data_25766 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Zmp1, a zinc-dependent metalloprotease secreted by Clostridium difficile ; _BMRB_accession_number 25766 _BMRB_flat_file_name bmr25766.str _Entry_type original _Submission_date 2015-08-24 _Accession_date 2015-08-24 _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 Banci Lucia . . 2 Cantini Francesca . . 3 Scarselli Maria . . 4 Rubino Jeff T. . 5 Martinelli Manuele . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1140 "13C chemical shifts" 804 "15N chemical shifts" 221 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-05 update BMRB 'update entry citation' 2016-01-11 original author 'original release' stop_ _Original_release_date 2016-01-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural characterization of zinc-bound Zmp1, a zinc-dependent metalloprotease secreted by Clostridium difficile ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26711661 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rubino Jeff T. . 2 Martinelli Manuele . . 3 Cantini Francesca . . 4 Banci Lucia . . 5 Scarselli Maria . . stop_ _Journal_abbreviation 'J. Biol. Inorg. Chem.' _Journal_volume 21 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 185 _Page_last 196 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Zmp1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Zmp1 $Zmp1 'ZINC ION' $entity_ZN HOH $entity_HOH stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'zinc-dependent metalloprotease secreted by Clostridium difficil' stop_ _Database_query_date . _Details 'Zinc-containing metalloprotease. The zinc ion is bound to HIS142,HIS146,GLU185 and a water molecule' save_ ######################## # Monomeric polymers # ######################## save_Zmp1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Zmp1 _Molecular_mass 21627.457 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 195 _Mol_residue_sequence ; GDSTTIQQNKDTLSQIVVFP TGNYDKNEANAMVNRLANID GKYLNALKQNNLKIKLLSGK LTDEKEYAYLKGVVPKGWEG TGKTWDDVPGLGGSTVALRI GFSNKGKGHDAINLELHETA HAIDHIVLNDISKSAQFKQI FAKEGRSLGNVNYLGVYPEE FFAESFAYYYLNQDTNSKLK SACPQTYSFLQNLAK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 26 GLY 2 27 ASP 3 28 SER 4 29 THR 5 30 THR 6 31 ILE 7 32 GLN 8 33 GLN 9 34 ASN 10 35 LYS 11 36 ASP 12 37 THR 13 38 LEU 14 39 SER 15 40 GLN 16 41 ILE 17 42 VAL 18 43 VAL 19 44 PHE 20 45 PRO 21 46 THR 22 47 GLY 23 48 ASN 24 49 TYR 25 50 ASP 26 51 LYS 27 52 ASN 28 53 GLU 29 54 ALA 30 55 ASN 31 56 ALA 32 57 MET 33 58 VAL 34 59 ASN 35 60 ARG 36 61 LEU 37 62 ALA 38 63 ASN 39 64 ILE 40 65 ASP 41 66 GLY 42 67 LYS 43 68 TYR 44 69 LEU 45 70 ASN 46 71 ALA 47 72 LEU 48 73 LYS 49 74 GLN 50 75 ASN 51 76 ASN 52 77 LEU 53 78 LYS 54 79 ILE 55 80 LYS 56 81 LEU 57 82 LEU 58 83 SER 59 84 GLY 60 85 LYS 61 86 LEU 62 87 THR 63 88 ASP 64 89 GLU 65 90 LYS 66 91 GLU 67 92 TYR 68 93 ALA 69 94 TYR 70 95 LEU 71 96 LYS 72 97 GLY 73 98 VAL 74 99 VAL 75 100 PRO 76 101 LYS 77 102 GLY 78 103 TRP 79 104 GLU 80 105 GLY 81 106 THR 82 107 GLY 83 108 LYS 84 109 THR 85 110 TRP 86 111 ASP 87 112 ASP 88 113 VAL 89 114 PRO 90 115 GLY 91 116 LEU 92 117 GLY 93 118 GLY 94 119 SER 95 120 THR 96 121 VAL 97 122 ALA 98 123 LEU 99 124 ARG 100 125 ILE 101 126 GLY 102 127 PHE 103 128 SER 104 129 ASN 105 130 LYS 106 131 GLY 107 132 LYS 108 133 GLY 109 134 HIS 110 135 ASP 111 136 ALA 112 137 ILE 113 138 ASN 114 139 LEU 115 140 GLU 116 141 LEU 117 142 HIS 118 143 GLU 119 144 THR 120 145 ALA 121 146 HIS 122 147 ALA 123 148 ILE 124 149 ASP 125 150 HIS 126 151 ILE 127 152 VAL 128 153 LEU 129 154 ASN 130 155 ASP 131 156 ILE 132 157 SER 133 158 LYS 134 159 SER 135 160 ALA 136 161 GLN 137 162 PHE 138 163 LYS 139 164 GLN 140 165 ILE 141 166 PHE 142 167 ALA 143 168 LYS 144 169 GLU 145 170 GLY 146 171 ARG 147 172 SER 148 173 LEU 149 174 GLY 150 175 ASN 151 176 VAL 152 177 ASN 153 178 TYR 154 179 LEU 155 180 GLY 156 181 VAL 157 182 TYR 158 183 PRO 159 184 GLU 160 185 GLU 161 186 PHE 162 187 PHE 163 188 ALA 164 189 GLU 165 190 SER 166 191 PHE 167 192 ALA 168 193 TYR 169 194 TYR 170 195 TYR 171 196 LEU 172 197 ASN 173 198 GLN 174 199 ASP 175 200 THR 176 201 ASN 177 202 SER 178 203 LYS 179 204 LEU 180 205 LYS 181 206 SER 182 207 ALA 183 208 CYS 184 209 PRO 185 210 GLN 186 211 THR 187 212 TYR 188 213 SER 189 214 PHE 190 215 LEU 191 216 GLN 192 217 ASN 193 218 LEU 194 219 ALA 195 220 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $Zmp1 firmicutes 1496 Bacteria . Clostridium difficile 630 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 $Zmp1 'recombinant technology' . Escherichia coli T7 pET15/TEV 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 $Zmp1 0.6 mM '[U-100% 15N]' $Zmp1 0.5 mM '[U-99% 13C; U-99% 15N]' $Zmp1 1 mM 'natural abundance' Hepes 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . 'G ntert P.' . . stop_ loop_ _Task refinement 'structure solution' validation stop_ _Details . save_ save_CYANA2 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . 'G ntert P.' . . stop_ loop_ _Task refinement 'structure solution' validation stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 10 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7.2 . pH 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 dioxane C 13 'methyl carbon' ppm 61.3 external indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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 HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Zmp1 _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 29 4 THR H H 8.428 0.020 1 2 29 4 THR HA H 4.221 0.020 1 3 29 4 THR HB H 4.267 0.020 1 4 29 4 THR HG2 H 1.201 0.020 1 5 29 4 THR C C 176.111 0.300 1 6 29 4 THR CA C 64.034 0.300 1 7 29 4 THR CB C 68.958 0.300 1 8 29 4 THR CG2 C 21.971 0.300 1 9 29 4 THR N N 116.386 0.300 1 10 30 5 THR H H 8.171 0.020 1 11 30 5 THR HA H 4.111 0.020 1 12 30 5 THR HB H 4.268 0.020 1 13 30 5 THR HG2 H 1.240 0.020 1 14 30 5 THR C C 175.925 0.300 1 15 30 5 THR CA C 64.324 0.300 1 16 30 5 THR CB C 69.180 0.300 1 17 30 5 THR CG2 C 21.762 0.300 1 18 30 5 THR N N 116.312 0.300 1 19 31 6 ILE H H 7.928 0.020 1 20 31 6 ILE HA H 3.796 0.020 1 21 31 6 ILE HB H 1.873 0.020 1 22 31 6 ILE HG12 H 1.510 0.020 2 23 31 6 ILE HG13 H 1.254 0.020 2 24 31 6 ILE HG2 H 0.842 0.020 1 25 31 6 ILE HD1 H 0.806 0.020 1 26 31 6 ILE C C 177.823 0.300 1 27 31 6 ILE CA C 64.297 0.300 1 28 31 6 ILE CB C 37.118 0.300 1 29 31 6 ILE CG1 C 28.424 0.300 1 30 31 6 ILE CG2 C 17.285 0.300 1 31 31 6 ILE CD1 C 11.829 0.300 1 32 31 6 ILE N N 121.502 0.300 1 33 32 7 GLN H H 8.089 0.020 1 34 32 7 GLN HA H 3.868 0.020 1 35 32 7 GLN HB2 H 2.096 0.020 2 36 32 7 GLN HB3 H 2.141 0.020 2 37 32 7 GLN HG2 H 2.366 0.020 1 38 32 7 GLN HG3 H 2.366 0.020 1 39 32 7 GLN HE21 H 6.905 0.020 1 40 32 7 GLN HE22 H 7.563 0.020 1 41 32 7 GLN C C 178.493 0.300 1 42 32 7 GLN CA C 59.085 0.300 1 43 32 7 GLN CB C 28.306 0.300 1 44 32 7 GLN CG C 33.826 0.300 1 45 32 7 GLN N N 119.789 0.300 1 46 32 7 GLN NE2 N 114.204 0.300 1 47 33 8 GLN H H 8.137 0.020 1 48 33 8 GLN HA H 4.114 0.020 1 49 33 8 GLN HB2 H 2.217 0.020 2 50 33 8 GLN HB3 H 2.114 0.020 2 51 33 8 GLN HG2 H 2.488 0.020 2 52 33 8 GLN HG3 H 2.387 0.020 2 53 33 8 GLN HE21 H 6.834 0.020 1 54 33 8 GLN HE22 H 7.440 0.020 1 55 33 8 GLN C C 178.697 0.300 1 56 33 8 GLN CA C 58.895 0.300 1 57 33 8 GLN CB C 28.105 0.300 1 58 33 8 GLN CG C 34.154 0.300 1 59 33 8 GLN N N 119.307 0.300 1 60 33 8 GLN NE2 N 111.836 0.300 1 61 34 9 ASN H H 8.415 0.020 1 62 34 9 ASN HA H 4.362 0.020 1 63 34 9 ASN HB2 H 3.274 0.020 2 64 34 9 ASN HB3 H 2.475 0.020 2 65 34 9 ASN HD21 H 6.224 0.020 1 66 34 9 ASN HD22 H 7.925 0.020 1 67 34 9 ASN C C 178.325 0.300 1 68 34 9 ASN CA C 55.425 0.300 1 69 34 9 ASN CB C 36.977 0.300 1 70 34 9 ASN N N 119.981 0.300 1 71 34 9 ASN ND2 N 111.917 0.300 1 72 35 10 LYS H H 8.702 0.020 1 73 35 10 LYS HA H 3.832 0.020 1 74 35 10 LYS HB2 H 1.927 0.020 2 75 35 10 LYS HB3 H 1.870 0.020 2 76 35 10 LYS HG2 H 1.629 0.020 1 77 35 10 LYS HG3 H 1.629 0.020 1 78 35 10 LYS HD2 H 1.573 0.020 1 79 35 10 LYS HD3 H 1.573 0.020 1 80 35 10 LYS HE2 H 2.915 0.020 1 81 35 10 LYS HE3 H 2.915 0.020 1 82 35 10 LYS C C 179.349 0.300 1 83 35 10 LYS CA C 60.893 0.300 1 84 35 10 LYS CB C 31.599 0.300 1 85 35 10 LYS CG C 27.964 0.300 1 86 35 10 LYS CD C 28.893 0.300 1 87 35 10 LYS CE C 41.665 0.300 1 88 35 10 LYS N N 121.518 0.300 1 89 36 11 ASP H H 8.175 0.020 1 90 36 11 ASP HA H 4.446 0.020 1 91 36 11 ASP HB2 H 2.910 0.020 2 92 36 11 ASP HB3 H 2.761 0.020 2 93 36 11 ASP C C 180.130 0.300 1 94 36 11 ASP CA C 57.748 0.300 1 95 36 11 ASP CB C 39.817 0.300 1 96 36 11 ASP N N 122.322 0.300 1 97 37 12 THR H H 8.507 0.020 1 98 37 12 THR HA H 3.843 0.020 1 99 37 12 THR HB H 4.236 0.020 1 100 37 12 THR HG2 H 0.986 0.020 1 101 37 12 THR C C 176.949 0.300 1 102 37 12 THR CA C 67.086 0.300 1 103 37 12 THR CB C 67.656 0.300 1 104 37 12 THR CG2 C 22.999 0.300 1 105 37 12 THR N N 121.354 0.300 1 106 38 13 LEU H H 8.688 0.020 1 107 38 13 LEU HA H 3.948 0.020 1 108 38 13 LEU HB2 H 1.995 0.020 2 109 38 13 LEU HB3 H 1.330 0.020 2 110 38 13 LEU HG H 1.552 0.020 1 111 38 13 LEU HD1 H 0.718 0.020 2 112 38 13 LEU HD2 H 0.720 0.020 2 113 38 13 LEU C C 178.790 0.300 1 114 38 13 LEU CA C 58.147 0.300 1 115 38 13 LEU CB C 41.414 0.300 1 116 38 13 LEU CG C 28.229 0.300 1 117 38 13 LEU CD1 C 26.223 0.300 1 118 38 13 LEU CD2 C 23.723 0.300 1 119 38 13 LEU N N 119.940 0.300 1 120 39 14 SER H H 8.220 0.020 1 121 39 14 SER HA H 4.404 0.020 1 122 39 14 SER HB2 H 4.129 0.020 2 123 39 14 SER HB3 H 4.109 0.020 2 124 39 14 SER C C 175.739 0.300 1 125 39 14 SER CA C 61.659 0.300 1 126 39 14 SER CB C 62.751 0.300 1 127 39 14 SER N N 116.718 0.300 1 128 40 15 GLN H H 7.492 0.020 1 129 40 15 GLN HA H 4.420 0.020 1 130 40 15 GLN HB2 H 2.368 0.020 2 131 40 15 GLN HB3 H 2.035 0.020 2 132 40 15 GLN HG2 H 2.374 0.020 1 133 40 15 GLN HG3 H 2.374 0.020 1 134 40 15 GLN HE21 H 7.320 0.020 1 135 40 15 GLN HE22 H 6.866 0.020 1 136 40 15 GLN C C 175.776 0.300 1 137 40 15 GLN CA C 55.942 0.300 1 138 40 15 GLN CB C 29.351 0.300 1 139 40 15 GLN CG C 34.051 0.300 1 140 40 15 GLN N N 118.085 0.300 1 141 40 15 GLN NE2 N 112.743 0.300 1 142 41 16 ILE H H 7.520 0.020 1 143 41 16 ILE HA H 4.332 0.020 1 144 41 16 ILE HB H 2.015 0.020 1 145 41 16 ILE HG12 H 1.476 0.020 2 146 41 16 ILE HG13 H 1.018 0.020 2 147 41 16 ILE HG2 H 0.787 0.020 1 148 41 16 ILE HD1 H 0.717 0.020 1 149 41 16 ILE C C 174.455 0.300 1 150 41 16 ILE CA C 62.334 0.300 1 151 41 16 ILE CB C 41.413 0.300 1 152 41 16 ILE CG1 C 26.533 0.300 1 153 41 16 ILE CG2 C 17.151 0.300 1 154 41 16 ILE CD1 C 14.412 0.300 1 155 41 16 ILE N N 115.794 0.300 1 156 42 17 VAL H H 8.052 0.020 1 157 42 17 VAL HA H 4.476 0.020 1 158 42 17 VAL HB H 1.707 0.020 1 159 42 17 VAL HG1 H 0.792 0.020 2 160 42 17 VAL HG2 H 0.122 0.020 2 161 42 17 VAL C C 175.683 0.300 1 162 42 17 VAL CA C 62.351 0.300 1 163 42 17 VAL CB C 31.716 0.300 1 164 42 17 VAL CG1 C 23.049 0.300 1 165 42 17 VAL CG2 C 21.017 0.300 1 166 42 17 VAL N N 120.293 0.300 1 167 43 18 VAL H H 8.865 0.020 1 168 43 18 VAL HA H 4.146 0.020 1 169 43 18 VAL HB H 1.742 0.020 1 170 43 18 VAL HG1 H 0.897 0.020 2 171 43 18 VAL HG2 H 0.804 0.020 2 172 43 18 VAL C C 174.995 0.300 1 173 43 18 VAL CA C 61.044 0.300 1 174 43 18 VAL CB C 33.869 0.300 1 175 43 18 VAL CG1 C 21.062 0.300 1 176 43 18 VAL CG2 C 20.889 0.300 1 177 43 18 VAL N N 129.863 0.300 1 178 44 19 PHE H H 8.624 0.020 1 179 44 19 PHE HA H 4.420 0.020 1 180 44 19 PHE HB2 H 2.753 0.020 2 181 44 19 PHE HB3 H 2.652 0.020 2 182 44 19 PHE HD1 H 7.056 0.020 1 183 44 19 PHE HD2 H 7.056 0.020 1 184 44 19 PHE HE1 H 7.189 0.020 1 185 44 19 PHE HE2 H 7.189 0.020 1 186 44 19 PHE HZ H 7.251 0.020 1 187 44 19 PHE C C 173.376 0.300 1 188 44 19 PHE CA C 56.797 0.300 1 189 44 19 PHE CB C 37.723 0.300 1 190 44 19 PHE CD1 C 130.829 0.300 1 191 44 19 PHE CD2 C 130.829 0.300 1 192 44 19 PHE CE1 C 130.956 0.300 1 193 44 19 PHE CE2 C 130.956 0.300 1 194 44 19 PHE N N 126.292 0.300 1 195 45 20 PRO HA H 4.592 0.020 1 196 45 20 PRO HB2 H 1.632 0.020 2 197 45 20 PRO HB3 H 2.412 0.020 2 198 45 20 PRO HG2 H 1.748 0.020 2 199 45 20 PRO HG3 H 1.119 0.020 2 200 45 20 PRO HD2 H 3.376 0.020 2 201 45 20 PRO HD3 H 1.963 0.020 2 202 45 20 PRO CA C 62.577 0.300 1 203 45 20 PRO CB C 31.511 0.300 1 204 45 20 PRO CG C 27.718 0.300 1 205 45 20 PRO CD C 49.273 0.300 1 206 46 21 THR H H 8.258 0.020 1 207 46 21 THR HA H 4.366 0.020 1 208 46 21 THR HB H 4.269 0.020 1 209 46 21 THR HG2 H 1.248 0.020 1 210 46 21 THR C C 175.620 0.300 1 211 46 21 THR CA C 62.019 0.300 1 212 46 21 THR CB C 69.784 0.300 1 213 46 21 THR CG2 C 21.749 0.300 1 214 46 21 THR N N 110.574 0.300 1 215 47 22 GLY H H 8.077 0.020 1 216 47 22 GLY HA2 H 4.073 0.020 2 217 47 22 GLY HA3 H 3.950 0.020 2 218 47 22 GLY C C 173.358 0.300 1 219 47 22 GLY CA C 44.476 0.300 1 220 47 22 GLY N N 110.375 0.300 1 221 48 23 ASN HA H 4.680 0.020 1 222 48 23 ASN HB2 H 2.731 0.020 2 223 48 23 ASN HB3 H 2.683 0.020 2 224 48 23 ASN HD21 H 7.449 0.020 1 225 48 23 ASN HD22 H 6.801 0.020 1 226 48 23 ASN CA C 53.740 0.300 1 227 48 23 ASN CB C 38.528 0.300 1 228 48 23 ASN ND2 N 112.390 0.300 1 229 49 24 TYR H H 7.747 0.020 1 230 49 24 TYR HA H 4.698 0.020 1 231 49 24 TYR HB2 H 3.009 0.020 2 232 49 24 TYR HB3 H 2.796 0.020 2 233 49 24 TYR HD1 H 6.874 0.020 1 234 49 24 TYR HD2 H 6.874 0.020 1 235 49 24 TYR HE1 H 6.622 0.020 1 236 49 24 TYR HE2 H 6.622 0.020 1 237 49 24 TYR C C 172.874 0.300 1 238 49 24 TYR CA C 55.897 0.300 1 239 49 24 TYR CB C 39.307 0.300 1 240 49 24 TYR CD1 C 134.089 0.300 1 241 49 24 TYR CD2 C 134.089 0.300 1 242 49 24 TYR CE1 C 117.803 0.300 1 243 49 24 TYR CE2 C 117.803 0.300 1 244 49 24 TYR N N 118.289 0.300 1 245 50 25 ASP H H 8.869 0.020 1 246 50 25 ASP HA H 4.497 0.020 1 247 50 25 ASP HB2 H 2.519 0.020 1 248 50 25 ASP HB3 H 2.519 0.020 1 249 50 25 ASP C C 175.479 0.300 1 250 50 25 ASP CA C 53.106 0.300 1 251 50 25 ASP CB C 39.654 0.300 1 252 50 25 ASP N N 118.670 0.300 1 253 51 26 LYS H H 7.997 0.020 1 254 51 26 LYS HA H 3.870 0.020 1 255 51 26 LYS HB2 H 1.502 0.020 2 256 51 26 LYS HB3 H 1.630 0.020 2 257 51 26 LYS HG2 H 1.056 0.020 2 258 51 26 LYS HG3 H 0.905 0.020 2 259 51 26 LYS HD2 H 1.416 0.020 1 260 51 26 LYS HD3 H 1.416 0.020 1 261 51 26 LYS HE2 H 2.983 0.020 2 262 51 26 LYS HE3 H 2.717 0.020 2 263 51 26 LYS C C 178.623 0.300 1 264 51 26 LYS CA C 59.363 0.300 1 265 51 26 LYS CB C 32.232 0.300 1 266 51 26 LYS CG C 24.978 0.300 1 267 51 26 LYS CD C 29.163 0.300 1 268 51 26 LYS CE C 41.980 0.300 1 269 51 26 LYS N N 128.533 0.300 1 270 52 27 ASN H H 8.194 0.020 1 271 52 27 ASN HA H 4.441 0.020 1 272 52 27 ASN HB2 H 2.936 0.020 2 273 52 27 ASN HB3 H 2.796 0.020 2 274 52 27 ASN HD21 H 6.987 0.020 1 275 52 27 ASN HD22 H 7.896 0.020 1 276 52 27 ASN C C 178.325 0.300 1 277 52 27 ASN CA C 56.257 0.300 1 278 52 27 ASN CB C 37.753 0.300 1 279 52 27 ASN N N 117.129 0.300 1 280 52 27 ASN ND2 N 114.101 0.300 1 281 53 28 GLU H H 8.005 0.020 1 282 53 28 GLU HA H 4.392 0.020 1 283 53 28 GLU HB2 H 1.940 0.020 2 284 53 28 GLU HB3 H 1.580 0.020 2 285 53 28 GLU HG2 H 2.250 0.020 2 286 53 28 GLU HG3 H 2.390 0.020 2 287 53 28 GLU C C 178.437 0.300 1 288 53 28 GLU CA C 57.385 0.300 1 289 53 28 GLU CB C 28.631 0.300 1 290 53 28 GLU CG C 34.060 0.300 1 291 53 28 GLU N N 123.137 0.300 1 292 54 29 ALA H H 8.428 0.020 1 293 54 29 ALA HA H 4.164 0.020 1 294 54 29 ALA HB H 1.705 0.020 1 295 54 29 ALA C C 179.080 0.300 1 296 54 29 ALA CA C 55.653 0.300 1 297 54 29 ALA CB C 18.717 0.300 1 298 54 29 ALA N N 121.708 0.300 1 299 55 30 ASN H H 8.259 0.020 1 300 55 30 ASN HA H 4.483 0.020 1 301 55 30 ASN HB2 H 2.750 0.020 2 302 55 30 ASN HB3 H 2.943 0.020 2 303 55 30 ASN HD21 H 6.767 0.020 1 304 55 30 ASN HD22 H 7.650 0.020 1 305 55 30 ASN C C 177.637 0.300 1 306 55 30 ASN CA C 55.932 0.300 1 307 55 30 ASN CB C 37.830 0.300 1 308 55 30 ASN N N 114.227 0.300 1 309 55 30 ASN ND2 N 111.704 0.300 1 310 56 31 ALA H H 7.923 0.020 1 311 56 31 ALA HA H 4.142 0.020 1 312 56 31 ALA HB H 1.545 0.020 1 313 56 31 ALA C C 180.223 0.300 1 314 56 31 ALA CA C 55.383 0.300 1 315 56 31 ALA CB C 17.921 0.300 1 316 56 31 ALA N N 124.291 0.300 1 317 57 32 MET H H 7.947 0.020 1 318 57 32 MET HA H 4.149 0.020 1 319 57 32 MET HB2 H 2.410 0.020 2 320 57 32 MET HB3 H 1.803 0.020 2 321 57 32 MET HG2 H 3.034 0.020 1 322 57 32 MET HG3 H 3.034 0.020 1 323 57 32 MET HE H 1.900 0.020 1 324 57 32 MET C C 178.623 0.300 1 325 57 32 MET CA C 59.273 0.300 1 326 57 32 MET CB C 34.742 0.300 1 327 57 32 MET CG C 32.411 0.300 1 328 57 32 MET CE C 16.368 0.300 1 329 57 32 MET N N 117.868 0.300 1 330 58 33 VAL H H 7.757 0.020 1 331 58 33 VAL HA H 3.387 0.020 1 332 58 33 VAL HB H 2.293 0.020 1 333 58 33 VAL HG1 H 1.141 0.020 2 334 58 33 VAL HG2 H 0.962 0.020 2 335 58 33 VAL C C 177.265 0.300 1 336 58 33 VAL CA C 67.555 0.300 1 337 58 33 VAL CB C 31.151 0.300 1 338 58 33 VAL CG1 C 23.787 0.300 1 339 58 33 VAL CG2 C 22.140 0.300 1 340 58 33 VAL N N 118.931 0.300 1 341 59 34 ASN H H 8.290 0.020 1 342 59 34 ASN HA H 4.215 0.020 1 343 59 34 ASN HB2 H 2.907 0.020 2 344 59 34 ASN HB3 H 2.721 0.020 2 345 59 34 ASN HD21 H 6.726 0.020 1 346 59 34 ASN HD22 H 7.429 0.020 1 347 59 34 ASN C C 178.139 0.300 1 348 59 34 ASN CA C 56.197 0.300 1 349 59 34 ASN CB C 37.813 0.300 1 350 59 34 ASN N N 117.092 0.300 1 351 59 34 ASN ND2 N 110.732 0.300 1 352 60 35 ARG H H 7.739 0.020 1 353 60 35 ARG HA H 4.103 0.020 1 354 60 35 ARG HB2 H 2.400 0.020 1 355 60 35 ARG HB3 H 2.400 0.020 1 356 60 35 ARG HG2 H 1.890 0.020 2 357 60 35 ARG HG3 H 1.430 0.020 2 358 60 35 ARG HD2 H 3.430 0.020 2 359 60 35 ARG HD3 H 2.820 0.020 2 360 60 35 ARG HE H 8.840 0.020 1 361 60 35 ARG C C 179.734 0.300 1 362 60 35 ARG CA C 60.789 0.300 1 363 60 35 ARG CB C 30.898 0.300 1 364 60 35 ARG CG C 30.760 0.300 1 365 60 35 ARG CD C 43.652 0.300 1 366 60 35 ARG N N 119.679 0.300 1 367 60 35 ARG NE N 135.947 0.300 1 368 61 36 LEU H H 8.027 0.020 1 369 61 36 LEU HA H 3.842 0.020 1 370 61 36 LEU HB2 H 1.063 0.020 2 371 61 36 LEU HB3 H 2.177 0.020 2 372 61 36 LEU HG H 1.732 0.020 1 373 61 36 LEU HD1 H 0.611 0.020 2 374 61 36 LEU HD2 H 0.639 0.020 2 375 61 36 LEU C C 177.786 0.300 1 376 61 36 LEU CA C 57.799 0.300 1 377 61 36 LEU CB C 42.585 0.300 1 378 61 36 LEU CG C 26.995 0.300 1 379 61 36 LEU CD1 C 25.173 0.300 1 380 61 36 LEU CD2 C 23.706 0.300 1 381 61 36 LEU N N 119.644 0.300 1 382 62 37 ALA H H 7.817 0.020 1 383 62 37 ALA HA H 3.775 0.020 1 384 62 37 ALA HB H 1.420 0.020 1 385 62 37 ALA C C 175.981 0.300 1 386 62 37 ALA CA C 53.466 0.300 1 387 62 37 ALA CB C 17.557 0.300 1 388 62 37 ALA N N 117.508 0.300 1 389 63 38 ASN H H 7.384 0.020 1 390 63 38 ASN HA H 4.596 0.020 1 391 63 38 ASN HB2 H 3.081 0.020 2 392 63 38 ASN HB3 H 2.962 0.020 2 393 63 38 ASN HD21 H 6.668 0.020 1 394 63 38 ASN HD22 H 7.735 0.020 1 395 63 38 ASN C C 177.060 0.300 1 396 63 38 ASN CA C 53.748 0.300 1 397 63 38 ASN CB C 39.344 0.300 1 398 63 38 ASN N N 114.803 0.300 1 399 63 38 ASN ND2 N 111.786 0.300 1 400 64 39 ILE H H 7.580 0.020 1 401 64 39 ILE HA H 2.389 0.020 1 402 64 39 ILE HB H 1.674 0.020 1 403 64 39 ILE HG12 H 1.675 0.020 2 404 64 39 ILE HG13 H 0.411 0.020 2 405 64 39 ILE HG2 H 0.908 0.020 1 406 64 39 ILE HD1 H 0.879 0.020 1 407 64 39 ILE C C 173.581 0.300 1 408 64 39 ILE CA C 63.025 0.300 1 409 64 39 ILE CB C 37.345 0.300 1 410 64 39 ILE CG1 C 29.026 0.300 1 411 64 39 ILE CG2 C 18.555 0.300 1 412 64 39 ILE CD1 C 14.178 0.300 1 413 64 39 ILE N N 119.980 0.300 1 414 65 40 ASP H H 5.020 0.020 1 415 65 40 ASP HA H 4.267 0.020 1 416 65 40 ASP HB2 H 2.504 0.020 2 417 65 40 ASP HB3 H 2.348 0.020 2 418 65 40 ASP CA C 56.260 0.300 1 419 65 40 ASP CB C 43.035 0.300 1 420 66 41 GLY H H 9.138 0.020 1 421 66 41 GLY HA2 H 4.034 0.020 2 422 66 41 GLY HA3 H 3.570 0.020 2 423 66 41 GLY C C 175.423 0.300 1 424 66 41 GLY CA C 48.067 0.300 1 425 66 41 GLY N N 113.164 0.300 1 426 67 42 LYS H H 9.108 0.020 1 427 67 42 LYS HA H 3.974 0.020 1 428 67 42 LYS HB2 H 1.627 0.020 2 429 67 42 LYS HB3 H 1.153 0.020 2 430 67 42 LYS HG2 H 0.929 0.020 2 431 67 42 LYS HG3 H 1.093 0.020 2 432 67 42 LYS HD2 H 1.346 0.020 2 433 67 42 LYS HD3 H 1.375 0.020 2 434 67 42 LYS HE2 H 2.669 0.020 2 435 67 42 LYS HE3 H 2.927 0.020 2 436 67 42 LYS C C 180.391 0.300 1 437 67 42 LYS CA C 59.498 0.300 1 438 67 42 LYS CB C 31.691 0.300 1 439 67 42 LYS CG C 24.304 0.300 1 440 67 42 LYS CD C 29.304 0.300 1 441 67 42 LYS CE C 42.293 0.300 1 442 67 42 LYS N N 120.670 0.300 1 443 68 43 TYR H H 7.214 0.020 1 444 68 43 TYR HA H 4.422 0.020 1 445 68 43 TYR HB2 H 2.888 0.020 1 446 68 43 TYR HB3 H 2.888 0.020 1 447 68 43 TYR HD1 H 6.910 0.020 1 448 68 43 TYR HD2 H 6.910 0.020 1 449 68 43 TYR HE1 H 6.910 0.020 1 450 68 43 TYR HE2 H 6.910 0.020 1 451 68 43 TYR C C 178.288 0.300 1 452 68 43 TYR CA C 58.553 0.300 1 453 68 43 TYR CB C 38.083 0.300 1 454 68 43 TYR CD1 C 131.455 0.300 1 455 68 43 TYR CD2 C 131.455 0.300 1 456 68 43 TYR CE1 C 118.217 0.300 1 457 68 43 TYR CE2 C 118.217 0.300 1 458 68 43 TYR N N 116.278 0.300 1 459 69 44 LEU H H 7.111 0.020 1 460 69 44 LEU HA H 3.806 0.020 1 461 69 44 LEU HB2 H 1.890 0.020 2 462 69 44 LEU HB3 H 1.077 0.020 2 463 69 44 LEU HG H 1.530 0.020 1 464 69 44 LEU HD1 H 0.597 0.020 2 465 69 44 LEU HD2 H 0.801 0.020 2 466 69 44 LEU C C 178.344 0.300 1 467 69 44 LEU CA C 58.003 0.300 1 468 69 44 LEU CB C 41.414 0.300 1 469 69 44 LEU CG C 25.779 0.300 1 470 69 44 LEU CD1 C 21.188 0.300 1 471 69 44 LEU CD2 C 25.450 0.300 1 472 69 44 LEU N N 116.701 0.300 1 473 70 45 ASN H H 8.900 0.020 1 474 70 45 ASN HA H 4.221 0.020 1 475 70 45 ASN HB2 H 2.716 0.020 2 476 70 45 ASN HB3 H 2.654 0.020 2 477 70 45 ASN HD21 H 6.924 0.020 1 478 70 45 ASN HD22 H 7.545 0.020 1 479 70 45 ASN C C 177.432 0.300 1 480 70 45 ASN CA C 56.482 0.300 1 481 70 45 ASN CB C 37.925 0.300 1 482 70 45 ASN N N 116.788 0.300 1 483 70 45 ASN ND2 N 113.431 0.300 1 484 71 46 ALA H H 7.214 0.020 1 485 71 46 ALA HA H 4.234 0.020 1 486 71 46 ALA HB H 1.567 0.020 1 487 71 46 ALA C C 180.837 0.300 1 488 71 46 ALA CA C 54.952 0.300 1 489 71 46 ALA CB C 19.362 0.300 1 490 71 46 ALA N N 121.526 0.300 1 491 72 47 LEU H H 8.165 0.020 1 492 72 47 LEU HA H 3.786 0.020 1 493 72 47 LEU HB2 H 2.091 0.020 2 494 72 47 LEU HB3 H 1.213 0.020 2 495 72 47 LEU HG H 1.942 0.020 1 496 72 47 LEU HD1 H 0.571 0.020 2 497 72 47 LEU HD2 H 0.591 0.020 2 498 72 47 LEU C C 178.474 0.300 1 499 72 47 LEU CA C 58.426 0.300 1 500 72 47 LEU CB C 40.610 0.300 1 501 72 47 LEU CG C 25.355 0.300 1 502 72 47 LEU CD1 C 21.517 0.300 1 503 72 47 LEU CD2 C 24.508 0.300 1 504 72 47 LEU N N 120.223 0.300 1 505 73 48 LYS H H 7.828 0.020 1 506 73 48 LYS HA H 4.067 0.020 1 507 73 48 LYS HB2 H 2.070 0.020 1 508 73 48 LYS HB3 H 2.070 0.020 1 509 73 48 LYS HG2 H 1.495 0.020 1 510 73 48 LYS HG3 H 1.495 0.020 1 511 73 48 LYS HD2 H 1.639 0.020 1 512 73 48 LYS HD3 H 1.639 0.020 1 513 73 48 LYS C C 180.651 0.300 1 514 73 48 LYS CA C 59.408 0.300 1 515 73 48 LYS CB C 32.025 0.300 1 516 73 48 LYS CG C 25.239 0.300 1 517 73 48 LYS CD C 28.621 0.300 1 518 73 48 LYS CE C 42.058 0.300 1 519 73 48 LYS N N 119.642 0.300 1 520 74 49 GLN H H 8.422 0.020 1 521 74 49 GLN HA H 3.999 0.020 1 522 74 49 GLN HB2 H 2.082 0.020 1 523 74 49 GLN HB3 H 2.082 0.020 1 524 74 49 GLN HG2 H 2.410 0.020 1 525 74 49 GLN HG3 H 2.410 0.020 1 526 74 49 GLN HE21 H 6.790 0.020 1 527 74 49 GLN HE22 H 7.397 0.020 1 528 74 49 GLN C C 176.688 0.300 1 529 74 49 GLN CA C 58.477 0.300 1 530 74 49 GLN CB C 28.201 0.300 1 531 74 49 GLN CG C 33.727 0.300 1 532 74 49 GLN N N 120.131 0.300 1 533 74 49 GLN NE2 N 111.236 0.300 1 534 75 50 ASN H H 7.323 0.020 1 535 75 50 ASN HA H 4.568 0.020 1 536 75 50 ASN HB2 H 2.368 0.020 2 537 75 50 ASN HB3 H 2.800 0.020 2 538 75 50 ASN HD21 H 7.472 0.020 1 539 75 50 ASN HD22 H 7.266 0.020 1 540 75 50 ASN C C 173.190 0.300 1 541 75 50 ASN CA C 54.040 0.300 1 542 75 50 ASN CB C 39.974 0.300 1 543 75 50 ASN N N 114.522 0.300 1 544 75 50 ASN ND2 N 113.982 0.300 1 545 76 51 ASN H H 8.114 0.020 1 546 76 51 ASN HA H 4.378 0.020 1 547 76 51 ASN HB2 H 3.003 0.020 2 548 76 51 ASN HB3 H 2.738 0.020 2 549 76 51 ASN HD21 H 6.772 0.020 1 550 76 51 ASN HD22 H 7.544 0.020 1 551 76 51 ASN C C 173.469 0.300 1 552 76 51 ASN CA C 54.302 0.300 1 553 76 51 ASN CB C 36.823 0.300 1 554 76 51 ASN N N 115.310 0.300 1 555 76 51 ASN ND2 N 112.820 0.300 1 556 77 52 LEU H H 7.592 0.020 1 557 77 52 LEU HA H 4.237 0.020 1 558 77 52 LEU HB2 H 1.441 0.020 2 559 77 52 LEU HB3 H 1.383 0.020 2 560 77 52 LEU HG H 1.670 0.020 1 561 77 52 LEU HD1 H 0.756 0.020 1 562 77 52 LEU C C 175.721 0.300 1 563 77 52 LEU CA C 55.099 0.300 1 564 77 52 LEU CB C 42.045 0.300 1 565 77 52 LEU CG C 27.601 0.300 1 566 77 52 LEU CD1 C 25.016 0.300 1 567 77 52 LEU N N 120.098 0.300 1 568 78 53 LYS H H 8.044 0.020 1 569 78 53 LYS HA H 5.144 0.020 1 570 78 53 LYS HB2 H 1.508 0.020 2 571 78 53 LYS HB3 H 1.676 0.020 2 572 78 53 LYS HG2 H 1.368 0.020 1 573 78 53 LYS HG3 H 1.368 0.020 1 574 78 53 LYS HD2 H 1.372 0.020 2 575 78 53 LYS HD3 H 1.607 0.020 2 576 78 53 LYS HE2 H 2.778 0.020 1 577 78 53 LYS HE3 H 2.778 0.020 1 578 78 53 LYS CA C 52.881 0.300 1 579 78 53 LYS CB C 33.427 0.300 1 580 78 53 LYS CG C 24.226 0.300 1 581 78 53 LYS CD C 27.991 0.300 1 582 78 53 LYS CE C 42.487 0.300 1 583 78 53 LYS N N 122.536 0.300 1 584 79 54 ILE H H 8.163 0.020 1 585 79 54 ILE HA H 4.228 0.020 1 586 79 54 ILE HB H 1.345 0.020 1 587 79 54 ILE HG12 H 1.255 0.020 2 588 79 54 ILE HG13 H 0.554 0.020 2 589 79 54 ILE HG2 H 0.469 0.020 1 590 79 54 ILE HD1 H 0.550 0.020 1 591 79 54 ILE C C 174.139 0.300 1 592 79 54 ILE CA C 60.255 0.300 1 593 79 54 ILE CB C 39.561 0.300 1 594 79 54 ILE CG1 C 26.629 0.300 1 595 79 54 ILE CG2 C 16.165 0.300 1 596 79 54 ILE CD1 C 13.586 0.300 1 597 79 54 ILE N N 122.630 0.300 1 598 80 55 LYS H H 8.610 0.020 1 599 80 55 LYS HA H 4.471 0.020 1 600 80 55 LYS HB2 H 1.740 0.020 1 601 80 55 LYS HB3 H 1.740 0.020 1 602 80 55 LYS HG2 H 1.326 0.020 2 603 80 55 LYS HG3 H 1.072 0.020 2 604 80 55 LYS HE2 H 2.775 0.020 1 605 80 55 LYS HE3 H 2.775 0.020 1 606 80 55 LYS C C 174.530 0.300 1 607 80 55 LYS CA C 55.821 0.300 1 608 80 55 LYS CB C 33.978 0.300 1 609 80 55 LYS CG C 25.662 0.300 1 610 80 55 LYS CD C 28.845 0.300 1 611 80 55 LYS CE C 41.853 0.300 1 612 80 55 LYS N N 127.357 0.300 1 613 81 56 LEU H H 8.209 0.020 1 614 81 56 LEU HA H 5.037 0.020 1 615 81 56 LEU HB3 H 1.110 0.020 1 616 81 56 LEU HG H 1.359 0.020 1 617 81 56 LEU HD1 H 0.641 0.020 2 618 81 56 LEU HD2 H 0.564 0.020 2 619 81 56 LEU C C 175.944 0.300 1 620 81 56 LEU CA C 53.106 0.300 1 621 81 56 LEU CB C 41.533 0.300 1 622 81 56 LEU CG C 27.007 0.300 1 623 81 56 LEU CD1 C 23.717 0.300 1 624 81 56 LEU CD2 C 26.461 0.300 1 625 81 56 LEU N N 124.666 0.300 1 626 82 57 LEU H H 9.014 0.020 1 627 82 57 LEU HA H 4.715 0.020 1 628 82 57 LEU HB2 H 1.652 0.020 2 629 82 57 LEU HB3 H 1.475 0.020 2 630 82 57 LEU HG H 1.479 0.020 1 631 82 57 LEU HD1 H 0.650 0.020 2 632 82 57 LEU HD2 H 0.632 0.020 2 633 82 57 LEU C C 177.786 0.300 1 634 82 57 LEU CA C 53.241 0.300 1 635 82 57 LEU CB C 43.935 0.300 1 636 82 57 LEU CG C 26.598 0.300 1 637 82 57 LEU CD1 C 23.300 0.300 1 638 82 57 LEU CD2 C 26.205 0.300 1 639 82 57 LEU N N 120.621 0.300 1 640 83 58 SER H H 9.197 0.020 1 641 83 58 SER HA H 4.679 0.020 1 642 83 58 SER HB2 H 4.199 0.020 2 643 83 58 SER HB3 H 3.704 0.020 2 644 83 58 SER C C 174.827 0.300 1 645 83 58 SER CA C 57.899 0.300 1 646 83 58 SER CB C 64.191 0.300 1 647 83 58 SER N N 115.904 0.300 1 648 84 59 GLY H H 7.442 0.020 1 649 84 59 GLY HA2 H 4.421 0.020 2 650 84 59 GLY HA3 H 3.747 0.020 2 651 84 59 GLY C C 171.888 0.300 1 652 84 59 GLY CA C 44.193 0.300 1 653 84 59 GLY N N 112.888 0.300 1 654 85 60 LYS H H 8.114 0.020 1 655 85 60 LYS HA H 3.856 0.020 1 656 85 60 LYS HB2 H 1.696 0.020 2 657 85 60 LYS HB3 H 1.512 0.020 2 658 85 60 LYS HG2 H 1.430 0.020 2 659 85 60 LYS HG3 H 1.329 0.020 2 660 85 60 LYS HD2 H 1.632 0.020 1 661 85 60 LYS HD3 H 1.632 0.020 1 662 85 60 LYS HE2 H 2.906 0.020 1 663 85 60 LYS HE3 H 2.906 0.020 1 664 85 60 LYS C C 179.758 0.300 1 665 85 60 LYS CA C 56.482 0.300 1 666 85 60 LYS CB C 33.762 0.300 1 667 85 60 LYS CG C 25.317 0.300 1 668 85 60 LYS CD C 29.542 0.300 1 669 85 60 LYS CE C 42.067 0.300 1 670 85 60 LYS N N 115.351 0.300 1 671 86 61 LEU H H 9.287 0.020 1 672 86 61 LEU HA H 3.626 0.020 1 673 86 61 LEU HB2 H 1.385 0.020 1 674 86 61 LEU HB3 H 1.385 0.020 1 675 86 61 LEU HG H 1.041 0.020 1 676 86 61 LEU HD1 H 0.201 0.020 2 677 86 61 LEU HD2 H 0.472 0.020 2 678 86 61 LEU C C 177.488 0.300 1 679 86 61 LEU CA C 58.958 0.300 1 680 86 61 LEU CB C 42.734 0.300 1 681 86 61 LEU CG C 27.318 0.300 1 682 86 61 LEU CD1 C 24.540 0.300 1 683 86 61 LEU CD2 C 25.689 0.300 1 684 86 61 LEU N N 124.335 0.300 1 685 87 62 THR H H 6.446 0.020 1 686 87 62 THR HA H 3.598 0.020 1 687 87 62 THR HB H 4.274 0.020 1 688 87 62 THR HG2 H 0.880 0.020 1 689 87 62 THR C C 173.748 0.300 1 690 87 62 THR CA C 61.061 0.300 1 691 87 62 THR CB C 67.683 0.300 1 692 87 62 THR CG2 C 21.651 0.300 1 693 87 62 THR N N 97.035 0.300 1 694 88 63 ASP H H 7.095 0.020 1 695 88 63 ASP HA H 4.592 0.020 1 696 88 63 ASP HB2 H 2.749 0.020 1 697 88 63 ASP HB3 H 2.749 0.020 1 698 88 63 ASP C C 177.302 0.300 1 699 88 63 ASP CA C 54.900 0.300 1 700 88 63 ASP CB C 40.967 0.300 1 701 88 63 ASP N N 117.919 0.300 1 702 89 64 GLU H H 7.323 0.020 1 703 89 64 GLU HA H 4.219 0.020 1 704 89 64 GLU HB2 H 2.115 0.020 2 705 89 64 GLU HB3 H 2.288 0.020 2 706 89 64 GLU HG2 H 2.249 0.020 1 707 89 64 GLU HG3 H 2.249 0.020 1 708 89 64 GLU C C 177.823 0.300 1 709 89 64 GLU CA C 54.778 0.300 1 710 89 64 GLU CB C 30.067 0.300 1 711 89 64 GLU CG C 37.191 0.300 1 712 89 64 GLU N N 119.162 0.300 1 713 90 65 LYS H H 8.730 0.020 1 714 90 65 LYS HA H 3.852 0.020 1 715 90 65 LYS HB3 H 1.702 0.020 1 716 90 65 LYS HG2 H 1.400 0.020 1 717 90 65 LYS HG3 H 1.400 0.020 1 718 90 65 LYS C C 178.958 0.300 1 719 90 65 LYS CA C 59.858 0.300 1 720 90 65 LYS CB C 32.052 0.300 1 721 90 65 LYS CG C 24.703 0.300 1 722 90 65 LYS CD C 29.160 0.300 1 723 90 65 LYS CE C 42.005 0.300 1 724 90 65 LYS N N 124.490 0.300 1 725 91 66 GLU H H 10.010 0.020 1 726 91 66 GLU HA H 3.956 0.020 1 727 91 66 GLU HB2 H 1.464 0.020 1 728 91 66 GLU HB3 H 1.464 0.020 1 729 91 66 GLU HG2 H 1.250 0.020 2 730 91 66 GLU HG3 H 1.633 0.020 2 731 91 66 GLU C C 176.018 0.300 1 732 91 66 GLU CA C 58.373 0.300 1 733 91 66 GLU CB C 27.805 0.300 1 734 91 66 GLU CG C 35.011 0.300 1 735 91 66 GLU N N 117.474 0.300 1 736 92 67 TYR H H 7.211 0.020 1 737 92 67 TYR HA H 4.733 0.020 1 738 92 67 TYR HB2 H 2.801 0.020 2 739 92 67 TYR HB3 H 2.594 0.020 2 740 92 67 TYR HD1 H 6.717 0.020 1 741 92 67 TYR HD2 H 6.717 0.020 1 742 92 67 TYR HE1 H 6.384 0.020 1 743 92 67 TYR HE2 H 6.384 0.020 1 744 92 67 TYR C C 175.628 0.300 1 745 92 67 TYR CA C 55.909 0.300 1 746 92 67 TYR CB C 38.011 0.300 1 747 92 67 TYR CD1 C 132.372 0.300 1 748 92 67 TYR CD2 C 132.372 0.300 1 749 92 67 TYR CE1 C 117.848 0.300 1 750 92 67 TYR CE2 C 117.848 0.300 1 751 92 67 TYR N N 115.412 0.300 1 752 93 68 ALA H H 7.385 0.020 1 753 93 68 ALA HA H 4.146 0.020 1 754 93 68 ALA HB H 1.390 0.020 1 755 93 68 ALA C C 180.130 0.300 1 756 93 68 ALA CA C 55.087 0.300 1 757 93 68 ALA CB C 17.737 0.300 1 758 93 68 ALA N N 124.948 0.300 1 759 94 69 TYR H H 8.109 0.020 1 760 94 69 TYR HA H 4.311 0.020 1 761 94 69 TYR HB2 H 3.024 0.020 2 762 94 69 TYR HB3 H 2.863 0.020 2 763 94 69 TYR HD1 H 6.911 0.020 1 764 94 69 TYR HD2 H 6.911 0.020 1 765 94 69 TYR HE1 H 6.705 0.020 1 766 94 69 TYR HE2 H 6.705 0.020 1 767 94 69 TYR C C 175.628 0.300 1 768 94 69 TYR CA C 58.639 0.300 1 769 94 69 TYR CB C 36.182 0.300 1 770 94 69 TYR CD1 C 133.131 0.300 1 771 94 69 TYR CD2 C 133.131 0.300 1 772 94 69 TYR CE1 C 118.365 0.300 1 773 94 69 TYR CE2 C 118.365 0.300 1 774 94 69 TYR N N 115.280 0.300 1 775 95 70 LEU H H 7.120 0.020 1 776 95 70 LEU HA H 3.733 0.020 1 777 95 70 LEU HB2 H 1.047 0.020 2 778 95 70 LEU HB3 H 0.913 0.020 2 779 95 70 LEU HG H -0.562 0.020 1 780 95 70 LEU HD1 H -0.328 0.020 2 781 95 70 LEU HD2 H -0.606 0.020 2 782 95 70 LEU C C 176.446 0.300 1 783 95 70 LEU CA C 54.141 0.300 1 784 95 70 LEU CB C 40.424 0.300 1 785 95 70 LEU CG C 24.161 0.300 1 786 95 70 LEU CD1 C 21.035 0.300 1 787 95 70 LEU CD2 C 23.530 0.300 1 788 95 70 LEU N N 122.115 0.300 1 789 96 71 LYS H H 7.409 0.020 1 790 96 71 LYS HA H 4.159 0.020 1 791 96 71 LYS HB2 H 1.822 0.020 2 792 96 71 LYS HB3 H 1.754 0.020 2 793 96 71 LYS HG2 H 1.676 0.020 2 794 96 71 LYS HG3 H 1.385 0.020 2 795 96 71 LYS HD2 H 1.693 0.020 1 796 96 71 LYS HD3 H 1.693 0.020 1 797 96 71 LYS HE2 H 2.958 0.020 1 798 96 71 LYS HE3 H 2.958 0.020 1 799 96 71 LYS C C 178.995 0.300 1 800 96 71 LYS CA C 58.352 0.300 1 801 96 71 LYS CB C 32.603 0.300 1 802 96 71 LYS CG C 24.558 0.300 1 803 96 71 LYS CD C 28.909 0.300 1 804 96 71 LYS CE C 42.049 0.300 1 805 96 71 LYS N N 119.941 0.300 1 806 97 72 GLY H H 9.784 0.020 1 807 97 72 GLY HA2 H 3.667 0.020 2 808 97 72 GLY HA3 H 4.093 0.020 2 809 97 72 GLY C C 173.277 0.300 1 810 97 72 GLY CA C 46.001 0.300 1 811 97 72 GLY N N 115.022 0.300 1 812 98 73 VAL H H 8.173 0.020 1 813 98 73 VAL HA H 4.021 0.020 1 814 98 73 VAL HB H 2.271 0.020 1 815 98 73 VAL HG1 H 0.903 0.020 2 816 98 73 VAL HG2 H 1.008 0.020 2 817 98 73 VAL C C 174.697 0.300 1 818 98 73 VAL CA C 62.472 0.300 1 819 98 73 VAL CB C 31.691 0.300 1 820 98 73 VAL CG1 C 22.323 0.300 1 821 98 73 VAL CG2 C 21.067 0.300 1 822 98 73 VAL N N 122.882 0.300 1 823 99 74 VAL H H 8.826 0.020 1 824 99 74 VAL HA H 4.237 0.020 1 825 99 74 VAL HB H 2.048 0.020 1 826 99 74 VAL HG1 H 1.043 0.020 2 827 99 74 VAL HG2 H 0.959 0.020 2 828 99 74 VAL C C 174.640 0.300 1 829 99 74 VAL CA C 60.758 0.300 1 830 99 74 VAL CB C 33.149 0.300 1 831 99 74 VAL CG1 C 21.624 0.300 1 832 99 74 VAL CG2 C 20.126 0.300 1 833 99 74 VAL N N 130.243 0.300 1 834 100 75 PRO HA H 4.113 0.020 1 835 100 75 PRO HB2 H 0.614 0.020 2 836 100 75 PRO HB3 H 0.921 0.020 2 837 100 75 PRO HG2 H 0.124 0.020 2 838 100 75 PRO HG3 H -0.628 0.020 2 839 100 75 PRO HD2 H 3.628 0.020 2 840 100 75 PRO HD3 H 3.102 0.020 2 841 100 75 PRO CA C 62.026 0.300 1 842 100 75 PRO CB C 31.150 0.300 1 843 100 75 PRO CG C 25.032 0.300 1 844 100 75 PRO CD C 50.950 0.300 1 845 101 76 LYS H H 8.346 0.020 1 846 101 76 LYS HA H 4.182 0.020 1 847 101 76 LYS HB2 H 1.668 0.020 2 848 101 76 LYS HB3 H 1.795 0.020 2 849 101 76 LYS HG2 H 1.460 0.020 2 850 101 76 LYS HG3 H 1.260 0.020 2 851 101 76 LYS HD2 H 1.601 0.020 1 852 101 76 LYS HD3 H 1.601 0.020 1 853 101 76 LYS HE2 H 2.885 0.020 1 854 101 76 LYS HE3 H 2.885 0.020 1 855 101 76 LYS C C 177.693 0.300 1 856 101 76 LYS CA C 57.832 0.300 1 857 101 76 LYS CB C 31.511 0.300 1 858 101 76 LYS CG C 24.300 0.300 1 859 101 76 LYS CD C 28.968 0.300 1 860 101 76 LYS CE C 41.954 0.300 1 861 101 76 LYS N N 123.142 0.300 1 862 102 77 GLY H H 9.344 0.020 1 863 102 77 GLY HA2 H 4.423 0.020 2 864 102 77 GLY HA3 H 3.888 0.020 2 865 102 77 GLY C C 175.739 0.300 1 866 102 77 GLY CA C 45.333 0.300 1 867 102 77 GLY N N 115.377 0.300 1 868 103 78 TRP H H 8.275 0.020 1 869 103 78 TRP HA H 4.750 0.020 1 870 103 78 TRP HB2 H 2.865 0.020 2 871 103 78 TRP HB3 H 3.333 0.020 2 872 103 78 TRP HD1 H 6.820 0.020 1 873 103 78 TRP HE1 H 9.829 0.020 1 874 103 78 TRP HZ2 H 7.220 0.020 1 875 103 78 TRP HZ3 H 6.791 0.020 1 876 103 78 TRP HH2 H 6.965 0.020 1 877 103 78 TRP C C 176.818 0.300 1 878 103 78 TRP CA C 55.694 0.300 1 879 103 78 TRP CB C 28.223 0.300 1 880 103 78 TRP CD1 C 124.390 0.300 1 881 103 78 TRP CZ2 C 113.870 0.300 1 882 103 78 TRP CZ3 C 121.760 0.300 1 883 103 78 TRP CH2 C 124.679 0.300 1 884 103 78 TRP N N 120.309 0.300 1 885 103 78 TRP NE1 N 128.119 0.300 1 886 104 79 GLU H H 9.793 0.020 1 887 104 79 GLU HA H 4.050 0.020 1 888 104 79 GLU HB2 H 1.950 0.020 2 889 104 79 GLU HB3 H 2.080 0.020 2 890 104 79 GLU HG2 H 2.599 0.020 2 891 104 79 GLU HG3 H 2.288 0.020 2 892 104 79 GLU C C 178.008 0.300 1 893 104 79 GLU CA C 60.353 0.300 1 894 104 79 GLU CB C 27.646 0.300 1 895 104 79 GLU CG C 36.230 0.300 1 896 104 79 GLU N N 125.509 0.300 1 897 105 80 GLY HA2 H 3.828 0.020 2 898 105 80 GLY HA3 H 4.140 0.020 2 899 105 80 GLY CA C 45.626 0.300 1 900 106 81 THR H H 7.708 0.020 1 901 106 81 THR HA H 4.286 0.020 1 902 106 81 THR HB H 4.151 0.020 1 903 106 81 THR HG1 H 5.819 0.020 1 904 106 81 THR HG2 H 1.015 0.020 1 905 106 81 THR C C 176.297 0.300 1 906 106 81 THR CA C 62.841 0.300 1 907 106 81 THR CB C 71.647 0.300 1 908 106 81 THR CG2 C 20.886 0.300 1 909 106 81 THR N N 107.900 0.300 1 910 107 82 GLY H H 8.282 0.020 1 911 107 82 GLY HA2 H 4.156 0.020 1 912 107 82 GLY C C 173.451 0.300 1 913 107 82 GLY CA C 45.403 0.300 1 914 107 82 GLY N N 110.957 0.300 1 915 108 83 LYS H H 7.783 0.020 1 916 108 83 LYS HA H 4.495 0.020 1 917 108 83 LYS HB2 H 1.523 0.020 2 918 108 83 LYS HB3 H 1.566 0.020 2 919 108 83 LYS HG2 H 1.047 0.020 2 920 108 83 LYS HG3 H 0.971 0.020 2 921 108 83 LYS HD2 H 1.062 0.020 2 922 108 83 LYS HD3 H 0.922 0.020 2 923 108 83 LYS C C 175.925 0.300 1 924 108 83 LYS CA C 55.529 0.300 1 925 108 83 LYS CB C 34.895 0.300 1 926 108 83 LYS CG C 24.763 0.300 1 927 108 83 LYS CD C 28.788 0.300 1 928 108 83 LYS CE C 41.303 0.300 1 929 108 83 LYS N N 120.663 0.300 1 930 109 84 THR H H 8.642 0.020 1 931 109 84 THR HA H 4.858 0.020 1 932 109 84 THR HB H 4.292 0.020 1 933 109 84 THR HG2 H 0.970 0.020 1 934 109 84 THR C C 176.465 0.300 1 935 109 84 THR CA C 59.751 0.300 1 936 109 84 THR CB C 72.983 0.300 1 937 109 84 THR CG2 C 21.693 0.300 1 938 109 84 THR N N 109.589 0.300 1 939 110 85 TRP H H 9.185 0.020 1 940 110 85 TRP HA H 4.049 0.020 1 941 110 85 TRP HB2 H 3.213 0.020 2 942 110 85 TRP HB3 H 2.785 0.020 2 943 110 85 TRP HD1 H 6.855 0.020 1 944 110 85 TRP HE1 H 10.329 0.020 1 945 110 85 TRP HZ2 H 7.290 0.020 1 946 110 85 TRP HZ3 H 7.221 0.020 1 947 110 85 TRP HH2 H 7.038 0.020 1 948 110 85 TRP C C 177.135 0.300 1 949 110 85 TRP CA C 61.407 0.300 1 950 110 85 TRP CB C 29.801 0.300 1 951 110 85 TRP CD1 C 127.231 0.300 1 952 110 85 TRP CZ2 C 113.869 0.300 1 953 110 85 TRP CZ3 C 119.789 0.300 1 954 110 85 TRP CH2 C 124.392 0.300 1 955 110 85 TRP N N 120.044 0.300 1 956 110 85 TRP NE1 N 127.433 0.300 1 957 111 86 ASP H H 8.191 0.020 1 958 111 86 ASP HA H 4.307 0.020 1 959 111 86 ASP HB2 H 2.275 0.020 2 960 111 86 ASP HB3 H 2.491 0.020 2 961 111 86 ASP CA C 56.257 0.300 1 962 111 86 ASP CB C 40.952 0.300 1 963 111 86 ASP N N 113.992 0.300 1 964 112 87 ASP H H 7.963 0.020 1 965 112 87 ASP HA H 4.614 0.020 1 966 112 87 ASP HB2 H 2.744 0.020 2 967 112 87 ASP HB3 H 2.891 0.020 2 968 112 87 ASP C C 176.390 0.300 1 969 112 87 ASP CA C 54.288 0.300 1 970 112 87 ASP CB C 42.945 0.300 1 971 112 87 ASP N N 115.237 0.300 1 972 113 88 VAL H H 7.611 0.020 1 973 113 88 VAL HA H 4.166 0.020 1 974 113 88 VAL HB H 2.290 0.020 1 975 113 88 VAL HG1 H 0.406 0.020 2 976 113 88 VAL HG2 H 0.929 0.020 2 977 113 88 VAL C C 176.328 0.300 1 978 113 88 VAL CA C 60.893 0.300 1 979 113 88 VAL CB C 32.475 0.300 1 980 113 88 VAL CG1 C 22.714 0.300 1 981 113 88 VAL CG2 C 21.185 0.300 1 982 113 88 VAL N N 125.463 0.300 1 983 114 89 PRO HA H 4.121 0.020 1 984 114 89 PRO HB2 H 2.025 0.020 2 985 114 89 PRO HB3 H 2.132 0.020 2 986 114 89 PRO HG2 H 2.578 0.020 1 987 114 89 PRO HG3 H 2.578 0.020 1 988 114 89 PRO HD2 H 4.045 0.020 2 989 114 89 PRO HD3 H 3.932 0.020 2 990 114 89 PRO CA C 63.780 0.300 1 991 114 89 PRO CB C 31.635 0.300 1 992 114 89 PRO CG C 27.150 0.300 1 993 114 89 PRO CD C 50.979 0.300 1 994 115 90 GLY H H 6.802 0.020 1 995 115 90 GLY HA2 H 4.655 0.020 2 996 115 90 GLY HA3 H 3.573 0.020 2 997 115 90 GLY CA C 45.567 0.300 1 998 115 90 GLY N N 104.190 0.300 1 999 116 91 LEU H H 8.846 0.020 1 1000 116 91 LEU HA H 4.485 0.020 1 1001 116 91 LEU HB2 H 1.355 0.020 1 1002 116 91 LEU HB3 H 1.355 0.020 1 1003 116 91 LEU HG H 1.340 0.020 1 1004 116 91 LEU HD1 H 0.328 0.020 2 1005 116 91 LEU HD2 H 0.503 0.020 2 1006 116 91 LEU CA C 55.200 0.300 1 1007 116 91 LEU CB C 46.027 0.300 1 1008 116 91 LEU CG C 26.532 0.300 1 1009 116 91 LEU CD1 C 25.757 0.300 1 1010 116 91 LEU CD2 C 24.362 0.300 1 1011 116 91 LEU N N 121.637 0.300 1 1012 117 92 GLY H H 8.186 0.020 1 1013 117 92 GLY HA2 H 5.053 0.020 2 1014 117 92 GLY HA3 H 4.084 0.020 2 1015 117 92 GLY CA C 44.916 0.300 1 1016 117 92 GLY N N 111.343 0.300 1 1017 118 93 GLY H H 6.950 0.020 1 1018 118 93 GLY HA2 H 3.338 0.020 2 1019 118 93 GLY HA3 H 4.114 0.020 2 1020 118 93 GLY CA C 46.111 0.300 1 1021 118 93 GLY N N 109.698 0.300 1 1022 119 94 SER H H 8.707 0.020 1 1023 119 94 SER HB2 H 3.944 0.020 2 1024 119 94 SER HB3 H 3.899 0.020 2 1025 119 94 SER CA C 60.625 0.300 1 1026 119 94 SER CB C 63.514 0.300 1 1027 119 94 SER N N 119.174 0.300 1 1028 120 95 THR H H 7.486 0.020 1 1029 120 95 THR HA H 4.403 0.020 1 1030 120 95 THR HB H 4.089 0.020 1 1031 120 95 THR HG2 H 1.055 0.020 1 1032 120 95 THR CA C 60.078 0.300 1 1033 120 95 THR CB C 71.154 0.300 1 1034 120 95 THR CG2 C 21.260 0.300 1 1035 120 95 THR N N 110.487 0.300 1 1036 121 96 VAL H H 8.019 0.020 1 1037 121 96 VAL HA H 4.902 0.020 1 1038 121 96 VAL HB H 1.951 0.020 1 1039 121 96 VAL HG1 H 0.879 0.020 2 1040 121 96 VAL HG2 H 0.801 0.020 2 1041 121 96 VAL CA C 61.228 0.300 1 1042 121 96 VAL CB C 34.650 0.300 1 1043 121 96 VAL CG1 C 23.169 0.300 1 1044 121 96 VAL CG2 C 21.260 0.300 1 1045 121 96 VAL N N 119.656 0.300 1 1046 122 97 ALA H H 8.566 0.020 1 1047 122 97 ALA HA H 5.415 0.020 1 1048 122 97 ALA HB H 1.157 0.020 1 1049 122 97 ALA CA C 50.630 0.300 1 1050 122 97 ALA CB C 21.779 0.300 1 1051 122 97 ALA N N 130.711 0.300 1 1052 123 98 LEU H H 8.614 0.020 1 1053 123 98 LEU HA H 4.789 0.020 1 1054 123 98 LEU HB2 H 1.657 0.020 2 1055 123 98 LEU HB3 H 0.996 0.020 2 1056 123 98 LEU HG H 1.310 0.020 1 1057 123 98 LEU HD1 H 0.670 0.020 1 1058 123 98 LEU C C 175.144 0.300 1 1059 123 98 LEU CA C 53.241 0.300 1 1060 123 98 LEU CB C 47.086 0.300 1 1061 123 98 LEU CG C 25.736 0.300 1 1062 123 98 LEU CD1 C 25.074 0.300 1 1063 123 98 LEU CD2 C 24.357 0.300 1 1064 123 98 LEU N N 119.768 0.300 1 1065 124 99 ARG H H 8.621 0.020 1 1066 124 99 ARG HA H 4.390 0.020 1 1067 124 99 ARG HB2 H 1.284 0.020 1 1068 124 99 ARG HB3 H 1.284 0.020 1 1069 124 99 ARG HG2 H 1.461 0.020 2 1070 124 99 ARG HG3 H 1.640 0.020 2 1071 124 99 ARG HD2 H 2.909 0.020 2 1072 124 99 ARG HD3 H 1.644 0.020 2 1073 124 99 ARG HE H 6.330 0.020 1 1074 124 99 ARG C C 175.348 0.300 1 1075 124 99 ARG CA C 57.587 0.300 1 1076 124 99 ARG CB C 31.515 0.300 1 1077 124 99 ARG CG C 26.700 0.300 1 1078 124 99 ARG CD C 44.095 0.300 1 1079 124 99 ARG N N 122.522 0.300 1 1080 124 99 ARG NE N 137.431 0.300 1 1081 125 100 ILE H H 8.600 0.020 1 1082 125 100 ILE HA H 4.010 0.020 1 1083 125 100 ILE HB H 1.789 0.020 1 1084 125 100 ILE HG12 H 0.949 0.020 2 1085 125 100 ILE HG13 H 1.760 0.020 2 1086 125 100 ILE HG2 H 1.096 0.020 1 1087 125 100 ILE HD1 H 0.718 0.020 1 1088 125 100 ILE C C 177.786 0.300 1 1089 125 100 ILE CA C 63.639 0.300 1 1090 125 100 ILE CB C 38.747 0.300 1 1091 125 100 ILE CG1 C 29.184 0.300 1 1092 125 100 ILE CG2 C 18.618 0.300 1 1093 125 100 ILE CD1 C 15.586 0.300 1 1094 125 100 ILE N N 125.895 0.300 1 1095 126 101 GLY H H 8.772 0.020 1 1096 126 101 GLY HA2 H 4.593 0.020 2 1097 126 101 GLY HA3 H 3.655 0.020 2 1098 126 101 GLY C C 176.688 0.300 1 1099 126 101 GLY CA C 45.499 0.300 1 1100 126 101 GLY N N 117.324 0.300 1 1101 127 102 PHE H H 7.972 0.020 1 1102 127 102 PHE HA H 4.537 0.020 1 1103 127 102 PHE HB2 H 3.911 0.020 2 1104 127 102 PHE HB3 H 2.954 0.020 2 1105 127 102 PHE HD1 H 7.344 0.020 1 1106 127 102 PHE HD2 H 7.344 0.020 1 1107 127 102 PHE HE1 H 7.215 0.020 1 1108 127 102 PHE HE2 H 7.215 0.020 1 1109 127 102 PHE C C 174.065 0.300 1 1110 127 102 PHE CA C 57.652 0.300 1 1111 127 102 PHE CB C 37.185 0.300 1 1112 127 102 PHE CD1 C 132.263 0.300 1 1113 127 102 PHE CD2 C 132.263 0.300 1 1114 127 102 PHE N N 121.787 0.300 1 1115 128 103 SER H H 8.256 0.020 1 1116 128 103 SER HA H 4.238 0.020 1 1117 128 103 SER HB2 H 3.929 0.020 2 1118 128 103 SER HB3 H 3.654 0.020 2 1119 128 103 SER CA C 64.779 0.300 1 1120 128 103 SER CB C 63.417 0.300 1 1121 128 103 SER N N 114.842 0.300 1 1122 129 104 ASN H H 8.390 0.020 1 1123 129 104 ASN HA H 4.587 0.020 1 1124 129 104 ASN HB2 H 2.523 0.020 2 1125 129 104 ASN HB3 H 2.762 0.020 2 1126 129 104 ASN HD21 H 6.832 0.020 1 1127 129 104 ASN HD22 H 6.832 0.020 1 1128 129 104 ASN C C 173.358 0.300 1 1129 129 104 ASN CA C 53.376 0.300 1 1130 129 104 ASN CB C 38.534 0.300 1 1131 129 104 ASN N N 116.238 0.300 1 1132 129 104 ASN ND2 N 111.106 0.300 1 1133 130 105 LYS H H 7.850 0.020 1 1134 130 105 LYS HA H 3.653 0.020 1 1135 130 105 LYS HB2 H 1.494 0.020 2 1136 130 105 LYS HB3 H 1.842 0.020 2 1137 130 105 LYS HG2 H 1.232 0.020 2 1138 130 105 LYS HG3 H 0.978 0.020 2 1139 130 105 LYS HD2 H 1.571 0.020 1 1140 130 105 LYS HD3 H 1.571 0.020 1 1141 130 105 LYS HE2 H 2.914 0.020 1 1142 130 105 LYS HE3 H 2.914 0.020 1 1143 130 105 LYS C C 177.507 0.300 1 1144 130 105 LYS CA C 58.823 0.300 1 1145 130 105 LYS CB C 33.582 0.300 1 1146 130 105 LYS CG C 24.853 0.300 1 1147 130 105 LYS CD C 29.584 0.300 1 1148 130 105 LYS CE C 41.920 0.300 1 1149 130 105 LYS N N 119.498 0.300 1 1150 131 106 GLY H H 7.986 0.020 1 1151 131 106 GLY HA2 H 3.699 0.020 2 1152 131 106 GLY HA3 H 4.281 0.020 2 1153 131 106 GLY C C 175.721 0.300 1 1154 131 106 GLY CA C 44.498 0.300 1 1155 131 106 GLY N N 114.608 0.300 1 1156 132 107 LYS H H 7.401 0.020 1 1157 132 107 LYS HA H 4.585 0.020 1 1158 132 107 LYS HB2 H 2.113 0.020 2 1159 132 107 LYS HB3 H 1.824 0.020 2 1160 132 107 LYS HG2 H 1.253 0.020 2 1161 132 107 LYS HG3 H 1.164 0.020 2 1162 132 107 LYS HD2 H 1.451 0.020 2 1163 132 107 LYS HD3 H 1.298 0.020 2 1164 132 107 LYS HE2 H 2.555 0.020 1 1165 132 107 LYS HE3 H 2.555 0.020 1 1166 132 107 LYS C C 174.995 0.300 1 1167 132 107 LYS CA C 53.241 0.300 1 1168 132 107 LYS CB C 28.473 0.300 1 1169 132 107 LYS CG C 24.139 0.300 1 1170 132 107 LYS CD C 28.040 0.300 1 1171 132 107 LYS CE C 41.478 0.300 1 1172 132 107 LYS N N 123.722 0.300 1 1173 133 108 GLY H H 7.515 0.020 1 1174 133 108 GLY HA2 H 3.638 0.020 2 1175 133 108 GLY HA3 H 4.272 0.020 2 1176 133 108 GLY C C 172.781 0.300 1 1177 133 108 GLY CA C 45.445 0.300 1 1178 133 108 GLY N N 103.872 0.300 1 1179 134 109 HIS H H 7.259 0.020 1 1180 134 109 HIS HA H 4.585 0.020 1 1181 134 109 HIS HB2 H 2.974 0.020 1 1182 134 109 HIS HB3 H 2.974 0.020 1 1183 134 109 HIS HD2 H 7.093 0.020 1 1184 134 109 HIS HE1 H 7.437 0.020 1 1185 134 109 HIS C C 173.023 0.300 1 1186 134 109 HIS CA C 54.636 0.300 1 1187 134 109 HIS CB C 33.695 0.300 1 1188 134 109 HIS CD2 C 118.389 0.300 1 1189 134 109 HIS CE1 C 137.756 0.300 1 1190 134 109 HIS N N 113.790 0.300 1 1191 134 109 HIS ND1 N 257.152 0.300 1 1192 134 109 HIS NE2 N 167.750 0.300 1 1193 135 110 ASP H H 8.878 0.020 1 1194 135 110 ASP HA H 4.930 0.020 1 1195 135 110 ASP HB2 H 2.682 0.020 2 1196 135 110 ASP HB3 H 2.104 0.020 2 1197 135 110 ASP CA C 53.658 0.300 1 1198 135 110 ASP CB C 42.585 0.300 1 1199 135 110 ASP N N 120.750 0.300 1 1200 136 111 ALA H H 11.404 0.020 1 1201 136 111 ALA HA H 4.930 0.020 1 1202 136 111 ALA HB H 1.300 0.020 1 1203 136 111 ALA CA C 51.840 0.300 1 1204 136 111 ALA CB C 21.141 0.300 1 1205 136 111 ALA N N 132.148 0.300 1 1206 137 112 ILE H H 10.832 0.020 1 1207 137 112 ILE HA H 3.954 0.020 1 1208 137 112 ILE HB H 1.767 0.020 1 1209 137 112 ILE HG12 H 0.678 0.020 2 1210 137 112 ILE HG13 H 1.141 0.020 2 1211 137 112 ILE HD1 H 0.518 0.020 1 1212 137 112 ILE CA C 61.378 0.300 1 1213 137 112 ILE CB C 37.922 0.300 1 1214 137 112 ILE CG1 C 28.431 0.300 1 1215 137 112 ILE CG2 C 18.926 0.300 1 1216 137 112 ILE CD1 C 14.010 0.300 1 1217 137 112 ILE N N 119.097 0.300 1 1218 138 113 ASN H H 6.590 0.020 1 1219 138 113 ASN HA H 4.804 0.020 1 1220 138 113 ASN HB2 H 3.062 0.020 2 1221 138 113 ASN HB3 H 2.073 0.020 2 1222 138 113 ASN HD21 H 7.031 0.020 1 1223 138 113 ASN HD22 H 8.121 0.020 1 1224 138 113 ASN C C 173.990 0.300 1 1225 138 113 ASN CA C 54.788 0.300 1 1226 138 113 ASN CB C 43.631 0.300 1 1227 138 113 ASN N N 115.194 0.300 1 1228 138 113 ASN ND2 N 107.383 0.300 1 1229 139 114 LEU H H 9.463 0.020 1 1230 139 114 LEU HA H 3.429 0.020 1 1231 139 114 LEU HB2 H 1.338 0.020 2 1232 139 114 LEU HB3 H 1.572 0.020 2 1233 139 114 LEU HG H 1.103 0.020 1 1234 139 114 LEU HD1 H 0.694 0.020 2 1235 139 114 LEU HD2 H 0.265 0.020 2 1236 139 114 LEU CA C 59.002 0.300 1 1237 139 114 LEU CB C 44.490 0.300 1 1238 139 114 LEU CG C 25.721 0.300 1 1239 139 114 LEU CD1 C 25.688 0.300 1 1240 139 114 LEU CD2 C 22.500 0.300 1 1241 139 114 LEU N N 129.081 0.300 1 1242 140 115 GLU H H 10.083 0.020 1 1243 140 115 GLU HA H 4.048 0.020 1 1244 140 115 GLU HB2 H 1.693 0.020 1 1245 140 115 GLU HB3 H 1.693 0.020 1 1246 140 115 GLU HG2 H 2.727 0.020 1 1247 140 115 GLU HG3 H 2.727 0.020 1 1248 140 115 GLU CA C 58.727 0.300 1 1249 140 115 GLU CB C 28.818 0.300 1 1250 140 115 GLU CG C 34.574 0.300 1 1251 140 115 GLU N N 117.664 0.300 1 1252 141 116 LEU H H 9.539 0.020 1 1253 141 116 LEU HA H 4.029 0.020 1 1254 141 116 LEU HB2 H 1.346 0.020 2 1255 141 116 LEU HB3 H 1.890 0.020 2 1256 141 116 LEU HG H 1.651 0.020 1 1257 141 116 LEU HD1 H 0.873 0.020 2 1258 141 116 LEU HD2 H 0.858 0.020 2 1259 141 116 LEU C C 177.358 0.300 1 1260 141 116 LEU CA C 59.178 0.300 1 1261 141 116 LEU CB C 42.310 0.300 1 1262 141 116 LEU CG C 29.008 0.300 1 1263 141 116 LEU CD1 C 24.221 0.300 1 1264 141 116 LEU CD2 C 25.663 0.300 1 1265 141 116 LEU N N 124.566 0.300 1 1266 142 117 HIS H H 7.484 0.020 1 1267 142 117 HIS HA H 4.020 0.020 1 1268 142 117 HIS HB2 H 3.393 0.020 2 1269 142 117 HIS HB3 H 2.920 0.020 2 1270 142 117 HIS HD2 H 6.557 0.020 1 1271 142 117 HIS HE1 H 7.947 0.020 1 1272 142 117 HIS CA C 59.686 0.300 1 1273 142 117 HIS CB C 28.870 0.300 1 1274 142 117 HIS CE1 C 138.293 0.300 1 1275 142 117 HIS N N 116.369 0.300 1 1276 142 117 HIS ND1 N 172.242 0.300 1 1277 142 117 HIS NE2 N 210.540 0.300 1 1278 143 118 GLU H H 9.064 0.020 1 1279 143 118 GLU HA H 4.455 0.020 1 1280 143 118 GLU HB2 H 1.966 0.020 1 1281 143 118 GLU HB3 H 1.966 0.020 1 1282 143 118 GLU HG2 H 2.413 0.020 2 1283 143 118 GLU HG3 H 1.711 0.020 2 1284 143 118 GLU CA C 58.471 0.300 1 1285 143 118 GLU CB C 28.903 0.300 1 1286 143 118 GLU CG C 35.387 0.300 1 1287 143 118 GLU N N 113.398 0.300 1 1288 144 119 THR H H 7.902 0.020 1 1289 144 119 THR HA H 3.717 0.020 1 1290 144 119 THR HB H 3.852 0.020 1 1291 144 119 THR HG2 H 0.824 0.020 1 1292 144 119 THR CA C 68.006 0.300 1 1293 144 119 THR CB C 66.676 0.300 1 1294 144 119 THR CG2 C 21.192 0.300 1 1295 144 119 THR N N 115.773 0.300 1 1296 145 120 ALA H H 7.686 0.020 1 1297 145 120 ALA HA H 2.887 0.020 1 1298 145 120 ALA HB H 1.034 0.020 1 1299 145 120 ALA C C 179.572 0.300 1 1300 145 120 ALA CA C 55.402 0.300 1 1301 145 120 ALA CB C 19.833 0.300 1 1302 145 120 ALA N N 124.280 0.300 1 1303 146 121 HIS H H 7.046 0.020 1 1304 146 121 HIS HA H 4.597 0.020 1 1305 146 121 HIS HB2 H 3.477 0.020 2 1306 146 121 HIS HB3 H 2.901 0.020 2 1307 146 121 HIS HD2 H 7.567 0.020 1 1308 146 121 HIS HE1 H 7.130 0.020 1 1309 146 121 HIS CA C 58.239 0.300 1 1310 146 121 HIS CB C 28.597 0.300 1 1311 146 121 HIS CE1 C 139.185 0.300 1 1312 146 121 HIS N N 113.103 0.300 1 1313 146 121 HIS ND1 N 171.420 0.300 1 1314 146 121 HIS NE2 N 207.590 0.300 1 1315 147 122 ALA H H 7.078 0.020 1 1316 147 122 ALA HA H 4.623 0.020 1 1317 147 122 ALA HB H 1.334 0.020 1 1318 147 122 ALA CA C 54.435 0.300 1 1319 147 122 ALA CB C 18.252 0.300 1 1320 147 122 ALA N N 122.065 0.300 1 1321 148 123 ILE H H 8.048 0.020 1 1322 148 123 ILE HA H 3.223 0.020 1 1323 148 123 ILE HB H 1.216 0.020 1 1324 148 123 ILE HG12 H 1.605 0.020 2 1325 148 123 ILE HG13 H 0.464 0.020 2 1326 148 123 ILE HG2 H 0.272 0.020 1 1327 148 123 ILE HD1 H 0.440 0.020 1 1328 148 123 ILE CA C 65.890 0.300 1 1329 148 123 ILE CB C 37.750 0.300 1 1330 148 123 ILE CG1 C 31.283 0.300 1 1331 148 123 ILE CG2 C 16.930 0.300 1 1332 148 123 ILE CD1 C 15.344 0.300 1 1333 148 123 ILE N N 119.522 0.300 1 1334 149 124 ASP H H 8.608 0.020 1 1335 149 124 ASP HA H 3.791 0.020 1 1336 149 124 ASP HB2 H 2.598 0.020 2 1337 149 124 ASP HB3 H 2.752 0.020 2 1338 149 124 ASP C C 176.744 0.300 1 1339 149 124 ASP CA C 56.707 0.300 1 1340 149 124 ASP CB C 41.799 0.300 1 1341 149 124 ASP N N 118.490 0.300 1 1342 150 125 HIS H H 7.653 0.020 1 1343 150 125 HIS HA H 4.511 0.020 1 1344 150 125 HIS HB2 H 3.192 0.020 2 1345 150 125 HIS HB3 H 2.954 0.020 2 1346 150 125 HIS HD2 H 6.615 0.020 1 1347 150 125 HIS HE1 H 8.200 0.020 1 1348 150 125 HIS C C 175.981 0.300 1 1349 150 125 HIS CA C 58.672 0.300 1 1350 150 125 HIS CB C 30.069 0.300 1 1351 150 125 HIS N N 112.270 0.300 1 1352 150 125 HIS ND1 N 193.083 0.300 1 1353 150 125 HIS NE2 N 178.580 0.300 1 1354 151 126 ILE H H 8.705 0.020 1 1355 151 126 ILE HA H 3.574 0.020 1 1356 151 126 ILE HB H 1.815 0.020 1 1357 151 126 ILE HG12 H 1.214 0.020 1 1358 151 126 ILE HG13 H 1.214 0.020 1 1359 151 126 ILE HG2 H 0.678 0.020 1 1360 151 126 ILE HD1 H 0.799 0.020 1 1361 151 126 ILE C C 176.762 0.300 1 1362 151 126 ILE CA C 62.559 0.300 1 1363 151 126 ILE CB C 37.993 0.300 1 1364 151 126 ILE CG1 C 28.010 0.300 1 1365 151 126 ILE CG2 C 16.564 0.300 1 1366 151 126 ILE CD1 C 13.140 0.300 1 1367 151 126 ILE N N 115.565 0.300 1 1368 152 127 VAL H H 7.289 0.020 1 1369 152 127 VAL HA H 3.839 0.020 1 1370 152 127 VAL HB H 2.534 0.020 1 1371 152 127 VAL HG1 H 0.855 0.020 2 1372 152 127 VAL HG2 H 0.972 0.020 2 1373 152 127 VAL C C 177.153 0.300 1 1374 152 127 VAL CA C 64.449 0.300 1 1375 152 127 VAL CB C 31.923 0.300 1 1376 152 127 VAL CG1 C 23.021 0.300 1 1377 152 127 VAL CG2 C 21.553 0.300 1 1378 152 127 VAL N N 117.023 0.300 1 1379 153 128 LEU H H 7.547 0.020 1 1380 153 128 LEU HA H 4.458 0.020 1 1381 153 128 LEU HB2 H 1.675 0.020 2 1382 153 128 LEU HB3 H 1.997 0.020 2 1383 153 128 LEU HG H 0.802 0.020 1 1384 153 128 LEU HD1 H 0.896 0.020 2 1385 153 128 LEU HD2 H 1.346 0.020 2 1386 153 128 LEU C C 176.502 0.300 1 1387 153 128 LEU CA C 53.239 0.300 1 1388 153 128 LEU CB C 41.684 0.300 1 1389 153 128 LEU CG C 27.348 0.300 1 1390 153 128 LEU CD1 C 22.871 0.300 1 1391 153 128 LEU CD2 C 26.157 0.300 1 1392 153 128 LEU N N 115.156 0.300 1 1393 154 129 ASN H H 7.167 0.020 1 1394 154 129 ASN HA H 4.133 0.020 1 1395 154 129 ASN HB2 H 2.864 0.020 2 1396 154 129 ASN HB3 H 2.460 0.020 2 1397 154 129 ASN HD21 H 6.677 0.020 1 1398 154 129 ASN HD22 H 7.400 0.020 1 1399 154 129 ASN C C 174.046 0.300 1 1400 154 129 ASN CA C 54.198 0.300 1 1401 154 129 ASN CB C 38.025 0.300 1 1402 154 129 ASN N N 114.633 0.300 1 1403 154 129 ASN ND2 N 111.573 0.300 1 1404 155 130 ASP H H 9.049 0.020 1 1405 155 130 ASP HA H 3.836 0.020 1 1406 155 130 ASP HB2 H 2.864 0.020 2 1407 155 130 ASP HB3 H 2.460 0.020 2 1408 155 130 ASP C C 177.153 0.300 1 1409 155 130 ASP CA C 54.958 0.300 1 1410 155 130 ASP CB C 38.364 0.300 1 1411 155 130 ASP N N 114.010 0.300 1 1412 156 131 ILE H H 6.459 0.020 1 1413 156 131 ILE HA H 4.054 0.020 1 1414 156 131 ILE HB H 2.046 0.020 1 1415 156 131 ILE HG12 H 1.358 0.020 2 1416 156 131 ILE HG13 H 1.708 0.020 2 1417 156 131 ILE HG2 H 0.424 0.020 1 1418 156 131 ILE HD1 H 1.082 0.020 1 1419 156 131 ILE C C 178.009 0.300 1 1420 156 131 ILE CA C 63.549 0.300 1 1421 156 131 ILE CB C 37.559 0.300 1 1422 156 131 ILE CG1 C 30.961 0.300 1 1423 156 131 ILE CG2 C 17.681 0.300 1 1424 156 131 ILE CD1 C 15.025 0.300 1 1425 156 131 ILE N N 123.991 0.300 1 1426 157 132 SER H H 9.063 0.020 1 1427 157 132 SER HA H 3.319 0.020 1 1428 157 132 SER HB2 H 2.729 0.020 1 1429 157 132 SER HB3 H 2.729 0.020 1 1430 157 132 SER C C 177.153 0.300 1 1431 157 132 SER CA C 60.308 0.300 1 1432 157 132 SER CB C 60.800 0.300 1 1433 157 132 SER N N 122.663 0.300 1 1434 158 133 LYS H H 7.272 0.020 1 1435 158 133 LYS HA H 4.377 0.020 1 1436 158 133 LYS HB2 H 1.622 0.020 2 1437 158 133 LYS HB3 H 2.047 0.020 2 1438 158 133 LYS HG2 H 1.399 0.020 2 1439 158 133 LYS HG3 H 1.307 0.020 2 1440 158 133 LYS HD2 H 1.503 0.020 2 1441 158 133 LYS HD3 H 1.597 0.020 2 1442 158 133 LYS HE2 H 2.859 0.020 1 1443 158 133 LYS HE3 H 2.859 0.020 1 1444 158 133 LYS C C 177.153 0.300 1 1445 158 133 LYS CA C 55.177 0.300 1 1446 158 133 LYS CB C 32.322 0.300 1 1447 158 133 LYS CG C 25.343 0.300 1 1448 158 133 LYS CD C 29.282 0.300 1 1449 158 133 LYS CE C 42.269 0.300 1 1450 158 133 LYS N N 116.410 0.300 1 1451 159 134 SER H H 7.961 0.020 1 1452 159 134 SER HA H 4.349 0.020 1 1453 159 134 SER HB2 H 4.413 0.020 2 1454 159 134 SER HB3 H 4.243 0.020 2 1455 159 134 SER C C 174.921 0.300 1 1456 159 134 SER CA C 58.340 0.300 1 1457 159 134 SER CB C 65.902 0.300 1 1458 159 134 SER N N 116.638 0.300 1 1459 160 135 ALA H H 9.104 0.020 1 1460 160 135 ALA HA H 4.051 0.020 1 1461 160 135 ALA HB H 1.460 0.020 1 1462 160 135 ALA CA C 55.490 0.300 1 1463 160 135 ALA CB C 17.891 0.300 1 1464 160 135 ALA N N 125.438 0.300 1 1465 161 136 GLN H H 8.868 0.020 1 1466 161 136 GLN HA H 4.068 0.020 1 1467 161 136 GLN HB2 H 2.210 0.020 2 1468 161 136 GLN HB3 H 2.086 0.020 2 1469 161 136 GLN HG2 H 2.532 0.020 2 1470 161 136 GLN HG3 H 2.448 0.020 2 1471 161 136 GLN HE21 H 7.032 0.020 1 1472 161 136 GLN HE22 H 7.653 0.020 1 1473 161 136 GLN C C 178.493 0.300 1 1474 161 136 GLN CA C 59.003 0.300 1 1475 161 136 GLN CB C 27.982 0.300 1 1476 161 136 GLN CG C 33.997 0.300 1 1477 161 136 GLN N N 115.908 0.300 1 1478 161 136 GLN NE2 N 111.217 0.300 1 1479 162 137 PHE H H 7.836 0.020 1 1480 162 137 PHE HA H 3.822 0.020 1 1481 162 137 PHE HB2 H 2.528 0.020 2 1482 162 137 PHE HB3 H 2.916 0.020 2 1483 162 137 PHE HD1 H 6.745 0.020 1 1484 162 137 PHE HD2 H 6.745 0.020 1 1485 162 137 PHE C C 176.967 0.300 1 1486 162 137 PHE CA C 61.534 0.300 1 1487 162 137 PHE CB C 39.104 0.300 1 1488 162 137 PHE CD1 C 132.496 0.300 1 1489 162 137 PHE CD2 C 132.496 0.300 1 1490 162 137 PHE N N 119.341 0.300 1 1491 163 138 LYS H H 8.566 0.020 1 1492 163 138 LYS HA H 3.808 0.020 1 1493 163 138 LYS HB2 H 1.908 0.020 1 1494 163 138 LYS HB3 H 1.908 0.020 1 1495 163 138 LYS HG2 H 1.630 0.020 2 1496 163 138 LYS HG3 H 1.320 0.020 2 1497 163 138 LYS HD2 H 1.630 0.020 1 1498 163 138 LYS HD3 H 1.630 0.020 1 1499 163 138 LYS HE2 H 2.918 0.020 1 1500 163 138 LYS HE3 H 2.918 0.020 1 1501 163 138 LYS C C 178.958 0.300 1 1502 163 138 LYS CA C 60.893 0.300 1 1503 163 138 LYS CB C 31.421 0.300 1 1504 163 138 LYS CG C 26.130 0.300 1 1505 163 138 LYS CD C 29.316 0.300 1 1506 163 138 LYS CE C 41.746 0.300 1 1507 163 138 LYS N N 119.558 0.300 1 1508 164 139 GLN H H 7.521 0.020 1 1509 164 139 GLN HA H 4.040 0.020 1 1510 164 139 GLN HB2 H 2.072 0.020 1 1511 164 139 GLN HB3 H 2.072 0.020 1 1512 164 139 GLN HG2 H 2.439 0.020 2 1513 164 139 GLN HG3 H 2.364 0.020 2 1514 164 139 GLN HE21 H 6.860 0.020 1 1515 164 139 GLN HE22 H 7.410 0.020 1 1516 164 139 GLN C C 178.344 0.300 1 1517 164 139 GLN CA C 58.396 0.300 1 1518 164 139 GLN CB C 28.451 0.300 1 1519 164 139 GLN CG C 33.800 0.300 1 1520 164 139 GLN N N 116.718 0.300 1 1521 164 139 GLN NE2 N 111.495 0.300 1 1522 165 140 ILE H H 6.880 0.020 1 1523 165 140 ILE HA H 3.343 0.020 1 1524 165 140 ILE HB H 1.196 0.020 1 1525 165 140 ILE HG12 H 1.607 0.020 2 1526 165 140 ILE HG13 H 0.740 0.020 2 1527 165 140 ILE HG2 H 0.545 0.020 1 1528 165 140 ILE HD1 H 0.625 0.020 1 1529 165 140 ILE C C 177.730 0.300 1 1530 165 140 ILE CA C 65.350 0.300 1 1531 165 140 ILE CB C 38.083 0.300 1 1532 165 140 ILE CG1 C 28.499 0.300 1 1533 165 140 ILE CG2 C 18.716 0.300 1 1534 165 140 ILE CD1 C 14.314 0.300 1 1535 165 140 ILE N N 121.324 0.300 1 1536 166 141 PHE H H 8.541 0.020 1 1537 166 141 PHE HA H 3.449 0.020 1 1538 166 141 PHE HB2 H 2.900 0.020 2 1539 166 141 PHE HB3 H 2.783 0.020 2 1540 166 141 PHE HD1 H 7.069 0.020 1 1541 166 141 PHE HD2 H 7.069 0.020 1 1542 166 141 PHE HE1 H 7.203 0.020 1 1543 166 141 PHE HE2 H 7.203 0.020 1 1544 166 141 PHE C C 177.228 0.300 1 1545 166 141 PHE CA C 59.661 0.300 1 1546 166 141 PHE CB C 38.731 0.300 1 1547 166 141 PHE CD1 C 133.086 0.300 1 1548 166 141 PHE CD2 C 133.086 0.300 1 1549 166 141 PHE N N 121.586 0.300 1 1550 167 142 ALA H H 8.171 0.020 1 1551 167 142 ALA HA H 3.555 0.020 1 1552 167 142 ALA HB H 1.351 0.020 1 1553 167 142 ALA C C 178.623 0.300 1 1554 167 142 ALA CA C 54.428 0.300 1 1555 167 142 ALA CB C 17.959 0.300 1 1556 167 142 ALA N N 121.948 0.300 1 1557 168 143 LYS H H 6.942 0.020 1 1558 168 143 LYS HA H 4.202 0.020 1 1559 168 143 LYS HB2 H 1.848 0.020 2 1560 168 143 LYS HB3 H 1.796 0.020 2 1561 168 143 LYS HG2 H 1.366 0.020 1 1562 168 143 LYS HG3 H 1.366 0.020 1 1563 168 143 LYS HD2 H 1.646 0.020 1 1564 168 143 LYS HD3 H 1.646 0.020 1 1565 168 143 LYS HE2 H 2.913 0.020 1 1566 168 143 LYS HE3 H 2.913 0.020 1 1567 168 143 LYS C C 178.697 0.300 1 1568 168 143 LYS CA C 57.524 0.300 1 1569 168 143 LYS CB C 34.032 0.300 1 1570 168 143 LYS CG C 24.924 0.300 1 1571 168 143 LYS CD C 28.727 0.300 1 1572 168 143 LYS CE C 42.312 0.300 1 1573 168 143 LYS N N 115.207 0.300 1 1574 169 144 GLU H H 8.353 0.020 1 1575 169 144 GLU HA H 4.277 0.020 1 1576 169 144 GLU HB2 H 1.531 0.020 2 1577 169 144 GLU HB3 H 2.279 0.020 2 1578 169 144 GLU HG2 H 2.310 0.020 2 1579 169 144 GLU HG3 H 2.186 0.020 2 1580 169 144 GLU C C 176.632 0.300 1 1581 169 144 GLU CA C 57.501 0.300 1 1582 169 144 GLU CB C 31.061 0.300 1 1583 169 144 GLU CG C 36.842 0.300 1 1584 169 144 GLU N N 116.644 0.300 1 1585 170 145 GLY H H 7.613 0.020 1 1586 170 145 GLY HA2 H 1.877 0.020 2 1587 170 145 GLY HA3 H 2.587 0.020 2 1588 170 145 GLY C C 172.799 0.300 1 1589 170 145 GLY CA C 45.537 0.300 1 1590 170 145 GLY N N 105.844 0.300 1 1591 171 146 ARG H H 7.376 0.020 1 1592 171 146 ARG HA H 4.273 0.020 1 1593 171 146 ARG HB2 H 1.934 0.020 2 1594 171 146 ARG HB3 H 1.471 0.020 2 1595 171 146 ARG HG2 H 1.291 0.020 1 1596 171 146 ARG HG3 H 1.291 0.020 1 1597 171 146 ARG HD2 H 3.005 0.020 1 1598 171 146 ARG HD3 H 3.005 0.020 1 1599 171 146 ARG C C 179.293 0.300 1 1600 171 146 ARG CA C 55.987 0.300 1 1601 171 146 ARG CB C 29.044 0.300 1 1602 171 146 ARG CG C 28.588 0.300 1 1603 171 146 ARG CD C 43.016 0.300 1 1604 171 146 ARG N N 114.317 0.300 1 1605 172 147 SER H H 8.010 0.020 1 1606 172 147 SER HA H 4.238 0.020 1 1607 172 147 SER HB2 H 4.016 0.020 2 1608 172 147 SER HB3 H 4.121 0.020 2 1609 172 147 SER C C 173.506 0.300 1 1610 172 147 SER CA C 60.784 0.300 1 1611 172 147 SER CB C 64.029 0.300 1 1612 172 147 SER N N 116.379 0.300 1 1613 173 148 LEU H H 9.088 0.020 1 1614 173 148 LEU HA H 4.437 0.020 1 1615 173 148 LEU HB2 H 1.623 0.020 1 1616 173 148 LEU HB3 H 1.623 0.020 1 1617 173 148 LEU HG H 1.480 0.020 1 1618 173 148 LEU HD1 H 0.293 0.020 2 1619 173 148 LEU HD2 H 0.189 0.020 2 1620 173 148 LEU C C 177.135 0.300 1 1621 173 148 LEU CA C 53.196 0.300 1 1622 173 148 LEU CB C 42.945 0.300 1 1623 173 148 LEU CG C 26.419 0.300 1 1624 173 148 LEU CD1 C 23.714 0.300 1 1625 173 148 LEU CD2 C 21.688 0.300 1 1626 173 148 LEU N N 121.770 0.300 1 1627 174 149 GLY H H 7.469 0.020 1 1628 174 149 GLY HA2 H 4.185 0.020 2 1629 174 149 GLY HA3 H 3.583 0.020 2 1630 174 149 GLY C C 172.948 0.300 1 1631 174 149 GLY CA C 44.128 0.300 1 1632 174 149 GLY N N 107.190 0.300 1 1633 175 150 ASN H H 8.703 0.020 1 1634 175 150 ASN HA H 4.470 0.020 1 1635 175 150 ASN HB2 H 3.339 0.020 2 1636 175 150 ASN HB3 H 2.699 0.020 2 1637 175 150 ASN HD21 H 8.283 0.020 1 1638 175 150 ASN HD22 H 7.206 0.020 1 1639 175 150 ASN CA C 52.746 0.300 1 1640 175 150 ASN CB C 37.257 0.300 1 1641 175 150 ASN N N 118.367 0.300 1 1642 175 150 ASN ND2 N 111.425 0.300 1 1643 176 151 VAL H H 8.228 0.020 1 1644 176 151 VAL HA H 3.465 0.020 1 1645 176 151 VAL HB H 2.086 0.020 1 1646 176 151 VAL HG1 H 1.006 0.020 2 1647 176 151 VAL HG2 H 0.868 0.020 2 1648 176 151 VAL C C 177.265 0.300 1 1649 176 151 VAL CA C 66.565 0.300 1 1650 176 151 VAL CB C 31.630 0.300 1 1651 176 151 VAL CG1 C 21.981 0.300 1 1652 176 151 VAL CG2 C 18.259 0.300 1 1653 176 151 VAL N N 112.568 0.300 1 1654 177 152 ASN H H 8.642 0.020 1 1655 177 152 ASN HA H 4.678 0.020 1 1656 177 152 ASN HB2 H 2.777 0.020 2 1657 177 152 ASN HB3 H 2.898 0.020 2 1658 177 152 ASN HD21 H 6.884 0.020 1 1659 177 152 ASN HD22 H 7.550 0.020 1 1660 177 152 ASN C C 173.190 0.300 1 1661 177 152 ASN CA C 53.826 0.300 1 1662 177 152 ASN CB C 37.790 0.300 1 1663 177 152 ASN N N 117.588 0.300 1 1664 177 152 ASN ND2 N 112.632 0.300 1 1665 178 153 TYR H H 8.018 0.020 1 1666 178 153 TYR HA H 4.914 0.020 1 1667 178 153 TYR HB2 H 2.854 0.020 2 1668 178 153 TYR HB3 H 2.996 0.020 2 1669 178 153 TYR HD1 H 7.306 0.020 1 1670 178 153 TYR HD2 H 7.306 0.020 1 1671 178 153 TYR HE1 H 6.855 0.020 1 1672 178 153 TYR HE2 H 6.855 0.020 1 1673 178 153 TYR CA C 59.609 0.300 1 1674 178 153 TYR CB C 41.395 0.300 1 1675 178 153 TYR CD1 C 133.260 0.300 1 1676 178 153 TYR CD2 C 133.260 0.300 1 1677 178 153 TYR CE1 C 118.022 0.300 1 1678 178 153 TYR CE2 C 118.022 0.300 1 1679 178 153 TYR N N 119.568 0.300 1 1680 179 154 LEU H H 8.437 0.020 1 1681 179 154 LEU HA H 4.116 0.020 1 1682 179 154 LEU HB2 H 2.220 0.020 2 1683 179 154 LEU HB3 H 1.681 0.020 2 1684 179 154 LEU HG H 2.143 0.020 1 1685 179 154 LEU HD1 H 1.170 0.020 2 1686 179 154 LEU HD2 H 1.160 0.020 2 1687 179 154 LEU CA C 57.857 0.300 1 1688 179 154 LEU CB C 41.804 0.300 1 1689 179 154 LEU CG C 27.462 0.300 1 1690 179 154 LEU CD1 C 23.086 0.300 1 1691 179 154 LEU CD2 C 26.351 0.300 1 1692 179 154 LEU N N 118.867 0.300 1 1693 180 155 GLY H H 6.538 0.020 1 1694 180 155 GLY HA2 H 3.752 0.020 2 1695 180 155 GLY HA3 H 3.426 0.020 2 1696 180 155 GLY CA C 45.666 0.300 1 1697 180 155 GLY N N 93.079 0.300 1 1698 181 156 VAL H H 6.878 0.020 1 1699 181 156 VAL HA H 4.071 0.020 1 1700 181 156 VAL HB H 1.393 0.020 1 1701 181 156 VAL HG1 H 0.221 0.020 2 1702 181 156 VAL HG2 H 0.583 0.020 2 1703 181 156 VAL C C 175.014 0.300 1 1704 181 156 VAL CA C 62.661 0.300 1 1705 181 156 VAL CB C 34.392 0.300 1 1706 181 156 VAL CG1 C 20.455 0.300 1 1707 181 156 VAL CG2 C 21.410 0.300 1 1708 181 156 VAL N N 116.071 0.300 1 1709 182 157 TYR H H 7.172 0.020 1 1710 182 157 TYR HA H 5.113 0.020 1 1711 182 157 TYR HB2 H 2.515 0.020 2 1712 182 157 TYR HB3 H 2.997 0.020 2 1713 182 157 TYR HD1 H 7.118 0.020 1 1714 182 157 TYR HD2 H 7.118 0.020 1 1715 182 157 TYR HE1 H 6.885 0.020 1 1716 182 157 TYR HE2 H 6.885 0.020 1 1717 182 157 TYR C C 173.916 0.300 1 1718 182 157 TYR CA C 54.006 0.300 1 1719 182 157 TYR CB C 38.983 0.300 1 1720 182 157 TYR CD1 C 133.951 0.300 1 1721 182 157 TYR CD2 C 133.951 0.300 1 1722 182 157 TYR CE1 C 117.830 0.300 1 1723 182 157 TYR CE2 C 117.830 0.300 1 1724 182 157 TYR N N 120.167 0.300 1 1725 183 158 PRO HA H 3.543 0.020 1 1726 183 158 PRO HB2 H 1.147 0.020 2 1727 183 158 PRO HB3 H 2.051 0.020 2 1728 183 158 PRO HG2 H 1.776 0.020 2 1729 183 158 PRO HG3 H 1.269 0.020 2 1730 183 158 PRO HD2 H 4.043 0.020 2 1731 183 158 PRO HD3 H 3.272 0.020 2 1732 183 158 PRO CA C 65.350 0.300 1 1733 183 158 PRO CB C 30.310 0.300 1 1734 183 158 PRO CG C 26.350 0.300 1 1735 183 158 PRO CD C 50.585 0.300 1 1736 184 159 GLU H H 10.713 0.020 1 1737 184 159 GLU HA H 4.168 0.020 1 1738 184 159 GLU HB2 H 1.966 0.020 2 1739 184 159 GLU HB3 H 2.068 0.020 2 1740 184 159 GLU HG2 H 2.473 0.020 2 1741 184 159 GLU HG3 H 2.120 0.020 2 1742 184 159 GLU C C 180.893 0.300 1 1743 184 159 GLU CA C 59.139 0.300 1 1744 184 159 GLU CB C 27.376 0.300 1 1745 184 159 GLU CG C 34.695 0.300 1 1746 184 159 GLU N N 117.726 0.300 1 1747 185 160 GLU H H 7.568 0.020 1 1748 185 160 GLU HA H 4.636 0.020 1 1749 185 160 GLU HB2 H 2.270 0.020 1 1750 185 160 GLU HB3 H 2.270 0.020 1 1751 185 160 GLU HG2 H 1.910 0.020 1 1752 185 160 GLU HG3 H 1.910 0.020 1 1753 185 160 GLU CA C 57.698 0.300 1 1754 185 160 GLU CB C 28.284 0.300 1 1755 185 160 GLU CG C 33.938 0.300 1 1756 185 160 GLU N N 120.258 0.300 1 1757 186 161 PHE H H 8.083 0.020 1 1758 186 161 PHE HA H 4.425 0.020 1 1759 186 161 PHE HB2 H 3.198 0.020 2 1760 186 161 PHE HB3 H 4.565 0.020 2 1761 186 161 PHE HD1 H 7.327 0.020 1 1762 186 161 PHE HD2 H 7.327 0.020 1 1763 186 161 PHE HE1 H 7.390 0.020 1 1764 186 161 PHE HE2 H 7.390 0.020 1 1765 186 161 PHE C C 178.754 0.300 1 1766 186 161 PHE CA C 62.837 0.300 1 1767 186 161 PHE CB C 39.254 0.300 1 1768 186 161 PHE CD1 C 130.508 0.300 1 1769 186 161 PHE CD2 C 130.508 0.300 1 1770 186 161 PHE N N 120.489 0.300 1 1771 187 162 PHE H H 9.290 0.020 1 1772 187 162 PHE HA H 3.517 0.020 1 1773 187 162 PHE HB2 H 2.644 0.020 2 1774 187 162 PHE HB3 H 2.720 0.020 2 1775 187 162 PHE HD1 H 6.258 0.020 1 1776 187 162 PHE HD2 H 6.258 0.020 1 1777 187 162 PHE HE1 H 6.628 0.020 1 1778 187 162 PHE HE2 H 6.628 0.020 1 1779 187 162 PHE HZ H 6.560 0.020 1 1780 187 162 PHE C C 175.051 0.300 1 1781 187 162 PHE CA C 62.817 0.300 1 1782 187 162 PHE CB C 39.434 0.300 1 1783 187 162 PHE CD1 C 130.800 0.300 1 1784 187 162 PHE CD2 C 130.800 0.300 1 1785 187 162 PHE CE1 C 130.619 0.300 1 1786 187 162 PHE CE2 C 130.619 0.300 1 1787 187 162 PHE N N 119.450 0.300 1 1788 188 163 ALA H H 7.053 0.020 1 1789 188 163 ALA HA H 3.347 0.020 1 1790 188 163 ALA HB H 0.210 0.020 1 1791 188 163 ALA C C 178.270 0.300 1 1792 188 163 ALA CA C 54.429 0.300 1 1793 188 163 ALA CB C 15.422 0.300 1 1794 188 163 ALA N N 120.314 0.300 1 1795 189 164 GLU H H 8.455 0.020 1 1796 189 164 GLU HA H 4.627 0.020 1 1797 189 164 GLU HB2 H 1.842 0.020 2 1798 189 164 GLU HB3 H 2.382 0.020 2 1799 189 164 GLU HG2 H 2.691 0.020 1 1800 189 164 GLU HG3 H 2.691 0.020 1 1801 189 164 GLU C C 179.311 0.300 1 1802 189 164 GLU CA C 58.192 0.300 1 1803 189 164 GLU CB C 30.877 0.300 1 1804 189 164 GLU CG C 33.613 0.300 1 1805 189 164 GLU N N 117.628 0.300 1 1806 190 165 SER H H 8.292 0.020 1 1807 190 165 SER HA H 3.719 0.020 1 1808 190 165 SER HB2 H 3.108 0.020 2 1809 190 165 SER HB3 H 3.425 0.020 2 1810 190 165 SER C C 175.377 0.300 1 1811 190 165 SER CA C 63.539 0.300 1 1812 190 165 SER CB C 61.831 0.300 1 1813 190 165 SER N N 116.773 0.300 1 1814 191 166 PHE H H 8.204 0.020 1 1815 191 166 PHE HA H 3.490 0.020 1 1816 191 166 PHE HB2 H 2.977 0.020 2 1817 191 166 PHE HB3 H 2.076 0.020 2 1818 191 166 PHE HD1 H 6.640 0.020 1 1819 191 166 PHE HD2 H 6.640 0.020 1 1820 191 166 PHE HE1 H 6.699 0.020 1 1821 191 166 PHE HE2 H 6.699 0.020 1 1822 191 166 PHE C C 176.871 0.300 1 1823 191 166 PHE CA C 61.614 0.300 1 1824 191 166 PHE CB C 39.331 0.300 1 1825 191 166 PHE CD1 C 132.257 0.300 1 1826 191 166 PHE CD2 C 132.257 0.300 1 1827 191 166 PHE N N 123.881 0.300 1 1828 192 167 ALA H H 7.940 0.020 1 1829 192 167 ALA HA H 4.044 0.020 1 1830 192 167 ALA HB H 1.518 0.020 1 1831 192 167 ALA C C 178.902 0.300 1 1832 192 167 ALA CA C 55.939 0.300 1 1833 192 167 ALA CB C 17.827 0.300 1 1834 192 167 ALA N N 119.956 0.300 1 1835 193 168 TYR H H 8.768 0.020 1 1836 193 168 TYR HA H 3.742 0.020 1 1837 193 168 TYR HB2 H 2.832 0.020 2 1838 193 168 TYR HB3 H 3.412 0.020 2 1839 193 168 TYR HD1 H 7.574 0.020 1 1840 193 168 TYR HD2 H 7.574 0.020 1 1841 193 168 TYR HE1 H 7.020 0.020 1 1842 193 168 TYR HE2 H 7.020 0.020 1 1843 193 168 TYR C C 178.863 0.300 1 1844 193 168 TYR CA C 61.974 0.300 1 1845 193 168 TYR CB C 39.254 0.300 1 1846 193 168 TYR CD1 C 132.960 0.300 1 1847 193 168 TYR CD2 C 132.960 0.300 1 1848 193 168 TYR CE1 C 117.665 0.300 1 1849 193 168 TYR CE2 C 117.665 0.300 1 1850 193 168 TYR N N 116.693 0.300 1 1851 194 169 TYR H H 8.578 0.020 1 1852 194 169 TYR HA H 3.456 0.020 1 1853 194 169 TYR HB2 H 2.532 0.020 2 1854 194 169 TYR HB3 H 2.462 0.020 2 1855 194 169 TYR HD1 H 5.183 0.020 1 1856 194 169 TYR HD2 H 5.183 0.020 1 1857 194 169 TYR HE1 H 5.657 0.020 1 1858 194 169 TYR HE2 H 5.657 0.020 1 1859 194 169 TYR C C 177.842 0.300 1 1860 194 169 TYR CA C 61.927 0.300 1 1861 194 169 TYR CB C 38.190 0.300 1 1862 194 169 TYR CD1 C 132.871 0.300 1 1863 194 169 TYR CD2 C 132.871 0.300 1 1864 194 169 TYR CE1 C 116.540 0.300 1 1865 194 169 TYR CE2 C 116.540 0.300 1 1866 194 169 TYR N N 118.118 0.300 1 1867 195 170 TYR H H 7.407 0.020 1 1868 195 170 TYR HA H 4.285 0.020 1 1869 195 170 TYR HB2 H 2.258 0.020 1 1870 195 170 TYR HB3 H 2.258 0.020 1 1871 195 170 TYR HD1 H 7.189 0.020 1 1872 195 170 TYR HD2 H 7.189 0.020 1 1873 195 170 TYR C C 176.558 0.300 1 1874 195 170 TYR CA C 60.578 0.300 1 1875 195 170 TYR CB C 40.563 0.300 1 1876 195 170 TYR CD1 C 130.000 0.300 1 1877 195 170 TYR CD2 C 130.000 0.300 1 1878 195 170 TYR N N 110.741 0.300 1 1879 196 171 LEU H H 8.020 0.020 1 1880 196 171 LEU HA H 3.936 0.020 1 1881 196 171 LEU HB2 H 2.220 0.020 2 1882 196 171 LEU HB3 H 1.293 0.020 2 1883 196 171 LEU HG H 1.467 0.020 1 1884 196 171 LEU HD1 H 0.829 0.020 2 1885 196 171 LEU HD2 H 0.763 0.020 2 1886 196 171 LEU C C 175.572 0.300 1 1887 196 171 LEU CA C 60.628 0.300 1 1888 196 171 LEU CB C 39.074 0.300 1 1889 196 171 LEU CG C 26.723 0.300 1 1890 196 171 LEU CD1 C 23.394 0.300 1 1891 196 171 LEU CD2 C 26.376 0.300 1 1892 196 171 LEU N N 123.204 0.300 1 1893 197 172 ASN H H 7.504 0.020 1 1894 197 172 ASN HA H 4.531 0.020 1 1895 197 172 ASN HB2 H 3.158 0.020 2 1896 197 172 ASN HB3 H 3.035 0.020 2 1897 197 172 ASN HD21 H 7.093 0.020 1 1898 197 172 ASN HD22 H 7.476 0.020 1 1899 197 172 ASN C C 174.400 0.300 1 1900 197 172 ASN CA C 52.724 0.300 1 1901 197 172 ASN CB C 38.972 0.300 1 1902 197 172 ASN N N 108.934 0.300 1 1903 197 172 ASN ND2 N 113.519 0.300 1 1904 198 173 GLN H H 8.529 0.020 1 1905 198 173 GLN HA H 4.762 0.020 1 1906 198 173 GLN HB2 H 2.040 0.020 1 1907 198 173 GLN HB3 H 2.040 0.020 1 1908 198 173 GLN HG2 H 2.371 0.020 1 1909 198 173 GLN HG3 H 2.371 0.020 1 1910 198 173 GLN HE21 H 6.797 0.020 1 1911 198 173 GLN HE22 H 7.519 0.020 1 1912 198 173 GLN C C 177.953 0.300 1 1913 198 173 GLN CA C 58.778 0.300 1 1914 198 173 GLN CB C 28.809 0.300 1 1915 198 173 GLN CG C 33.951 0.300 1 1916 198 173 GLN N N 115.806 0.300 1 1917 198 173 GLN NE2 N 112.531 0.300 1 1918 199 174 ASP H H 8.224 0.020 1 1919 199 174 ASP HA H 4.433 0.020 1 1920 199 174 ASP HB2 H 2.671 0.020 2 1921 199 174 ASP HB3 H 2.746 0.020 2 1922 199 174 ASP C C 179.572 0.300 1 1923 199 174 ASP CA C 57.520 0.300 1 1924 199 174 ASP CB C 40.797 0.300 1 1925 199 174 ASP N N 121.708 0.300 1 1926 200 175 THR H H 8.976 0.020 1 1927 200 175 THR HA H 3.934 0.020 1 1928 200 175 THR HB H 4.179 0.020 1 1929 200 175 THR HG2 H 1.040 0.020 1 1930 200 175 THR CA C 65.926 0.300 1 1931 200 175 THR CB C 69.726 0.300 1 1932 200 175 THR CG2 C 21.455 0.300 1 1933 200 175 THR N N 115.219 0.300 1 1934 201 176 ASN H H 8.195 0.020 1 1935 201 176 ASN HA H 4.007 0.020 1 1936 201 176 ASN HB2 H 2.694 0.020 2 1937 201 176 ASN HB3 H 2.584 0.020 2 1938 201 176 ASN C C 176.632 0.300 1 1939 201 176 ASN CA C 59.048 0.300 1 1940 201 176 ASN CB C 39.794 0.300 1 1941 201 176 ASN N N 124.674 0.300 1 1942 202 177 SER H H 8.104 0.020 1 1943 202 177 SER HA H 4.007 0.020 1 1944 202 177 SER HB2 H 3.953 0.020 1 1945 202 177 SER HB3 H 3.953 0.020 1 1946 202 177 SER C C 177.153 0.300 1 1947 202 177 SER CA C 61.671 0.300 1 1948 202 177 SER CB C 62.751 0.300 1 1949 202 177 SER N N 113.621 0.300 1 1950 203 178 LYS H H 8.168 0.020 1 1951 203 178 LYS HA H 4.076 0.020 1 1952 203 178 LYS HB2 H 2.054 0.020 1 1953 203 178 LYS HB3 H 2.054 0.020 1 1954 203 178 LYS HG2 H 1.500 0.020 1 1955 203 178 LYS HG3 H 1.500 0.020 1 1956 203 178 LYS HD2 H 1.490 0.020 1 1957 203 178 LYS HD3 H 1.490 0.020 1 1958 203 178 LYS HE2 H 2.908 0.020 1 1959 203 178 LYS HE3 H 2.908 0.020 1 1960 203 178 LYS C C 178.754 0.300 1 1961 203 178 LYS CA C 59.060 0.300 1 1962 203 178 LYS CB C 31.962 0.300 1 1963 203 178 LYS CG C 25.146 0.300 1 1964 203 178 LYS CD C 28.985 0.300 1 1965 203 178 LYS CE C 41.995 0.300 1 1966 203 178 LYS N N 123.785 0.300 1 1967 204 179 LEU H H 8.355 0.020 1 1968 204 179 LEU HA H 3.857 0.020 1 1969 204 179 LEU HB2 H 2.250 0.020 2 1970 204 179 LEU HB3 H 1.619 0.020 2 1971 204 179 LEU HG H 1.163 0.020 1 1972 204 179 LEU HD1 H 0.896 0.020 1 1973 204 179 LEU HD2 H 0.896 0.020 1 1974 204 179 LEU C C 176.934 0.300 1 1975 204 179 LEU CA C 58.546 0.300 1 1976 204 179 LEU CB C 41.573 0.300 1 1977 204 179 LEU CG C 27.264 0.300 1 1978 204 179 LEU CD1 C 24.335 0.300 1 1979 204 179 LEU CD2 C 24.824 0.300 1 1980 204 179 LEU N N 120.459 0.300 1 1981 205 180 LYS H H 7.679 0.020 1 1982 205 180 LYS HA H 3.054 0.020 1 1983 205 180 LYS HB2 H 0.653 0.020 2 1984 205 180 LYS HB3 H 1.444 0.020 2 1985 205 180 LYS HG2 H 0.283 0.020 2 1986 205 180 LYS HG3 H 0.884 0.020 2 1987 205 180 LYS HD2 H 1.168 0.020 2 1988 205 180 LYS HD3 H 1.109 0.020 2 1989 205 180 LYS HE2 H 2.676 0.020 1 1990 205 180 LYS HE3 H 2.676 0.020 1 1991 205 180 LYS C C 177.376 0.300 1 1992 205 180 LYS CA C 59.609 0.300 1 1993 205 180 LYS CB C 32.115 0.300 1 1994 205 180 LYS CG C 24.619 0.300 1 1995 205 180 LYS CD C 29.195 0.300 1 1996 205 180 LYS CE C 41.975 0.300 1 1997 205 180 LYS N N 117.936 0.300 1 1998 206 181 SER H H 7.323 0.020 1 1999 206 181 SER HA H 4.119 0.020 1 2000 206 181 SER HB2 H 3.821 0.020 1 2001 206 181 SER HB3 H 3.821 0.020 1 2002 206 181 SER C C 175.683 0.300 1 2003 206 181 SER CA C 60.173 0.300 1 2004 206 181 SER CB C 63.504 0.300 1 2005 206 181 SER N N 108.602 0.300 1 2006 207 182 ALA H H 8.249 0.020 1 2007 207 182 ALA HA H 4.297 0.020 1 2008 207 182 ALA HB H 1.426 0.020 1 2009 207 182 ALA C C 178.381 0.300 1 2010 207 182 ALA CA C 54.467 0.300 1 2011 207 182 ALA CB C 20.438 0.300 1 2012 207 182 ALA N N 121.983 0.300 1 2013 208 183 CYS H H 8.628 0.020 1 2014 208 183 CYS HA H 4.547 0.020 1 2015 208 183 CYS HB2 H 3.450 0.020 2 2016 208 183 CYS HB3 H 2.953 0.020 2 2017 208 183 CYS C C 171.088 0.300 1 2018 208 183 CYS CA C 55.009 0.300 1 2019 208 183 CYS CB C 28.901 0.300 1 2020 208 183 CYS N N 113.484 0.300 1 2021 209 184 PRO HA H 4.338 0.020 1 2022 209 184 PRO HB2 H 1.962 0.020 2 2023 209 184 PRO HB3 H 2.405 0.020 2 2024 209 184 PRO HG2 H 2.035 0.020 1 2025 209 184 PRO HG3 H 2.035 0.020 1 2026 209 184 PRO HD2 H 3.536 0.020 2 2027 209 184 PRO HD3 H 3.154 0.020 2 2028 209 184 PRO CA C 65.618 0.300 1 2029 209 184 PRO CB C 32.028 0.300 1 2030 209 184 PRO CG C 27.568 0.300 1 2031 209 184 PRO CD C 49.841 0.300 1 2032 210 185 GLN H H 11.292 0.020 1 2033 210 185 GLN HA H 4.242 0.020 1 2034 210 185 GLN HB2 H 1.978 0.020 1 2035 210 185 GLN HB3 H 1.978 0.020 1 2036 210 185 GLN HG2 H 2.266 0.020 2 2037 210 185 GLN HG3 H 2.497 0.020 2 2038 210 185 GLN HE21 H 6.636 0.020 1 2039 210 185 GLN HE22 H 7.463 0.020 1 2040 210 185 GLN C C 180.502 0.300 1 2041 210 185 GLN CA C 59.678 0.300 1 2042 210 185 GLN CB C 28.811 0.300 1 2043 210 185 GLN CG C 34.904 0.300 1 2044 210 185 GLN N N 122.597 0.300 1 2045 210 185 GLN NE2 N 109.676 0.300 1 2046 211 186 THR H H 10.185 0.020 1 2047 211 186 THR HA H 3.715 0.020 1 2048 211 186 THR HB H 4.303 0.020 1 2049 211 186 THR HG1 H 5.890 0.020 1 2050 211 186 THR HG2 H 1.217 0.020 1 2051 211 186 THR CA C 68.906 0.300 1 2052 211 186 THR CB C 68.001 0.300 1 2053 211 186 THR CG2 C 20.673 0.300 1 2054 211 186 THR N N 125.894 0.300 1 2055 212 187 TYR H H 9.081 0.020 1 2056 212 187 TYR HA H 3.725 0.020 1 2057 212 187 TYR HB2 H 2.795 0.020 2 2058 212 187 TYR HB3 H 3.333 0.020 2 2059 212 187 TYR HD1 H 6.842 0.020 1 2060 212 187 TYR HD2 H 6.842 0.020 1 2061 212 187 TYR HE1 H 6.713 0.020 1 2062 212 187 TYR HE2 H 6.713 0.020 1 2063 212 187 TYR C C 177.135 0.300 1 2064 212 187 TYR CA C 63.414 0.300 1 2065 212 187 TYR CB C 39.344 0.300 1 2066 212 187 TYR CD1 C 132.770 0.300 1 2067 212 187 TYR CD2 C 132.770 0.300 1 2068 212 187 TYR N N 122.353 0.300 1 2069 213 188 SER H H 8.164 0.020 1 2070 213 188 SER HA H 4.318 0.020 1 2071 213 188 SER HB2 H 4.090 0.020 2 2072 213 188 SER HB3 H 4.041 0.020 2 2073 213 188 SER C C 176.260 0.300 1 2074 213 188 SER CA C 61.818 0.300 1 2075 213 188 SER CB C 62.752 0.300 1 2076 213 188 SER N N 112.623 0.300 1 2077 214 189 PHE H H 8.374 0.020 1 2078 214 189 PHE HA H 4.194 0.020 1 2079 214 189 PHE HB2 H 3.606 0.020 2 2080 214 189 PHE HB3 H 3.323 0.020 2 2081 214 189 PHE HD1 H 7.256 0.020 1 2082 214 189 PHE HD2 H 7.256 0.020 1 2083 214 189 PHE C C 178.195 0.300 1 2084 214 189 PHE CA C 61.576 0.300 1 2085 214 189 PHE CB C 39.614 0.300 1 2086 214 189 PHE CD1 C 132.496 0.300 1 2087 214 189 PHE CD2 C 132.496 0.300 1 2088 214 189 PHE N N 123.428 0.300 1 2089 215 190 LEU H H 8.444 0.020 1 2090 215 190 LEU HA H 3.683 0.020 1 2091 215 190 LEU HB2 H 0.133 0.020 2 2092 215 190 LEU HB3 H 1.325 0.020 2 2093 215 190 LEU HG H 1.729 0.020 1 2094 215 190 LEU HD1 H 0.544 0.020 2 2095 215 190 LEU HD2 H 0.351 0.020 2 2096 215 190 LEU C C 179.981 0.300 1 2097 215 190 LEU CA C 57.697 0.300 1 2098 215 190 LEU CB C 40.784 0.300 1 2099 215 190 LEU CG C 26.640 0.300 1 2100 215 190 LEU CD1 C 22.825 0.300 1 2101 215 190 LEU CD2 C 26.432 0.300 1 2102 215 190 LEU N N 119.958 0.300 1 2103 216 191 GLN H H 8.502 0.020 1 2104 216 191 GLN HA H 3.771 0.020 1 2105 216 191 GLN HB2 H 2.080 0.020 2 2106 216 191 GLN HB3 H 2.041 0.020 2 2107 216 191 GLN HG2 H 2.130 0.020 2 2108 216 191 GLN HG3 H 2.309 0.020 2 2109 216 191 GLN HE21 H 6.923 0.020 1 2110 216 191 GLN HE22 H 7.602 0.020 1 2111 216 191 GLN C C 179.051 0.300 1 2112 216 191 GLN CA C 59.225 0.300 1 2113 216 191 GLN CB C 29.684 0.300 1 2114 216 191 GLN CG C 34.450 0.300 1 2115 216 191 GLN N N 121.480 0.300 1 2116 216 191 GLN NE2 N 111.970 0.300 1 2117 217 192 ASN H H 8.044 0.020 1 2118 217 192 ASN HA H 4.327 0.020 1 2119 217 192 ASN HB2 H 2.745 0.020 2 2120 217 192 ASN HB3 H 2.681 0.020 2 2121 217 192 ASN HD21 H 7.447 0.020 1 2122 217 192 ASN HD22 H 7.858 0.020 1 2123 217 192 ASN C C 177.562 0.300 1 2124 217 192 ASN CA C 55.639 0.300 1 2125 217 192 ASN CB C 38.444 0.300 1 2126 217 192 ASN N N 116.472 0.300 1 2127 217 192 ASN ND2 N 110.004 0.300 1 2128 218 193 LEU H H 7.589 0.020 1 2129 218 193 LEU HA H 3.842 0.020 1 2130 218 193 LEU HB2 H 1.688 0.020 2 2131 218 193 LEU HB3 H 1.578 0.020 2 2132 218 193 LEU HG H 1.590 0.020 1 2133 218 193 LEU HD1 H 0.721 0.020 2 2134 218 193 LEU HD2 H 0.756 0.020 2 2135 218 193 LEU C C 177.414 0.300 1 2136 218 193 LEU CA C 56.948 0.300 1 2137 218 193 LEU CB C 42.894 0.300 1 2138 218 193 LEU CG C 25.535 0.300 1 2139 218 193 LEU CD1 C 23.701 0.300 1 2140 218 193 LEU CD2 C 25.081 0.300 1 2141 218 193 LEU N N 121.399 0.300 1 2142 219 194 ALA H H 6.789 0.020 1 2143 219 194 ALA HA H 3.891 0.020 1 2144 219 194 ALA HB H 1.308 0.020 1 2145 219 194 ALA C C 176.409 0.300 1 2146 219 194 ALA CA C 52.398 0.300 1 2147 219 194 ALA CB C 18.638 0.300 1 2148 219 194 ALA N N 117.806 0.300 1 2149 220 195 LYS H H 6.981 0.020 1 2150 220 195 LYS HA H 3.850 0.020 1 2151 220 195 LYS HB2 H 1.729 0.020 1 2152 220 195 LYS HB3 H 1.729 0.020 1 2153 220 195 LYS HG2 H 1.379 0.020 2 2154 220 195 LYS HG3 H 1.502 0.020 2 2155 220 195 LYS HD2 H 1.633 0.020 2 2156 220 195 LYS HD3 H 1.690 0.020 2 2157 220 195 LYS HE2 H 2.687 0.020 1 2158 220 195 LYS HE3 H 2.687 0.020 1 2159 220 195 LYS C C 181.693 0.300 1 2160 220 195 LYS CA C 59.003 0.300 1 2161 220 195 LYS CB C 33.042 0.300 1 2162 220 195 LYS CG C 24.996 0.300 1 2163 220 195 LYS CD C 29.132 0.300 1 2164 220 195 LYS CE C 41.994 0.300 1 2165 220 195 LYS N N 123.697 0.300 1 stop_ save_