60 PRO CD C 50.324 . . 640 61 61 ASP H H 8.579 . . 641 61 61 ASP HA H 4.568 . . 642 61 61 ASP HB2 H 2.715 . . 643 61 61 ASP HB3 H 2.618 . . 644 61 61 ASP C C 175.235 . . 645 61 61 ASP CA C 53.786 . . 646 61 61 ASP CB C 39.617 . . 647 61 61 ASP N N 114.032 . . 648 62 62 LEU H H 7.494 . . 649 62 62 LEU HA H 5.154 . . 650 62 62 LEU HB2 H 1.234 . . 651 62 62 LEU HB3 H 2.020 . . 652 62 62 LEU HG H 1.591 . . 653 62 62 LEU HD1 H -0.122 . . 654 62 62 LEU HD2 H 0.959 . . 655 62 62 LEU C C 175.857 . . 656 62 62 LEU CA C 53.730 . . 657 62 62 LEU CB C 44.617 . . 658 62 62 LEU CG C 33.510 . . 659 62 62 LEU N N 119.064 . . 660 63 63 ALA H H 8.317 . . 661 63 63 ALA HA H 4.772 . . 662 63 63 ALA HB H 1.252 . . 663 63 63 ALA C C 176.609 . . 664 63 63 ALA CA C 50.875 . . 665 63 63 ALA CB C 21.136 . . 666 63 63 ALA N N 123.325 . . 667 64 64 ILE H H 8.935 . . 668 64 64 ILE HA H 4.377 . . 669 64 64 ILE HB H 1.767 . . 670 64 64 ILE HG12 H 1.480 . . 671 64 64 ILE HG13 H 0.819 . . 672 64 64 ILE HG2 H 0.672 . . 673 64 64 ILE C C 176.955 . . 674 64 64 ILE CA C 62.104 . . 675 64 64 ILE CB C 37.784 . . 676 64 64 ILE CG1 C 28.842 . . 677 64 64 ILE CG2 C 21.966 . . 678 64 64 ILE N N 123.630 . . 679 65 65 ILE H H 8.739 . . 680 65 65 ILE HA H 4.580 . . 681 65 65 ILE HB H 1.924 . . 682 65 65 ILE HG12 H 1.314 . . 683 65 65 ILE HG13 H 1.031 . . 684 65 65 ILE HG2 H 0.877 . . 685 65 65 ILE HD1 H 0.823 . . 686 65 65 ILE C C 175.289 . . 687 65 65 ILE CA C 60.217 . . 688 65 65 ILE CB C 40.686 . . 689 65 65 ILE CG1 C 27.451 . . 690 65 65 ILE CG2 C 19.053 . . 691 65 65 ILE CD1 C 14.710 . . 692 65 65 ILE N N 123.488 . . 693 66 66 ALA H H 7.653 . . 694 66 66 ALA HA H 4.679 . . 695 66 66 ALA HB H 1.125 . . 696 66 66 ALA C C 175.132 . . 697 66 66 ALA CA C 52.492 . . 698 66 66 ALA CB C 22.181 . . 699 66 66 ALA N N 122.210 . . 700 67 67 THR H H 8.351 . . 701 67 67 THR HA H 4.170 . . 702 67 67 THR HB H 3.729 . . 703 67 67 THR HG2 H 0.824 . . 704 67 67 THR C C 177.029 . . 705 67 67 THR CA C 60.565 . . 706 67 67 THR CB C 62.330 . . 707 67 67 THR N N 124.268 . . 708 68 68 ASN H H 7.953 . . 709 68 68 ASN HA H 4.084 . . 710 68 68 ASN HD21 H 6.643 . . 711 68 68 ASN HD22 H 7.149 . . 712 68 68 ASN C C 176.256 . . 713 68 68 ASN CA C 55.266 . . 714 68 68 ASN CB C 43.850 . . 715 68 68 ASN N N 125.730 . . 716 68 68 ASN ND2 N 110.272 . . 717 69 69 ASN H H 7.794 . . 718 69 69 ASN HA H 5.144 . . 719 69 69 ASN HB2 H 2.787 . . 720 69 69 ASN HB3 H 2.786 . . 721 69 69 ASN HD21 H 6.846 . . 722 69 69 ASN HD22 H 7.833 . . 723 69 69 ASN C C 173.049 . . 724 69 69 ASN CA C 53.574 . . 725 69 69 ASN CB C 38.978 . . 726 69 69 ASN CG C 177.110 . . 727 69 69 ASN N N 117.824 . . 728 69 69 ASN ND2 N 112.969 . . 729 70 70 MET H H 8.859 . . 730 70 70 MET HA H 4.836 . . 731 70 70 MET HB2 H 1.975 . . 732 70 70 MET HB3 H 1.975 . . 733 70 70 MET HG2 H 2.413 . . 734 70 70 MET HG3 H 2.311 . . 735 70 70 MET HE H 1.821 . . 736 70 70 MET C C 175.372 . . 737 70 70 MET CA C 55.018 . . 738 70 70 MET CB C 36.276 . . 739 70 70 MET CG C 31.240 . . 740 70 70 MET CE C 17.650 . . 741 70 70 MET N N 122.784 . . 742 71 71 THR H H 8.601 . . 743 71 71 THR HA H 5.166 . . 744 71 71 THR HB H 3.862 . . 745 71 71 THR HG2 H 1.035 . . 746 71 71 THR C C 172.842 . . 747 71 71 THR CA C 62.301 . . 748 71 71 THR CB C 71.265 . . 749 71 71 THR CG2 C 21.135 . . 750 71 71 THR N N 120.043 . . 751 72 72 LEU H H 9.352 . . 752 72 72 LEU HA H 4.694 . . 753 72 72 LEU HB2 H 1.618 . . 754 72 72 LEU HB3 H 1.620 . . 755 72 72 LEU HD1 H 0.836 . . 756 72 72 LEU HD2 H 0.138 . . 757 72 72 LEU C C 174.078 . . 758 72 72 LEU CA C 54.032 . . 759 72 72 LEU CB C 45.528 . . 760 72 72 LEU CD1 C 25.174 . . 761 72 72 LEU N N 127.863 . . 762 73 73 LYS H H 8.518 . . 763 73 73 LYS HA H 5.349 . . 764 73 73 LYS HB2 H 1.624 . . 765 73 73 LYS HB3 H 1.546 . . 766 73 73 LYS HG2 H 1.018 . . 767 73 73 LYS HG3 H 1.020 . . 768 73 73 LYS HD2 H 1.654 . . 769 73 73 LYS HD3 H 1.531 . . 770 73 73 LYS HE2 H 3.662 . . 771 73 73 LYS HE3 H 3.213 . . 772 73 73 LYS C C 172.921 . . 773 73 73 LYS CA C 55.520 . . 774 73 73 LYS CB C 41.942 . . 775 73 73 LYS CG C 24.925 . . 776 73 73 LYS CD C 33.971 . . 777 73 73 LYS N N 125.476 . . 778 74 74 LYS H H 8.363 . . 779 74 74 LYS HA H 4.357 . . 780 74 74 LYS HB2 H 1.254 . . 781 74 74 LYS HB3 H 1.187 . . 782 74 74 LYS HD2 H 1.474 . . 783 74 74 LYS HD3 H 1.622 . . 784 74 74 LYS HE2 H 2.218 . . 785 74 74 LYS HE3 H 2.218 . . 786 74 74 LYS C C 174.009 . . 787 74 74 LYS CA C 55.197 . . 788 74 74 LYS CB C 35.994 . . 789 74 74 LYS CG C 24.173 . . 790 74 74 LYS CD C 27.732 . . 791 74 74 LYS CE C 45.353 . . 792 74 74 LYS N N 124.268 . . 793 75 75 SER H H 7.890 . . 794 75 75 SER HA H 4.728 . . 795 75 75 SER HB2 H 3.509 . . 796 75 75 SER HB3 H 3.507 . . 797 75 75 SER C C 174.256 . . 798 75 75 SER CA C 56.819 . . 799 75 75 SER CB C 63.812 . . 800 75 75 SER N N 115.492 . . 801 76 76 PHE H H 7.298 . . 802 76 76 PHE HA H 4.724 . . 803 76 76 PHE HB2 H 2.758 . . 804 76 76 PHE HB3 H 2.501 . . 805 76 76 PHE C C 178.601 . . 806 76 76 PHE CA C 57.448 . . 807 76 76 PHE CB C 40.963 . . 808 76 76 PHE N N 114.848 . . 809 77 77 SER H H 8.187 . . 810 77 77 SER HA H 4.700 . . 811 77 77 SER HB2 H 3.023 . . 812 77 77 SER HB3 H 3.678 . . 813 77 77 SER C C 174.549 . . 814 77 77 SER CA C 60.663 . . 815 77 77 SER CB C 63.636 . . 816 77 77 SER N N 112.940 . . 817 78 78 THR H H 7.367 . . 818 78 78 THR HA H 4.526 . . 819 78 78 THR HB H 4.410 . . 820 78 78 THR HG2 H 1.139 . . 821 78 78 THR C C 174.395 . . 822 78 78 THR CA C 58.984 . . 823 78 78 THR CB C 73.039 . . 824 78 78 THR CG2 C 21.132 . . 825 78 78 THR N N 107.509 . . 826 79 79 LEU H H 8.698 . . 827 79 79 LEU HA H 4.737 . . 828 79 79 LEU HB2 H 1.637 . . 829 79 79 LEU HB3 H 1.637 . . 830 79 79 LEU HG H 1.432 . . 831 79 79 LEU C C 178.430 . . 832 79 79 LEU CA C 57.381 . . 833 79 79 LEU CB C 41.984 . . 834 79 79 LEU N N 123.239 . . 835 80 80 SER H H 7.910 . . 836 80 80 SER HA H 4.103 . . 837 80 80 SER HB2 H 3.659 . . 838 80 80 SER HB3 H 3.792 . . 839 80 80 SER C C 174.109 . . 840 80 80 SER CA C 57.264 . . 841 80 80 SER CB C 62.146 . . 842 80 80 SER N N 111.862 . . 843 81 81 ALA H H 8.963 . . 844 81 81 ALA HA H 4.742 . . 845 81 81 ALA HB H 0.972 . . 846 81 81 ALA C C 175.519 . . 847 81 81 ALA CA C 53.691 . . 848 81 81 ALA CB C 21.785 . . 849 81 81 ALA N N 121.743 . . 850 82 82 LEU H H 9.094 . . 851 82 82 LEU HA H 5.011 . . 852 82 82 LEU HB2 H 1.913 . . 853 82 82 LEU HB3 H 1.259 . . 854 82 82 LEU HG H 0.964 . . 855 82 82 LEU HD1 H 0.687 . . 856 82 82 LEU HD2 H 0.548 . . 857 82 82 LEU C C 172.592 . . 858 82 82 LEU CA C 51.661 . . 859 82 82 LEU CB C 43.174 . . 860 82 82 LEU CD1 C 21.484 . . 861 82 82 LEU CD2 C 21.454 . . 862 82 82 LEU N N 125.158 . . 863 83 83 THR H H 8.413 . . 864 83 83 THR HA H 4.068 . . 865 83 83 THR HB H 4.313 . . 866 83 83 THR HG2 H 1.107 . . 867 83 83 THR C C 177.889 . . 868 83 83 THR CA C 56.557 . . 869 83 83 THR CG2 C 24.971 . . 870 83 83 THR N N 120.865 . . 871 84 84 THR H H 7.643 . . 872 84 84 THR HA H 3.875 . . 873 84 84 THR HB H 4.133 . . 874 84 84 THR HG2 H 1.114 . . 875 84 84 THR C C 175.847 . . 876 84 84 THR CA C 67.025 . . 877 84 84 THR CB C 68.474 . . 878 84 84 THR CG2 C 21.451 . . 879 84 84 THR N N 117.148 . . 880 85 85 THR H H 7.636 . . 881 85 85 THR HA H 3.941 . . 882 85 85 THR HB H 4.241 . . 883 85 85 THR HG2 H 1.229 . . 884 85 85 THR C C 175.909 . . 885 85 85 THR CA C 67.303 . . 886 85 85 THR CB C 68.646 . . 887 85 85 THR CG2 C 21.539 . . 888 85 85 THR N N 119.316 . . 889 86 86 LEU H H 7.665 . . 890 86 86 LEU HA H 4.128 . . 891 86 86 LEU HD2 H 0.158 . . 892 86 86 LEU C C 177.863 . . 893 86 86 LEU CA C 58.635 . . 894 86 86 LEU N N 118.332 . . 895 87 87 SER H H 8.335 . . 896 87 87 SER HA H 4.513 . . 897 87 87 SER HB2 H 3.792 . . 898 87 87 SER HB3 H 3.792 . . 899 87 87 SER C C 177.902 . . 900 87 87 SER CA C 58.120 . . 901 87 87 SER CB C 64.117 . . 902 87 87 SER N N 112.919 . . 903 88 88 GLU H H 8.342 . . 904 88 88 GLU HA H 4.348 . . 905 88 88 GLU C C 176.080 . . 906 88 88 GLU CA C 58.155 . . 907 88 88 GLU CB C 28.284 . . 908 88 88 GLU N N 114.548 . . 909 89 89 GLN H H 8.051 . . 910 89 89 GLN HA H 4.854 . . 911 89 89 GLN HG2 H 1.968 . . 912 89 89 GLN HG3 H 1.967 . . 913 89 89 GLN HE21 H 7.335 . . 914 89 89 GLN HE22 H 6.622 . . 915 89 89 GLN C C 176.008 . . 916 89 89 GLN CA C 54.171 . . 917 89 89 GLN CB C 29.738 . . 918 89 89 GLN CG C 34.640 . . 919 89 89 GLN CD C 177.132 . . 920 89 89 GLN N N 120.634 . . 921 89 89 GLN NE2 N 112.196 . . 922 90 90 LEU H H 8.183 . . 923 90 90 LEU HA H 4.493 . . 924 90 90 LEU C C 177.095 . . 925 90 90 LEU CA C 55.444 . . 926 90 90 LEU CB C 41.449 . . 927 90 90 LEU N N 120.656 . . 928 91 91 LYS H H 8.301 . . 929 91 91 LYS HA H 4.572 . . 930 91 91 LYS C C 174.205 . . 931 91 91 LYS CA C 57.404 . . 932 91 91 LYS CB C 34.423 . . 933 91 91 LYS CG C 20.184 . . 934 91 91 LYS CE C 47.319 . . 935 91 91 LYS N N 121.389 . . 936 92 92 ILE H H 7.352 . . 937 92 92 ILE HA H 4.182 . . 938 92 92 ILE HB H 2.033 . . 939 92 92 ILE HG12 H 1.433 . . 940 92 92 ILE HG13 H 1.433 . . 941 92 92 ILE HD1 H 0.591 . . 942 92 92 ILE C C 175.952 . . 943 92 92 ILE CA C 63.586 . . 944 92 92 ILE CB C 48.652 . . 945 92 92 ILE CG1 C 31.395 . . 946 92 92 ILE CG2 C 26.772 . . 947 92 92 ILE CD1 C 13.478 . . 948 92 92 ILE N N 118.304 . . 949 93 93 GLU H H 5.915 . . 950 93 93 GLU HA H 4.724 . . 951 93 93 GLU HB2 H 2.575 . . 952 93 93 GLU HB3 H 2.039 . . 953 93 93 GLU C C 177.619 . . 954 93 93 GLU CA C 55.655 . . 955 93 93 GLU CB C 24.953 . . 956 93 93 GLU CG C 32.541 . . 957 93 93 GLU N N 110.376 . . 958 94 94 GLY H H 8.528 . . 959 94 94 GLY HA2 H 4.726 . . 960 94 94 GLY HA3 H 3.965 . . 961 94 94 GLY C C 173.984 . . 962 94 94 GLY CA C 45.405 . . 963 94 94 GLY N N 110.446 . . 964 95 95 VAL H H 8.079 . . 965 95 95 VAL HA H 4.399 . . 966 95 95 VAL HB H 1.805 . . 967 95 95 VAL HG1 H 1.070 . . 968 95 95 VAL HG2 H 0.591 . . 969 95 95 VAL C C 177.063 . . 970 95 95 VAL CA C 63.307 . . 971 95 95 VAL CB C 32.404 . . 972 95 95 VAL CG1 C 27.144 . . 973 95 95 VAL CG2 C 17.774 . . 974 95 95 VAL N N 113.666 . . 975 96 96 LEU H H 8.522 . . 976 96 96 LEU HA H 4.718 . . 977 96 96 LEU HB2 H 1.600 . . 978 96 96 LEU HB3 H 1.597 . . 979 96 96 LEU HG H 0.780 . . 980 96 96 LEU C C 177.782 . . 981 96 96 LEU CA C 55.470 . . 982 96 96 LEU CB C 42.155 . . 983 96 96 LEU CG C 27.244 . . 984 96 96 LEU CD1 C 25.012 . . 985 96 96 LEU CD2 C 23.618 . . 986 96 96 LEU N N 121.818 . . 987 97 97 GLY H H 8.332 . . 988 97 97 GLY HA2 H 4.718 . . 989 97 97 GLY HA3 H 3.944 . . 990 97 97 GLY C C 173.960 . . 991 97 97 GLY CA C 45.365 . . 992 97 97 GLY N N 109.906 . . 993 98 98 ILE H H 8.106 . . 994 98 98 ILE HA H 3.771 . . 995 98 98 ILE HB H 1.802 . . 996 98 98 ILE HD1 H 0.593 . . 997 98 98 ILE C C 173.960 . . 998 98 98 ILE CA C 58.168 . . 999 98 98 ILE CB C 37.123 . . 1000 98 98 ILE CD1 C 12.384 . . 1001 98 98 ILE N N 115.387 . . 1002 99 99 SER H H 8.101 . . 1003 99 99 SER HA H 4.513 . . 1004 99 99 SER HB2 H 3.781 . . 1005 99 99 SER HB3 H 3.783 . . 1006 99 99 SER C C 174.340 . . 1007 99 99 SER CA C 58.145 . . 1008 99 99 SER CB C 64.216 . . 1009 99 99 SER N N 115.354 . . 1010 100 100 GLN H H 8.347 . . 1011 100 100 GLN HA H 4.715 . . 1012 100 100 GLN C C 177.025 . . 1013 100 100 GLN CA C 56.421 . . 1014 100 100 GLN CB C 31.486 . . 1015 100 100 GLN CG C 24.604 . . 1016 100 100 GLN N N 117.326 . . 1017 101 101 ASP H H 8.178 . . 1018 101 101 ASP HA H 3.964 . . 1019 101 101 ASP HB2 H 2.072 . . 1020 101 101 ASP HB3 H 1.853 . . 1021 101 101 ASP C C 178.542 . . 1022 101 101 ASP CA C 56.794 . . 1023 101 101 ASP CB C 39.730 . . 1024 101 101 ASP N N 110.865 . . 1025 102 102 THR H H 7.770 . . 1026 102 102 THR HA H 4.281 . . 1027 102 102 THR HB H 4.151 . . 1028 102 102 THR HG2 H 1.276 . . 1029 102 102 THR C C 174.660 . . 1030 102 102 THR CA C 59.948 . . 1031 102 102 THR CB C 63.704 . . 1032 102 102 THR CG2 C 21.861 . . 1033 102 102 THR N N 120.656 . . 1034 103 103 TYR H H 8.046 . . 1035 103 103 TYR HA H 4.636 . . 1036 103 103 TYR HB2 H 2.663 . . 1037 103 103 TYR HB3 H 2.663 . . 1038 103 103 TYR HD1 H 6.713 . . 1039 103 103 TYR HD2 H 6.713 . . 1040 103 103 TYR HE1 H 6.530 . . 1041 103 103 TYR HE2 H 6.530 . . 1042 103 103 TYR C C 174.610 . . 1043 103 103 TYR CA C 53.965 . . 1044 103 103 TYR CB C 40.974 . . 1045 103 103 TYR N N 120.555 . . 1046 104 104 ILE H H 8.875 . . 1047 104 104 ILE HA H 4.005 . . 1048 104 104 ILE HD1 H 0.673 . . 1049 104 104 ILE C C 173.933 . . 1050 104 104 ILE CA C 59.196 . . 1051 104 104 ILE CB C 42.021 . . 1052 104 104 ILE CG1 C 36.300 . . 1053 104 104 ILE CD1 C 14.387 . . 1054 104 104 ILE N N 122.702 . . 1055 105 105 GLN H H 7.928 . . 1056 105 105 GLN HE21 H 6.710 . . 1057 105 105 GLN HE22 H 6.923 . . 1058 105 105 GLN C C 179.244 . . 1059 105 105 GLN CA C 57.444 . . 1060 105 105 GLN CB C 28.201 . . 1061 105 105 GLN CG C 33.962 . . 1062 105 105 GLN CD C 179.318 . . 1063 105 105 GLN N N 124.233 . . 1064 105 105 GLN NE2 N 109.476 . . 1065 106 106 ASN H H 7.672 . . 1066 106 106 ASN HA H 4.277 . . 1067 106 106 ASN HB2 H 2.853 . . 1068 106 106 ASN HB3 H 2.406 . . 1069 106 106 ASN HD21 H 7.378 . . 1070 106 106 ASN HD22 H 6.987 . . 1071 106 106 ASN C C 178.180 . . 1072 106 106 ASN CA C 58.259 . . 1073 106 106 ASN CB C 42.393 . . 1074 106 106 ASN CG C 180.350 . . 1075 106 106 ASN N N 117.989 . . 1076 106 106 ASN ND2 N 110.626 . . 1077 107 107 ILE H H 8.069 . . 1078 107 107 ILE HA H 3.739 . . 1079 107 107 ILE HB H 1.751 . . 1080 107 107 ILE HG12 H 0.712 . . 1081 107 107 ILE HG13 H 0.712 . . 1082 107 107 ILE HG2 H 1.192 . . 1083 107 107 ILE HD1 H 0.611 . . 1084 107 107 ILE C C 176.202 . . 1085 107 107 ILE CA C 62.684 . . 1086 107 107 ILE CB C 34.701 . . 1087 107 107 ILE CG1 C 24.347 . . 1088 107 107 ILE CG2 C 29.331 . . 1089 107 107 ILE CD1 C 23.199 . . 1090 107 107 ILE N N 113.665 . . 1091 108 108 LEU H H 8.551 . . 1092 108 108 LEU HA H 4.370 . . 1093 108 108 LEU C C 174.388 . . 1094 108 108 LEU CA C 55.495 . . 1095 108 108 LEU CB C 42.102 . . 1096 108 108 LEU N N 122.825 . . 1097 109 109 SER H H 8.363 . . 1098 109 109 SER HA H 4.725 . . 1099 109 109 SER C C 177.957 . . 1100 109 109 SER CA C 58.139 . . 1101 109 109 SER CB C 64.256 . . 1102 109 109 SER N N 129.904 . . 1103 110 110 HIS H H 8.345 . . 1104 110 110 HIS HA H 4.280 . . 1105 110 110 HIS HB2 H 2.940 . . 1106 110 110 HIS HB3 H 2.399 . . 1107 110 110 HIS HE1 H 9.301 . . 1108 110 110 HIS C C 173.751 . . 1109 110 110 HIS N N 121.851 . . 1110 111 111 ALA H H 8.474 . . 1111 111 111 ALA HA H 4.056 . . 1112 111 111 ALA HB H 1.585 . . 1113 111 111 ALA C C 175.343 . . 1114 111 111 ALA CA C 55.249 . . 1115 111 111 ALA CB C 18.410 . . 1116 111 111 ALA N N 123.270 . . 1117 112 112 PHE H H 8.197 . . 1118 112 112 PHE HB2 H 4.133 . . 1119 112 112 PHE HB3 H 4.133 . . 1120 112 112 PHE HE1 H 7.097 . . 1121 112 112 PHE HE2 H 7.097 . . 1122 112 112 PHE HZ H 9.288 . . 1123 112 112 PHE C C 177.887 . . 1124 112 112 PHE CA C 61.288 . . 1125 112 112 PHE CB C 41.992 . . 1126 112 112 PHE N N 121.679 . . 1127 113 113 CYS H H 8.362 . . 1128 113 113 CYS HA H 4.539 . . 1129 113 113 CYS HB2 H 3.330 . . 1130 113 113 CYS HB3 H 3.330 . . 1131 113 113 CYS C C 177.574 . . 1132 113 113 CYS CA C 52.218 . . 1133 113 113 CYS CB C 32.583 . . 1134 113 113 CYS N N 120.597 . . 1135 114 114 ASP H H 8.056 . . 1136 114 114 ASP HA H 4.547 . . 1137 114 114 ASP HB2 H 2.651 . . 1138 114 114 ASP HB3 H 2.651 . . 1139 114 114 ASP C C 177.845 . . 1140 114 114 ASP CA C 53.612 . . 1141 114 114 ASP N N 119.326 . . 1142 115 115 LEU H H 8.159 . . 1143 115 115 LEU HA H 4.769 . . 1144 115 115 LEU HB2 H 1.478 . . 1145 115 115 LEU HB3 H 1.478 . . 1146 115 115 LEU HG H 0.646 . . 1147 115 115 LEU HD1 H -0.214 . . 1148 115 115 LEU HD2 H 0.280 . . 1149 115 115 LEU CA C 57.168 . . 1150 115 115 LEU CB C 37.653 . . 1151 115 115 LEU CD1 C 16.034 . . 1152 115 115 LEU N N 116.185 . . 1153 116 116 GLU HA H 4.138 . . 1154 116 116 GLU C C 178.351 . . 1155 116 116 GLU CA C 58.583 . . 1156 116 116 GLU CB C 24.444 . . 1157 117 117 THR H H 8.648 . . 1158 117 117 THR HA H 3.498 . . 1159 117 117 THR HB H 4.072 . . 1160 117 117 THR HG2 H 0.984 . . 1161 117 117 THR CA C 66.592 . . 1162 117 117 THR CB C 68.087 . . 1163 117 117 THR CG2 C 22.194 . . 1164 117 117 THR N N 110.523 . . 1165 119 119 LYS C C 175.105 . . 1166 119 119 LYS CA C 55.405 . . 1167 119 119 LYS CE C 42.179 . . 1168 120 120 ASP H H 7.839 . . 1169 120 120 ASP HA H 4.710 . . 1170 120 120 ASP C C 173.734 . . 1171 120 120 ASP CA C 51.734 . . 1172 120 120 ASP N N 115.506 . . 1173 121 121 LYS H H 8.999 . . 1174 121 121 LYS HA H 5.117 . . 1175 121 121 LYS CA C 61.704 . . 1176 121 121 LYS N N 129.440 . . 1177 122 122 PRO C C 173.529 . . 1178 122 122 PRO CA C 66.331 . . 1179 122 122 PRO CB C 26.701 . . 1180 123 123 TRP H H 8.458 . . 1181 123 123 TRP HA H 4.775 . . 1182 123 123 TRP HB2 H 2.839 . . 1183 123 123 TRP HB3 H 3.027 . . 1184 123 123 TRP HE1 H 10.600 . . 1185 123 123 TRP HZ2 H 6.740 . . 1186 123 123 TRP CA C 54.518 . . 1187 123 123 TRP CB C 31.636 . . 1188 123 123 TRP N N 123.828 . . 1189 123 123 TRP NE1 N 132.812 . . 1190 124 124 PHE C C 174.675 . . 1191 124 124 PHE CA C 60.860 . . 1192 124 124 PHE CB C 40.688 . . 1193 125 125 HIS H H 8.598 . . 1194 125 125 HIS HA H 4.851 . . 1195 125 125 HIS HD2 H 6.890 . . 1196 125 125 HIS HE1 H 7.078 . . 1197 125 125 HIS C C 174.989 . . 1198 125 125 HIS CA C 54.578 . . 1199 125 125 HIS CB C 31.082 . . 1200 125 125 HIS N N 117.297 . . 1201 126 126 ILE H H 9.339 . . 1202 126 126 ILE HA H 4.838 . . 1203 126 126 ILE HB H 1.716 . . 1204 126 126 ILE HG12 H 1.092 . . 1205 126 126 ILE HG13 H 1.092 . . 1206 126 126 ILE HG2 H 0.823 . . 1207 126 126 ILE HD1 H 0.879 . . 1208 126 126 ILE C C 174.838 . . 1209 126 126 ILE CA C 60.996 . . 1210 126 126 ILE CB C 40.081 . . 1211 126 126 ILE CG1 C 28.312 . . 1212 126 126 ILE CG2 C 17.065 . . 1213 126 126 ILE CD1 C 14.479 . . 1214 126 126 ILE N N 120.850 . . 1215 127 127 ASN H H 8.564 . . 1216 127 127 ASN HA H 4.818 . . 1217 127 127 ASN HB2 H 2.697 . . 1218 127 127 ASN HB3 H 2.658 . . 1219 127 127 ASN HD21 H 6.868 . . 1220 127 127 ASN HD22 H 7.830 . . 1221 127 127 ASN C C 173.256 . . 1222 127 127 ASN CA C 52.804 . . 1223 127 127 ASN CB C 39.159 . . 1224 127 127 ASN N N 124.975 . . 1225 127 127 ASN ND2 N 113.330 . . 1226 128 128 ALA H H 8.348 . . 1227 128 128 ALA HA H 4.855 . . 1228 128 128 ALA HB H 1.220 . . 1229 128 128 ALA C C 177.248 . . 1230 128 128 ALA CA C 51.014 . . 1231 128 128 ALA CB C 21.108 . . 1232 128 128 ALA N N 125.752 . . 1233 129 129 GLN H H 8.632 . . 1234 129 129 GLN HA H 4.585 . . 1235 129 129 GLN HB2 H 2.316 . . 1236 129 129 GLN HB3 H 1.948 . . 1237 129 129 GLN HG2 H 2.326 . . 1238 129 129 GLN HG3 H 2.324 . . 1239 129 129 GLN HE21 H 6.777 . . 1240 129 129 GLN HE22 H 7.478 . . 1241 129 129 GLN CA C 53.596 . . 1242 129 129 GLN CB C 29.324 . . 1243 129 129 GLN CG C 33.781 . . 1244 129 129 GLN CD C 180.194 . . 1245 129 129 GLN N N 121.367 . . 1246 129 129 GLN NE2 N 112.062 . . 1247 130 130 PRO C C 176.450 . . 1248 130 130 PRO CA C 63.676 . . 1249 130 130 PRO CB C 31.280 . . 1250 130 130 PRO CG C 27.217 . . 1251 130 130 PRO CD C 53.833 . . 1252 131 131 ASP H H 8.176 . . 1253 131 131 ASP HA H 4.506 . . 1254 131 131 ASP HB2 H 2.697 . . 1255 131 131 ASP HB3 H 2.644 . . 1256 131 131 ASP C C 175.795 . . 1257 131 131 ASP CA C 53.556 . . 1258 131 131 ASP CB C 40.984 . . 1259 131 131 ASP N N 118.874 . . 1260 132 132 ALA H H 8.150 . . 1261 132 132 ALA HA H 4.104 . . 1262 132 132 ALA HB H 1.288 . . 1263 132 132 ALA C C 178.243 . . 1264 132 132 ALA CA C 53.363 . . 1265 132 132 ALA CB C 18.569 . . 1266 132 132 ALA N N 122.171 . . 1267 133 133 GLY H H 8.243 . . 1268 133 133 GLY HA2 H 4.703 . . 1269 133 133 GLY HA3 H 3.796 . . 1270 133 133 GLY C C 174.330 . . 1271 133 133 GLY CA C 45.644 . . 1272 133 133 GLY N N 106.780 . . 1273 134 134 HIS H H 8.054 . . 1274 134 134 HIS HA H 4.694 . . 1275 134 134 HIS HB2 H 3.212 . . 1276 134 134 HIS HB3 H 3.212 . . 1277 134 134 HIS C C 174.270 . . 1278 134 134 HIS CA C 55.526 . . 1279 134 134 HIS CB C 28.324 . . 1280 134 134 HIS N N 117.527 . . 1281 135 135 SER H H 8.523 . . 1282 135 135 SER HA H 4.695 . . 1283 135 135 SER HB2 H 4.410 . . 1284 135 135 SER HB3 H 3.679 . . 1285 135 135 SER C C 173.834 . . 1286 135 135 SER CA C 58.958 . . 1287 135 135 SER CB C 63.600 . . 1288 135 135 SER N N 116.029 . . 1289 136 136 VAL H H 8.487 . . 1290 136 136 VAL HA H 4.403 . . 1291 136 136 VAL HB H 2.333 . . 1292 136 136 VAL C C 175.835 . . 1293 136 136 VAL CA C 62.700 . . 1294 136 136 VAL CG1 C 21.637 . . 1295 136 136 VAL CG2 C 21.637 . . 1296 136 136 VAL N N 122.838 . . 1297 137 137 THR H H 8.644 . . 1298 137 137 THR HA H 4.250 . . 1299 137 137 THR HB H 3.855 . . 1300 137 137 THR HG2 H 0.875 . . 1301 137 137 THR C C 172.599 . . 1302 137 137 THR CA C 62.759 . . 1303 137 137 THR CB C 68.346 . . 1304 137 137 THR CG2 C 21.032 . . 1305 137 137 THR N N 119.927 . . 1306 138 138 SER H H 9.298 . . 1307 138 138 SER HA H 5.876 . . 1308 138 138 SER HB2 H 3.674 . . 1309 138 138 SER HB3 H 3.687 . . 1310 138 138 SER C C 172.271 . . 1311 138 138 SER CA C 56.547 . . 1312 138 138 SER CB C 67.405 . . 1313 138 138 SER N N 114.617 . . 1314 139 139 TYR H H 9.650 . . 1315 139 139 TYR HA H 5.625 . . 1316 139 139 TYR HB2 H 3.085 . . 1317 139 139 TYR HD1 H 6.630 . . 1318 139 139 TYR HD2 H 6.630 . . 1319 139 139 TYR C C 176.627 . . 1320 139 139 TYR CA C 56.492 . . 1321 139 139 TYR CB C 40.290 . . 1322 139 139 TYR N N 127.677 . . 1323 140 140 SER H H 8.291 . . 1324 140 140 SER HA H 4.508 . . 1325 140 140 SER C C 179.521 . . 1326 140 140 SER CA C 57.788 . . 1327 140 140 SER CB C 65.851 . . 1328 140 140 SER N N 116.201 . . 1329 141 141 TYR H H 9.767 . . 1330 141 141 TYR HA H 3.912 . . 1331 141 141 TYR HD1 H 7.304 . . 1332 141 141 TYR HD2 H 7.304 . . 1333 141 141 TYR C C 176.426 . . 1334 141 141 TYR CA C 55.361 . . 1335 141 141 TYR CB C 42.188 . . 1336 141 141 TYR N N 128.182 . . 1337 142 142 SER H H 8.321 . . 1338 142 142 SER HA H 3.768 . . 1339 142 142 SER HB2 H 4.141 . . 1340 142 142 SER HB3 H 4.262 . . 1341 142 142 SER C C 177.070 . . 1342 142 142 SER CA C 63.344 . . 1343 142 142 SER CB C 64.262 . . 1344 142 142 SER N N 119.214 . . 1345 143 143 LEU H H 8.511 . . 1346 143 143 LEU HA H 4.669 . . 1347 143 143 LEU C C 178.159 . . 1348 143 143 LEU CA C 55.502 . . 1349 143 143 LEU CB C 42.191 . . 1350 143 143 LEU N N 120.299 . . 1351 144 144 PHE H H 8.313 . . 1352 144 144 PHE HA H 4.125 . . 1353 144 144 PHE HD1 H 6.978 . . 1354 144 144 PHE HD2 H 6.978 . . 1355 144 144 PHE HZ H 6.701 . . 1356 144 144 PHE C C 176.452 . . 1357 144 144 PHE CA C 57.910 . . 1358 144 144 PHE CB C 45.427 . . 1359 144 144 PHE N N 112.517 . . 1360 145 145 ILE H H 7.602 . . 1361 145 145 ILE HA H 3.546 . . 1362 145 145 ILE C C 183.316 . . 1363 145 145 ILE CA C 63.144 . . 1364 145 145 ILE CB C 37.249 . . 1365 145 145 ILE CG1 C 29.218 . . 1366 145 145 ILE N N 105.765 . . 1367 146 146 VAL H H 9.580 . . 1368 146 146 VAL HA H 5.904 . . 1369 146 146 VAL HB H 2.238 . . 1370 146 146 VAL HG1 H 1.116 . . 1371 146 146 VAL HG2 H 1.000 . . 1372 146 146 VAL C C 176.556 . . 1373 146 146 VAL CA C 57.787 . . 1374 146 146 VAL CB C 34.782 . . 1375 146 146 VAL N N 119.305 . . 1376 147 147 SER H H 7.968 . . 1377 147 147 SER HA H 5.158 . . 1378 147 147 SER HB2 H 4.538 . . 1379 147 147 SER HB3 H 4.013 . . 1380 147 147 SER C C 177.083 . . 1381 147 147 SER CA C 58.183 . . 1382 147 147 SER CB C 66.286 . . 1383 147 147 SER N N 120.007 . . 1384 148 148 GLN H H 8.535 . . 1385 148 148 GLN HA H 5.398 . . 1386 148 148 GLN HE21 H 7.449 . . 1387 148 148 GLN HE22 H 7.054 . . 1388 148 148 GLN C C 174.159 . . 1389 148 148 GLN CA C 55.549 . . 1390 148 148 GLN CB C 30.976 . . 1391 148 148 GLN N N 116.765 . . 1392 149 149 GLY H H 8.608 . . 1393 149 149 GLY HA2 H 4.306 . . 1394 149 149 GLY HA3 H 3.828 . . 1395 149 149 GLY C C 174.134 . . 1396 149 149 GLY CA C 45.768 . . 1397 149 149 GLY N N 115.599 . . 1398 150 150 GLU H H 9.024 . . 1399 150 150 GLU HA H 4.721 . . 1400 150 150 GLU HG2 H 2.327 . . 1401 150 150 GLU HG3 H 2.326 . . 1402 150 150 GLU C C 179.384 . . 1403 150 150 GLU CA C 59.995 . . 1404 150 150 GLU CB C 29.760 . . 1405 150 150 GLU CG C 35.973 . . 1406 150 150 GLU N N 124.732 . . 1407 151 151 GLU H H 8.902 . . 1408 151 151 GLU HA H 4.043 . . 1409 151 151 GLU HB2 H 2.004 . . 1410 151 151 GLU HB3 H 2.096 . . 1411 151 151 GLU HG2 H 2.242 . . 1412 151 151 GLU HG3 H 2.240 . . 1413 151 151 GLU C C 177.697 . . 1414 151 151 GLU CA C 58.404 . . 1415 151 151 GLU CB C 29.827 . . 1416 151 151 GLU CG C 36.763 . . 1417 151 151 GLU N N 115.633 . . 1418 152 152 THR H H 7.669 . . 1419 152 152 THR HA H 4.184 . . 1420 152 152 THR HB H 4.252 . . 1421 152 152 THR HG2 H 0.862 . . 1422 152 152 THR C C 176.317 . . 1423 152 152 THR CA C 62.133 . . 1424 152 152 THR CB C 68.241 . . 1425 152 152 THR CG2 C 20.860 . . 1426 152 152 THR N N 106.824 . . 1427 153 153 GLY H H 7.539 . . 1428 153 153 GLY HA2 H 3.818 . . 1429 153 153 GLY HA3 H 3.769 . . 1430 153 153 GLY C C 174.396 . . 1431 153 153 GLY CA C 47.597 . . 1432 153 153 GLY N N 110.862 . . 1433 154 154 ALA H H 8.915 . . 1434 154 154 ALA HA H 4.467 . . 1435 154 154 ALA HB H 1.406 . . 1436 154 154 ALA C C 176.228 . . 1437 154 154 ALA CA C 52.091 . . 1438 154 154 ALA CB C 18.354 . . 1439 154 154 ALA N N 130.486 . . 1440 155 155 MET H H 7.793 . . 1441 155 155 MET HA H 5.019 . . 1442 155 155 MET HG2 H 2.447 . . 1443 155 155 MET HG3 H 2.447 . . 1444 155 155 MET HE H 1.683 . . 1445 155 155 MET C C 174.578 . . 1446 155 155 MET CA C 53.488 . . 1447 155 155 MET CB C 35.188 . . 1448 155 155 MET N N 116.154 . . 1449 156 156 MET H H 8.991 . . 1450 156 156 MET HA H 4.528 . . 1451 156 156 MET HE H 0.505 . . 1452 156 156 MET C C 173.509 . . 1453 156 156 MET CA C 54.727 . . 1454 156 156 MET CB C 36.039 . . 1455 156 156 MET CG C 32.172 . . 1456 156 156 MET N N 119.574 . . 1457 157 157 ALA H H 8.609 . . 1458 157 157 ALA HA H 5.711 . . 1459 157 157 ALA HB H 1.114 . . 1460 157 157 ALA C C 175.971 . . 1461 157 157 ALA CA C 49.602 . . 1462 157 157 ALA CB C 22.267 . . 1463 157 157 ALA N N 127.350 . . 1464 158 158 ALA H H 9.146 . . 1465 158 158 ALA HA H 5.568 . . 1466 158 158 ALA HB H 1.216 . . 1467 158 158 ALA C C 174.008 . . 1468 158 158 ALA CA C 50.330 . . 1469 158 158 ALA CB C 25.748 . . 1470 158 158 ALA N N 121.831 . . 1471 159 159 GLY H H 7.337 . . 1472 159 159 GLY HA2 H 4.753 . . 1473 159 159 GLY HA3 H 3.944 . . 1474 159 159 GLY CA C 43.460 . . 1475 159 159 GLY N N 116.463 . . 1476 160 160 PRO HA H 4.418 . . 1477 160 160 PRO HB2 H 2.253 . . 1478 160 160 PRO HB3 H 2.253 . . 1479 160 160 PRO HG2 H 1.959 . . 1480 160 160 PRO HG3 H 1.959 . . 1481 160 160 PRO HD2 H 3.446 . . 1482 160 160 PRO HD3 H 3.447 . . 1483 160 160 PRO C C 173.574 . . 1484 160 160 PRO CA C 63.134 . . 1485 160 160 PRO CB C 35.776 . . 1486 160 160 PRO CG C 29.703 . . 1487 160 160 PRO CD C 51.041 . . 1488 161 161 LEU H H 6.743 . . 1489 161 161 LEU HA H 4.724 . . 1490 161 161 LEU HB2 H 1.971 . . 1491 161 161 LEU HB3 H 1.971 . . 1492 161 161 LEU HG H 2.419 . . 1493 161 161 LEU HD1 H 0.830 . . 1494 161 161 LEU HD2 H 0.602 . . 1495 161 161 LEU CA C 52.278 . . 1496 161 161 LEU CB C 40.273 . . 1497 161 161 LEU CD1 C 22.810 . . 1498 161 161 LEU N N 113.660 . . 1499 162 162 ILE H H 7.631 . . 1500 162 162 ILE HA H 4.512 . . 1501 162 162 ILE C C 176.631 . . 1502 162 162 ILE CA C 61.178 . . 1503 162 162 ILE CB C 42.176 . . 1504 162 162 ILE CG1 C 26.903 . . 1505 162 162 ILE CG2 C 24.171 . . 1506 162 162 ILE CD1 C 16.933 . . 1507 162 162 ILE N N 119.348 . . 1508 163 163 ILE H H 9.319 . . 1509 163 163 ILE HA H 4.968 . . 1510 163 163 ILE HB H 1.968 . . 1511 163 163 ILE HG12 H 1.575 . . 1512 163 163 ILE HG13 H 1.533 . . 1513 163 163 ILE HG2 H 0.753 . . 1514 163 163 ILE HD1 H -0.141 . . 1515 163 163 ILE C C 175.136 . . 1516 163 163 ILE CA C 60.075 . . 1517 163 163 ILE CB C 39.666 . . 1518 163 163 ILE CG1 C 28.163 . . 1519 163 163 ILE CG2 C 17.097 . . 1520 163 163 ILE CD1 C 11.258 . . 1521 163 163 ILE N N 131.372 . . 1522 164 164 THR H H 9.732 . . 1523 164 164 THR HA H 5.149 . . 1524 164 164 THR HB H 3.824 . . 1525 164 164 THR HG2 H 1.002 . . 1526 164 164 THR CA C 61.885 . . 1527 164 164 THR CB C 70.159 . . 1528 164 164 THR CG2 C 20.901 . . 1529 164 164 THR N N 124.446 . . 1530 165 165 VAL H H 8.629 . . 1531 165 165 VAL HA H 4.830 . . 1532 165 165 VAL HB H 1.927 . . 1533 165 165 VAL HG1 H 1.004 . . 1534 165 165 VAL HG2 H 0.610 . . 1535 165 165 VAL C C 174.200 . . 1536 165 165 VAL CA C 61.008 . . 1537 165 165 VAL CB C 33.635 . . 1538 165 165 VAL CG1 C 22.557 . . 1539 165 165 VAL CG2 C 17.259 . . 1540 165 165 VAL N N 121.295 . . 1541 166 166 THR H H 9.533 . . 1542 166 166 THR HA H 5.381 . . 1543 166 166 THR HB H 3.471 . . 1544 166 166 THR HG2 H 1.922 . . 1545 166 166 THR CA C 57.194 . . 1546 166 166 THR CB C 66.403 . . 1547 166 166 THR N N 121.980 . . 1548 167 167 PRO HA H 4.276 . . 1549 167 167 PRO HB2 H 1.841 . . 1550 167 167 PRO HB3 H 2.033 . . 1551 167 167 PRO C C 176.397 . . 1552 167 167 PRO CA C 57.079 . . 1553 167 167 PRO CB C 33.883 . . 1554 167 167 PRO CG C 25.081 . . 1555 168 168 ASN H H 7.939 . . 1556 168 168 ASN HA H 4.524 . . 1557 168 168 ASN HB2 H 2.918 . . 1558 168 168 ASN HB3 H 2.826 . . 1559 168 168 ASN HD21 H 7.695 . . 1560 168 168 ASN HD22 H 6.976 . . 1561 168 168 ASN C C 175.354 . . 1562 168 168 ASN CA C 55.236 . . 1563 168 168 ASN CB C 38.576 . . 1564 168 168 ASN CG C 176.865 . . 1565 168 168 ASN N N 118.434 . . 1566 168 168 ASN ND2 N 113.448 . . 1567 169 169 THR H H 7.781 . . 1568 169 169 THR HA H 4.347 . . 1569 169 169 THR HB H 4.095 . . 1570 169 169 THR HG2 H 1.172 . . 1571 169 169 THR C C 173.008 . . 1572 169 169 THR CA C 60.692 . . 1573 169 169 THR CB C 70.435 . . 1574 169 169 THR CG2 C 21.105 . . 1575 169 169 THR N N 111.639 . . 1576 170 170 ALA H H 8.194 . . 1577 170 170 ALA HA H 4.294 . . 1578 170 170 ALA HB H 1.235 . . 1579 170 170 ALA C C 178.037 . . 1580 170 170 ALA CA C 52.970 . . 1581 170 170 ALA CB C 19.011 . . 1582 170 170 ALA N N 124.543 . . 1583 171 171 ILE H H 8.266 . . 1584 171 171 ILE HA H 4.712 . . 1585 171 171 ILE HB H 1.738 . . 1586 171 171 ILE HG12 H 1.137 . . 1587 171 171 ILE HG13 H 1.488 . . 1588 171 171 ILE HG2 H 0.762 . . 1589 171 171 ILE HD1 H 0.500 . . 1590 171 171 ILE C C 174.085 . . 1591 171 171 ILE CA C 63.949 . . 1592 171 171 ILE CB C 45.525 . . 1593 171 171 ILE CG1 C 33.597 . . 1594 171 171 ILE N N 120.451 . . 1595 172 172 SER H H 8.027 . . 1596 172 172 SER HA H 5.480 . . 1597 172 172 SER HB2 H 3.922 . . 1598 172 172 SER HB3 H 4.338 . . 1599 172 172 SER C C 176.221 . . 1600 172 172 SER CA C 58.100 . . 1601 172 172 SER CB C 65.095 . . 1602 172 172 SER N N 117.420 . . 1603 173 173 ASP H H 8.842 . . 1604 173 173 ASP HA H 4.787 . . 1605 173 173 ASP HB2 H 3.342 . . 1606 173 173 ASP HB3 H 2.656 . . 1607 173 173 ASP C C 178.117 . . 1608 173 173 ASP CA C 52.061 . . 1609 173 173 ASP CB C 41.583 . . 1610 173 173 ASP N N 121.622 . . 1611 174 174 ILE H H 8.319 . . 1612 174 174 ILE HA H 4.340 . . 1613 174 174 ILE HD1 H 0.529 . . 1614 174 174 ILE C C 177.125 . . 1615 174 174 ILE CA C 63.363 . . 1616 174 174 ILE CB C 39.312 . . 1617 174 174 ILE CG1 C 32.340 . . 1618 174 174 ILE CG2 C 27.082 . . 1619 174 174 ILE CD1 C 13.555 . . 1620 174 174 ILE N N 116.648 . . 1621 175 175 PHE H H 8.502 . . 1622 175 175 PHE HD1 H 7.131 . . 1623 175 175 PHE HD2 H 7.131 . . 1624 175 175 PHE C C 179.928 . . 1625 175 175 PHE CA C 55.478 . . 1626 175 175 PHE CB C 42.168 . . 1627 175 175 PHE N N 119.189 . . 1628 176 176 ASN H H 7.144 . . 1629 176 176 ASN HD21 H 7.351 . . 1630 176 176 ASN HD22 H 6.648 . . 1631 176 176 ASN C C 178.224 . . 1632 176 176 ASN CA C 55.110 . . 1633 176 176 ASN N N 121.281 . . 1634 176 176 ASN ND2 N 112.115 . . 1635 177 177 THR H H 8.365 . . 1636 177 177 THR HA H 5.213 . . 1637 177 177 THR HB H 4.043 . . 1638 177 177 THR HG2 H 0.759 . . 1639 177 177 THR CA C 66.827 . . 1640 177 177 THR CB C 73.361 . . 1641 177 177 THR CG2 C 21.173 . . 1642 177 177 THR N N 121.163 . . 1643 178 178 LYS H H 8.835 . . 1644 178 178 LYS HA H 5.585 . . 1645 178 178 LYS HB2 H 2.487 . . 1646 178 178 LYS HB3 H 2.487 . . 1647 178 178 LYS HE2 H 3.513 . . 1648 178 178 LYS HE3 H 3.513 . . 1649 178 178 LYS HZ H 8.320 . . 1650 178 178 LYS C C 177.062 . . 1651 178 178 LYS CA C 62.518 . . 1652 178 178 LYS CB C 32.334 . . 1653 178 178 LYS N N 123.684 . . 1654 178 178 LYS NZ N 71.562 . . 1655 179 179 ASP H H 8.516 . . 1656 179 179 ASP HA H 4.717 . . 1657 179 179 ASP HB2 H 2.868 . . 1658 179 179 ASP HB3 H 2.249 . . 1659 179 179 ASP C C 177.961 . . 1660 179 179 ASP CA C 55.496 . . 1661 179 179 ASP CB C 42.182 . . 1662 179 179 ASP N N 123.297 . . 1663 180 180 TRP H H 8.328 . . 1664 180 180 TRP HA H 4.410 . . 1665 180 180 TRP HE1 H 10.572 . . 1666 180 180 TRP HZ2 H 6.763 . . 1667 180 180 TRP CA C 58.139 . . 1668 180 180 TRP CB C 42.171 . . 1669 180 180 TRP N N 106.653 . . 1670 180 180 TRP NE1 N 132.910 . . 1671 181 181 ARG H H 8.524 . . 1672 181 181 ARG HA H 4.540 . . 1673 181 181 ARG HB2 H 2.032 . . 1674 181 181 ARG HB3 H 1.899 . . 1675 181 181 ARG HG2 H 2.303 . . 1676 181 181 ARG HG3 H 2.303 . . 1677 181 181 ARG HE H 7.593 . . 1678 181 181 ARG CA C 62.958 . . 1679 181 181 ARG N N 110.386 . . 1680 181 181 ARG NE N 111.898 . . 1681 182 182 LEU H H 7.671 . . 1682 182 182 LEU HD2 H 0.351 . . 1683 182 182 LEU C C 173.981 . . 1684 182 182 LEU CA C 59.285 . . 1685 182 182 LEU CB C 45.424 . . 1686 182 182 LEU N N 118.093 . . 1687 183 183 THR H H 8.113 . . 1688 183 183 THR HA H 4.241 . . 1689 183 183 THR HB H 4.141 . . 1690 183 183 THR HG2 H 1.110 . . 1691 183 183 THR C C 172.066 . . 1692 183 183 THR CA C 58.065 . . 1693 183 183 THR CB C 70.063 . . 1694 183 183 THR CG2 C 21.898 . . 1695 183 183 THR N N 106.754 . . 1696 184 184 LEU H H 9.398 . . 1697 184 184 LEU HA H 5.413 . . 1698 184 184 LEU HB2 H 1.963 . . 1699 184 184 LEU HB3 H 2.388 . . 1700 184 184 LEU HG H 1.442 . . 1701 184 184 LEU HD2 H 0.369 . . 1702 184 184 LEU C C 174.350 . . 1703 184 184 LEU CA C 53.992 . . 1704 184 184 LEU CB C 39.265 . . 1705 184 184 LEU N N 123.057 . . 1706 185 185 GLN H H 8.167 . . 1707 185 185 GLN HA H 4.717 . . 1708 185 185 GLN HB2 H 2.662 . . 1709 185 185 GLN HB3 H 2.831 . . 1710 185 185 GLN HE21 H 6.994 . . 1711 185 185 GLN HE22 H 7.706 . . 1712 185 185 GLN CA C 55.483 . . 1713 185 185 GLN CB C 30.669 . . 1714 185 185 GLN N N 117.632 . . 1715 185 185 GLN NE2 N 113.584 . . 1716 186 186 LYS H H 8.417 . . 1717 186 186 LYS HA H 5.090 . . 1718 186 186 LYS HB2 H 2.501 . . 1719 186 186 LYS HB3 H 2.501 . . 1720 186 186 LYS HG2 H 0.592 . . 1721 186 186 LYS HG3 H 0.590 . . 1722 186 186 LYS HD2 H 1.963 . . 1723 186 186 LYS HD3 H 1.846 . . 1724 186 186 LYS HE2 H 1.875 . . 1725 186 186 LYS HE3 H 2.502 . . 1726 186 186 LYS C C 175.550 . . 1727 186 186 LYS CA C 63.594 . . 1728 186 186 LYS CB C 34.457 . . 1729 186 186 LYS CG C 21.856 . . 1730 186 186 LYS CE C 41.687 . . 1731 187 187 GLU H H 7.519 . . 1732 187 187 GLU HA H 4.460 . . 1733 187 187 GLU CA C 58.148 . . 1734 187 187 GLU CB C 34.281 . . 1735 187 187 GLU N N 118.780 . . 1736 188 188 GLU H H 7.408 . . 1737 188 188 GLU N N 111.844 . . 1738 189 189 ILE H H 7.324 . . 1739 189 189 ILE HA H 4.534 . . 1740 189 189 ILE HB H 1.620 . . 1741 189 189 ILE C C 176.173 . . 1742 189 189 ILE CA C 57.599 . . 1743 189 189 ILE CB C 45.492 . . 1744 189 189 ILE CG1 C 33.868 . . 1745 189 189 ILE CG2 C 26.063 . . 1746 189 189 ILE N N 118.535 . . 1747 190 190 THR H H 6.776 . . 1748 190 190 THR HA H 4.034 . . 1749 190 190 THR HB H 4.266 . . 1750 190 190 THR HG2 H 0.840 . . 1751 190 190 THR C C 173.997 . . 1752 190 190 THR CA C 62.277 . . 1753 190 190 THR CB C 72.017 . . 1754 190 190 THR CG2 C 21.737 . . 1755 190 190 THR N N 104.686 . . 1756 191 191 ILE H H 9.473 . . 1757 191 191 ILE HA H 5.032 . . 1758 191 191 ILE HB H 1.771 . . 1759 191 191 ILE HG12 H 1.072 . . 1760 191 191 ILE HG13 H 1.562 . . 1761 191 191 ILE HG2 H 0.842 . . 1762 191 191 ILE HD1 H 0.806 . . 1763 191 191 ILE C C 174.411 . . 1764 191 191 ILE CA C 59.216 . . 1765 191 191 ILE CB C 40.566 . . 1766 191 191 ILE CG1 C 28.180 . . 1767 191 191 ILE CG2 C 18.419 . . 1768 191 191 ILE CD1 C 14.767 . . 1769 191 191 ILE N N 128.396 . . 1770 192 192 GLY H H 9.523 . . 1771 192 192 GLY HA2 H 5.251 . . 1772 192 192 GLY HA3 H 3.673 . . 1773 192 192 GLY C C 172.887 . . 1774 192 192 GLY CA C 44.080 . . 1775 192 192 GLY N N 115.274 . . 1776 193 193 VAL H H 8.716 . . 1777 193 193 VAL HA H 5.010 . . 1778 193 193 VAL HB H 1.853 . . 1779 193 193 VAL HG1 H 0.836 . . 1780 193 193 VAL HG2 H 0.701 . . 1781 193 193 VAL C C 174.625 . . 1782 193 193 VAL CA C 61.249 . . 1783 193 193 VAL CB C 34.874 . . 1784 193 193 VAL CG1 C 21.616 . . 1785 193 193 VAL CG2 C 22.092 . . 1786 193 193 VAL N N 122.189 . . 1787 194 194 LYS H H 8.227 . . 1788 194 194 LYS HA H 5.139 . . 1789 194 194 LYS HB2 H 1.852 . . 1790 194 194 LYS HB3 H 1.650 . . 1791 194 194 LYS HG2 H 0.697 . . 1792 194 194 LYS HG3 H 0.697 . . 1793 194 194 LYS HE2 H 3.807 . . 1794 194 194 LYS HE3 H 3.810 . . 1795 194 194 LYS C C 174.921 . . 1796 194 194 LYS CA C 53.674 . . 1797 194 194 LYS CB C 37.630 . . 1798 194 194 LYS CD C 31.891 . . 1799 194 194 LYS CE C 40.993 . . 1800 194 194 LYS N N 124.417 . . 1801 195 195 GLY H H 8.113 . . 1802 195 195 GLY HA2 H 3.803 . . 1803 195 195 GLY HA3 H 3.045 . . 1804 195 195 GLY C C 172.517 . . 1805 195 195 GLY CA C 46.547 . . 1806 195 195 GLY N N 106.816 . . 1807 196 196 PHE H H 7.657 . . 1808 196 196 PHE HA H 4.777 . . 1809 196 196 PHE C C 175.137 . . 1810 196 196 PHE CA C 57.137 . . 1811 196 196 PHE CB C 41.190 . . 1812 196 196 PHE N N 113.526 . . 1813 197 197 GLN H H 8.346 . . 1814 197 197 GLN HA H 4.164 . . 1815 197 197 GLN HE22 H 7.396 . . 1816 197 197 GLN C C 178.144 . . 1817 197 197 GLN CA C 58.311 . . 1818 197 197 GLN CB C 29.233 . . 1819 197 197 GLN CG C 33.518 . . 1820 197 197 GLN N N 122.439 . . 1821 197 197 GLN NE2 N 111.981 . . 1822 198 198 VAL H H 8.009 . . 1823 198 198 VAL HA H 3.867 . . 1824 198 198 VAL HB H 1.787 . . 1825 198 198 VAL HG1 H 0.563 . . 1826 198 198 VAL HG2 H 0.563 . . 1827 198 198 VAL C C 175.200 . . 1828 198 198 VAL CA C 57.801 . . 1829 198 198 VAL CG1 C 21.568 . . 1830 198 198 VAL CG2 C 17.740 . . 1831 198 198 VAL N N 118.821 . . 1832 199 199 VAL H H 8.739 . . 1833 199 199 VAL HA H 5.777 . . 1834 199 199 VAL HB H 1.974 . . 1835 199 199 VAL HG1 H 0.880 . . 1836 199 199 VAL HG2 H 0.874 . . 1837 199 199 VAL C C 175.785 . . 1838 199 199 VAL CA C 58.674 . . 1839 199 199 VAL CB C 36.651 . . 1840 199 199 VAL CG1 C 21.820 . . 1841 199 199 VAL CG2 C 18.620 . . 1842 199 199 VAL N N 109.916 . . 1843 200 200 THR H H 8.426 . . 1844 200 200 THR HA H 5.221 . . 1845 200 200 THR HB H 4.065 . . 1846 200 200 THR HG2 H 0.983 . . 1847 200 200 THR CA C 58.077 . . 1848 200 200 THR CB C 72.487 . . 1849 200 200 THR CG2 C 18.708 . . 1850 200 200 THR N N 116.695 . . 1851 201 201 PRO HA H 4.159 . . 1852 201 201 PRO HB2 H 1.819 . . 1853 201 201 PRO HB3 H 2.394 . . 1854 201 201 PRO HG2 H 1.445 . . 1855 201 201 PRO HG3 H 0.907 . . 1856 201 201 PRO HD2 H 3.292 . . 1857 201 201 PRO HD3 H 3.291 . . 1858 201 201 PRO C C 177.755 . . 1859 201 201 PRO CA C 63.880 . . 1860 201 201 PRO CB C 32.499 . . 1861 201 201 PRO CG C 27.162 . . 1862 201 201 PRO CD C 56.256 . . 1863 202 202 LEU H H 8.149 . . 1864 202 202 LEU HA H 4.720 . . 1865 202 202 LEU HB2 H 1.434 . . 1866 202 202 LEU HB3 H 1.221 . . 1867 202 202 LEU HG H 1.034 . . 1868 202 202 LEU HD1 H 0.499 . . 1869 202 202 LEU HD2 H -0.029 . . 1870 202 202 LEU C C 177.622 . . 1871 202 202 LEU CA C 55.446 . . 1872 202 202 LEU CB C 41.032 . . 1873 202 202 LEU CG C 26.647 . . 1874 202 202 LEU CD1 C 24.961 . . 1875 202 202 LEU CD2 C 22.370 . . 1876 202 202 LEU N N 123.134 . . 1877 203 203 GLY H H 8.612 . . 1878 203 203 GLY HA2 H 3.969 . . 1879 203 203 GLY HA3 H 3.595 . . 1880 203 203 GLY CA C 46.208 . . 1881 203 203 GLY N N 117.092 . . stop_ save_