data_12009 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of the N-terminal ubiquitin C-terminal hydrolase domain of UCH37 ; _BMRB_accession_number 12009 _BMRB_flat_file_name bmr12009.str _Entry_type original _Submission_date 2017-02-07 _Accession_date 2017-03-07 _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 Lee Yun-Tzai . . 2 Chang Chia-Yun . . 3 Hsu 'Shang-Te Danny' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 220 "13C chemical shifts" 576 "15N chemical shifts" 220 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-12-11 original BMRB . stop_ _Original_release_date 2017-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Entropic stabilization of a deubiquitinase provides conformational plasticity and slow unfolding kinetics beneficial for functioning on the proteasome. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28338014 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Yun-Tzai Cloud . 2 Chang Chia-Yun . . 3 Chen Szu-Yu . . 4 Pan Yun-Ru . . 5 Ho Meng-Ru . . 6 Hsu Shang-Te Danny . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 7 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 45174 _Page_last 45174 _Year 2017 _Details . loop_ _Keyword 'Knotted protein' 'Protein folding' 'Ubiquitin C-terminal hydrolyase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name UCHL5N240 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UCHL5N240 $UCHL5N240 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'ubiquitin C-terminal hydrolase' stop_ _Database_query_date . _Details 'Human ubiquitin C-terminal hydrolase, UCH-L5' save_ ######################## # Monomeric polymers # ######################## save_UCHL5N240 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UCHL5N240 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Ubiquitin C-terminal hydrolyase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 245 _Mol_residue_sequence ; GPLGSMTGNAGEWCLMESDP GVFTELIKGFGCRGAQVEEI WSLEPENFEKLKPVHGLIFL FKWQPGEEPAGSVVQDSRLD TIFFAKQVINNACATQAIVS VLLNCTHQDVHLGETLSEFK EFSQSFDAAMKGLALSNSDV IRQVHNSFARQQMFEFDTKT SAKEEDAFHFVSYVPVNGRL YELDGLREGPIDLGACNQDD WISAVRPVIEKRIQKYSEGE IRFNLMAIVSDRKMIYEQKI AELQR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . PRO 3 . LEU 4 . GLY 5 . SER 6 1 MET 7 2 THR 8 3 GLY 9 4 ASN 10 5 ALA 11 6 GLY 12 7 GLU 13 8 TRP 14 9 CYS 15 10 LEU 16 11 MET 17 12 GLU 18 13 SER 19 14 ASP 20 15 PRO 21 16 GLY 22 17 VAL 23 18 PHE 24 19 THR 25 20 GLU 26 21 LEU 27 22 ILE 28 23 LYS 29 24 GLY 30 25 PHE 31 26 GLY 32 27 CYS 33 28 ARG 34 29 GLY 35 30 ALA 36 31 GLN 37 32 VAL 38 33 GLU 39 34 GLU 40 35 ILE 41 36 TRP 42 37 SER 43 38 LEU 44 39 GLU 45 40 PRO 46 41 GLU 47 42 ASN 48 43 PHE 49 44 GLU 50 45 LYS 51 46 LEU 52 47 LYS 53 48 PRO 54 49 VAL 55 50 HIS 56 51 GLY 57 52 LEU 58 53 ILE 59 54 PHE 60 55 LEU 61 56 PHE 62 57 LYS 63 58 TRP 64 59 GLN 65 60 PRO 66 61 GLY 67 62 GLU 68 63 GLU 69 64 PRO 70 65 ALA 71 66 GLY 72 67 SER 73 68 VAL 74 69 VAL 75 70 GLN 76 71 ASP 77 72 SER 78 73 ARG 79 74 LEU 80 75 ASP 81 76 THR 82 77 ILE 83 78 PHE 84 79 PHE 85 80 ALA 86 81 LYS 87 82 GLN 88 83 VAL 89 84 ILE 90 85 ASN 91 86 ASN 92 87 ALA 93 88 CYS 94 89 ALA 95 90 THR 96 91 GLN 97 92 ALA 98 93 ILE 99 94 VAL 100 95 SER 101 96 VAL 102 97 LEU 103 98 LEU 104 99 ASN 105 100 CYS 106 101 THR 107 102 HIS 108 103 GLN 109 104 ASP 110 105 VAL 111 106 HIS 112 107 LEU 113 108 GLY 114 109 GLU 115 110 THR 116 111 LEU 117 112 SER 118 113 GLU 119 114 PHE 120 115 LYS 121 116 GLU 122 117 PHE 123 118 SER 124 119 GLN 125 120 SER 126 121 PHE 127 122 ASP 128 123 ALA 129 124 ALA 130 125 MET 131 126 LYS 132 127 GLY 133 128 LEU 134 129 ALA 135 130 LEU 136 131 SER 137 132 ASN 138 133 SER 139 134 ASP 140 135 VAL 141 136 ILE 142 137 ARG 143 138 GLN 144 139 VAL 145 140 HIS 146 141 ASN 147 142 SER 148 143 PHE 149 144 ALA 150 145 ARG 151 146 GLN 152 147 GLN 153 148 MET 154 149 PHE 155 150 GLU 156 151 PHE 157 152 ASP 158 153 THR 159 154 LYS 160 155 THR 161 156 SER 162 157 ALA 163 158 LYS 164 159 GLU 165 160 GLU 166 161 ASP 167 162 ALA 168 163 PHE 169 164 HIS 170 165 PHE 171 166 VAL 172 167 SER 173 168 TYR 174 169 VAL 175 170 PRO 176 171 VAL 177 172 ASN 178 173 GLY 179 174 ARG 180 175 LEU 181 176 TYR 182 177 GLU 183 178 LEU 184 179 ASP 185 180 GLY 186 181 LEU 187 182 ARG 188 183 GLU 189 184 GLY 190 185 PRO 191 186 ILE 192 187 ASP 193 188 LEU 194 189 GLY 195 190 ALA 196 191 CYS 197 192 ASN 198 193 GLN 199 194 ASP 200 195 ASP 201 196 TRP 202 197 ILE 203 198 SER 204 199 ALA 205 200 VAL 206 201 ARG 207 202 PRO 208 203 VAL 209 204 ILE 210 205 GLU 211 206 LYS 212 207 ARG 213 208 ILE 214 209 GLN 215 210 LYS 216 211 TYR 217 212 SER 218 213 GLU 219 214 GLY 220 215 GLU 221 216 ILE 222 217 ARG 223 218 PHE 224 219 ASN 225 220 LEU 226 221 MET 227 222 ALA 228 223 ILE 229 224 VAL 230 225 SER 231 226 ASP 232 227 ARG 233 228 LYS 234 229 MET 235 230 ILE 236 231 TYR 237 232 GLU 238 233 GLN 239 234 LYS 240 235 ILE 241 236 ALA 242 237 GLU 243 238 LEU 244 239 GLN 245 240 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UCHL5N240 Human 9606 Eukaryota Metazoa Homo sapiens 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 $UCHL5N240 'recombinant technology' . Escherichia coli 'BL21 DE3' pGEX-6P1 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 $UCHL5N240 0.5 mM '[U-98% 13C; U-98% 15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . 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 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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 7.6 . 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 water C 13 protons ppm 4.631 na indirect . . . 0.251449530 water H 1 protons ppm 4.631 internal direct . . . 1 water N 15 protons ppm 4.631 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HN(CO)CA' '3D HNCA' 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 UCHL5N240 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 7 THR C C 174.982 0.1 1 2 2 7 THR CA C 61.829 0.012 1 3 2 7 THR CB C 69.751 0.085 1 4 3 8 GLY H H 8.283 0.011 1 5 3 8 GLY CA C 45.482 0.1 1 6 3 8 GLY N N 110.719 0.040 1 7 4 9 ASN H H 8.820 0.01 1 8 4 9 ASN N N 119.857 0.05 1 9 6 11 GLY H H 8.177 0.01 1 10 6 11 GLY CA C 45.154 0.1 1 11 6 11 GLY N N 106.671 0.05 1 12 7 12 GLU H H 8.442 0.01 1 13 7 12 GLU C C 176.772 0.1 1 14 7 12 GLU CA C 57.169 0.102 1 15 7 12 GLU N N 113.623 0.05 1 16 8 13 TRP H H 8.509 0.011 1 17 8 13 TRP C C 176.285 0.1 1 18 8 13 TRP CA C 56.960 0.040 1 19 8 13 TRP CB C 29.020 0.1 1 20 8 13 TRP N N 120.903 0.054 1 21 9 14 CYS H H 9.266 0.004 1 22 9 14 CYS C C 173.872 0.1 1 23 9 14 CYS CA C 59.509 0.067 1 24 9 14 CYS CB C 29.491 0.045 1 25 9 14 CYS N N 123.754 0.025 1 26 10 15 LEU H H 8.496 0.008 1 27 10 15 LEU C C 173.754 0.1 1 28 10 15 LEU CA C 56.134 0.065 1 29 10 15 LEU CB C 42.685 0.074 1 30 10 15 LEU N N 124.307 0.035 1 31 11 16 MET H H 9.191 0.012 1 32 11 16 MET C C 175.845 0.1 1 33 11 16 MET CA C 54.259 0.048 1 34 11 16 MET CB C 35.932 0.054 1 35 11 16 MET N N 116.179 0.046 1 36 12 17 GLU H H 8.858 0.008 1 37 12 17 GLU C C 175.873 0.1 1 38 12 17 GLU CA C 56.633 0.571 1 39 12 17 GLU CB C 30.327 0.036 1 40 12 17 GLU N N 127.809 0.051 1 41 13 18 SER H H 8.345 0.004 1 42 13 18 SER CA C 57.676 0.158 1 43 13 18 SER CB C 62.278 0.049 1 44 13 18 SER N N 117.656 0.035 1 45 14 19 ASP H H 5.757 0.018 1 46 14 19 ASP N N 124.355 0.047 1 47 15 20 PRO C C 178.134 0.1 1 48 15 20 PRO CA C 65.485 0.075 1 49 15 20 PRO CB C 31.415 0.060 1 50 16 21 GLY H H 8.300 0.007 1 51 16 21 GLY C C 176.718 0.1 1 52 16 21 GLY CA C 47.259 0.014 1 53 16 21 GLY N N 111.143 0.027 1 54 17 22 VAL H H 7.719 0.004 1 55 17 22 VAL C C 178.071 0.1 1 56 17 22 VAL CA C 66.156 0.055 1 57 17 22 VAL CB C 31.327 0.116 1 58 17 22 VAL N N 125.044 0.047 1 59 18 23 PHE H H 8.146 0.003 1 60 18 23 PHE C C 177.823 0.1 1 61 18 23 PHE CA C 57.047 0.082 1 62 18 23 PHE CB C 37.250 0.030 1 63 18 23 PHE N N 116.736 0.029 1 64 19 24 THR H H 8.158 0.006 1 65 19 24 THR C C 175.667 0.1 1 66 19 24 THR CA C 68.909 0.018 1 67 19 24 THR CB C 68.765 0.1 1 68 19 24 THR N N 117.342 0.046 1 69 20 25 GLU H H 7.665 0.008 1 70 20 25 GLU C C 178.512 0.1 1 71 20 25 GLU CA C 59.066 0.051 1 72 20 25 GLU CB C 28.656 0.096 1 73 20 25 GLU N N 121.362 0.037 1 74 21 26 LEU H H 8.368 0.006 1 75 21 26 LEU C C 176.682 0.1 1 76 21 26 LEU CA C 58.041 0.088 1 77 21 26 LEU CB C 42.080 0.050 1 78 21 26 LEU N N 123.924 0.029 1 79 22 27 ILE H H 7.419 0.008 1 80 22 27 ILE C C 178.820 0.1 1 81 22 27 ILE CA C 66.609 0.070 1 82 22 27 ILE CB C 38.100 0.104 1 83 22 27 ILE N N 115.749 0.080 1 84 23 28 LYS H H 7.487 0.011 1 85 23 28 LYS N N 118.215 0.024 1 86 24 29 GLY H H 7.897 0.01 1 87 24 29 GLY CA C 45.239 0.014 1 88 24 29 GLY N N 106.558 0.05 1 89 25 30 PHE H H 7.870 0.002 1 90 25 30 PHE C C 176.809 0.1 1 91 25 30 PHE CA C 57.463 0.090 1 92 25 30 PHE CB C 38.998 0.010 1 93 25 30 PHE N N 117.667 0.059 1 94 26 31 GLY H H 8.400 0.007 1 95 26 31 GLY C C 173.216 0.1 1 96 26 31 GLY CA C 44.898 0.026 1 97 26 31 GLY N N 107.526 0.055 1 98 27 32 CYS H H 7.296 0.003 1 99 27 32 CYS C C 175.318 0.1 1 100 27 32 CYS CA C 57.221 0.014 1 101 27 32 CYS CB C 27.037 0.143 1 102 27 32 CYS N N 120.094 0.041 1 103 28 33 ARG H H 9.101 0.013 1 104 28 33 ARG C C 175.466 0.1 1 105 28 33 ARG CA C 54.716 0.024 1 106 28 33 ARG CB C 33.563 0.047 1 107 28 33 ARG N N 128.858 0.069 1 108 29 34 GLY H H 8.746 0.004 1 109 29 34 GLY CA C 45.540 0.046 1 110 29 34 GLY N N 108.913 0.005 1 111 30 35 ALA H H 8.062 0.011 1 112 30 35 ALA C C 175.562 0.1 1 113 30 35 ALA CA C 50.075 0.038 1 114 30 35 ALA CB C 22.013 0.082 1 115 30 35 ALA N N 121.376 0.006 1 116 31 36 GLN H H 9.199 0.006 1 117 31 36 GLN C C 172.393 0.1 1 118 31 36 GLN CA C 54.248 0.025 1 119 31 36 GLN N N 118.584 0.023 1 120 32 37 VAL H H 8.328 0.011 1 121 32 37 VAL C C 174.182 0.1 1 122 32 37 VAL CA C 61.273 0.079 1 123 32 37 VAL CB C 32.003 0.076 1 124 32 37 VAL N N 121.431 0.033 1 125 33 38 GLU H H 8.887 0.004 1 126 33 38 GLU C C 175.731 0.1 1 127 33 38 GLU CA C 54.032 0.085 1 128 33 38 GLU CB C 33.777 0.050 1 129 33 38 GLU N N 124.587 0.030 1 130 34 39 GLU H H 9.021 0.007 1 131 34 39 GLU C C 175.609 0.1 1 132 34 39 GLU CA C 57.078 0.048 1 133 34 39 GLU CB C 30.215 0.050 1 134 34 39 GLU N N 125.263 0.033 1 135 35 40 ILE H H 8.241 0.766 1 136 35 40 ILE C C 174.601 0.1 1 137 35 40 ILE CA C 57.365 0.100 1 138 35 40 ILE CB C 39.353 0.011 1 139 35 40 ILE N N 117.100 0.004 1 140 36 41 TRP H H 7.694 0.006 1 141 36 41 TRP C C 175.546 0.1 1 142 36 41 TRP CA C 57.591 0.141 1 143 36 41 TRP CB C 30.453 0.020 1 144 36 41 TRP N N 126.012 0.222 1 145 37 42 SER H H 7.380 0.004 1 146 37 42 SER C C 173.361 0.1 1 147 37 42 SER CA C 56.759 0.021 1 148 37 42 SER CB C 64.160 0.099 1 149 37 42 SER N N 112.859 0.045 1 150 38 43 LEU H H 8.772 0.009 1 151 38 43 LEU C C 175.481 0.1 1 152 38 43 LEU CA C 53.887 0.043 1 153 38 43 LEU CB C 41.111 0.083 1 154 38 43 LEU N N 123.351 0.031 1 155 39 44 GLU H H 7.872 0.008 1 156 39 44 GLU CA C 55.520 0.1 1 157 39 44 GLU N N 120.214 0.042 1 158 40 45 PRO C C 179.333 0.1 1 159 40 45 PRO CA C 65.976 0.051 1 160 40 45 PRO CB C 31.877 0.074 1 161 41 46 GLU H H 9.444 0.005 1 162 41 46 GLU C C 178.290 0.1 1 163 41 46 GLU CA C 59.679 0.061 1 164 41 46 GLU CB C 28.524 0.087 1 165 41 46 GLU N N 118.021 0.024 1 166 42 47 ASN H H 7.723 0.004 1 167 42 47 ASN C C 176.230 0.1 1 168 42 47 ASN CA C 55.166 0.026 1 169 42 47 ASN CB C 38.540 0.072 1 170 42 47 ASN N N 116.320 0.031 1 171 43 48 PHE H H 7.555 0.004 1 172 43 48 PHE C C 177.286 0.1 1 173 43 48 PHE CA C 59.943 0.017 1 174 43 48 PHE CB C 39.538 0.129 1 175 43 48 PHE N N 115.466 0.038 1 176 44 49 GLU H H 7.760 0.012 1 177 44 49 GLU C C 178.337 0.1 1 178 44 49 GLU CA C 59.715 0.123 1 179 44 49 GLU CB C 29.408 0.049 1 180 44 49 GLU N N 120.372 0.092 1 181 45 50 LYS H H 7.618 0.004 1 182 45 50 LYS CA C 57.133 0.029 1 183 45 50 LYS CB C 32.043 0.039 1 184 45 50 LYS N N 114.333 0.030 1 185 46 51 LEU H H 7.166 0.004 1 186 46 51 LEU C C 178.451 0.1 1 187 46 51 LEU CA C 59.145 0.061 1 188 46 51 LEU CB C 43.930 0.005 1 189 46 51 LEU N N 117.504 0.055 1 190 47 52 LYS H H 7.044 0.005 1 191 47 52 LYS CB C 31.973 0.1 1 192 47 52 LYS N N 120.552 0.140 1 193 48 53 PRO C C 173.494 0.1 1 194 48 53 PRO CA C 62.730 0.076 1 195 48 53 PRO CB C 32.179 0.1 1 196 49 54 VAL H H 8.602 0.011 1 197 49 54 VAL C C 175.186 0.1 1 198 49 54 VAL CA C 61.057 0.060 1 199 49 54 VAL CB C 32.148 0.057 1 200 49 54 VAL N N 121.988 0.053 1 201 50 55 HIS H H 9.159 0.004 1 202 50 55 HIS CA C 56.818 0.031 1 203 50 55 HIS CB C 32.069 0.022 1 204 50 55 HIS N N 127.310 0.045 1 205 51 56 GLY H H 7.861 0.006 1 206 51 56 GLY C C 171.230 0.1 1 207 51 56 GLY CA C 46.231 0.050 1 208 51 56 GLY N N 100.874 0.039 1 209 52 57 LEU H H 9.240 0.010 1 210 52 57 LEU C C 175.450 0.1 1 211 52 57 LEU CA C 53.657 0.030 1 212 52 57 LEU CB C 46.459 0.149 1 213 52 57 LEU N N 120.429 0.029 1 214 53 58 ILE H H 9.409 0.005 1 215 53 58 ILE C C 173.058 0.1 1 216 53 58 ILE CA C 59.786 0.101 1 217 53 58 ILE N N 119.036 0.035 1 218 54 59 PHE H H 9.543 0.010 1 219 54 59 PHE CA C 55.669 0.025 1 220 54 59 PHE N N 129.066 0.067 1 221 55 60 LEU H H 8.666 0.011 1 222 55 60 LEU C C 175.751 0.1 1 223 55 60 LEU CA C 53.132 0.031 1 224 55 60 LEU N N 126.640 0.046 1 225 56 61 PHE H H 8.430 0.007 1 226 56 61 PHE CA C 55.902 0.1 1 227 56 61 PHE N N 116.290 0.092 1 228 57 62 LYS CA C 57.433 0.1 1 229 57 62 LYS CB C 33.083 0.094 1 230 58 63 TRP H H 8.474 0.002 1 231 58 63 TRP N N 122.673 0.028 1 232 60 65 PRO C C 177.484 0.1 1 233 60 65 PRO CA C 62.661 0.055 1 234 60 65 PRO CB C 31.560 0.071 1 235 61 66 GLY H H 8.267 0.007 1 236 61 66 GLY C C 173.499 0.1 1 237 61 66 GLY CA C 45.132 0.051 1 238 61 66 GLY N N 108.006 0.066 1 239 62 67 GLU H H 8.011 0.005 1 240 62 67 GLU C C 176.461 0.1 1 241 62 67 GLU CA C 56.458 0.073 1 242 62 67 GLU CB C 30.755 0.066 1 243 62 67 GLU N N 119.585 0.037 1 244 63 68 GLU H H 8.827 0.010 1 245 63 68 GLU CA C 56.925 0.1 1 246 63 68 GLU CB C 28.890 0.1 1 247 63 68 GLU N N 125.568 0.052 1 248 64 69 PRO CA C 53.092 0.1 1 249 64 69 PRO CB C 39.133 0.048 1 250 65 70 ALA H H 8.281 0.002 1 251 65 70 ALA C C 177.979 0.1 1 252 65 70 ALA CA C 53.028 0.006 1 253 65 70 ALA CB C 19.083 0.079 1 254 65 70 ALA N N 124.409 0.036 1 255 66 71 GLY H H 8.175 0.005 1 256 66 71 GLY C C 172.728 0.1 1 257 66 71 GLY CA C 44.674 0.066 1 258 66 71 GLY N N 106.752 0.111 1 259 67 72 SER H H 8.067 0.003 1 260 67 72 SER C C 178.081 0.1 1 261 67 72 SER CA C 57.737 0.140 1 262 67 72 SER CB C 64.213 0.034 1 263 67 72 SER N N 115.325 0.027 1 264 68 73 VAL H H 8.078 0.239 1 265 68 73 VAL C C 177.618 0.1 1 266 68 73 VAL CA C 65.648 0.087 1 267 68 73 VAL CB C 31.862 0.1 1 268 68 73 VAL N N 119.155 3.541 1 269 69 74 VAL H H 7.379 0.083 1 270 69 74 VAL C C 175.428 0.1 1 271 69 74 VAL CA C 63.395 0.103 1 272 69 74 VAL CB C 32.032 0.136 1 273 69 74 VAL N N 119.638 0.788 1 274 70 75 GLN H H 8.751 0.014 1 275 70 75 GLN CA C 54.933 0.030 1 276 70 75 GLN CB C 30.587 0.003 1 277 70 75 GLN N N 125.043 0.026 1 278 71 76 ASP H H 7.215 0.016 1 279 71 76 ASP C C 174.961 0.1 1 280 71 76 ASP CA C 53.113 0.053 1 281 71 76 ASP CB C 41.787 0.1 1 282 71 76 ASP N N 119.924 0.047 1 283 72 77 SER H H 8.292 0.007 1 284 72 77 SER C C 176.214 0.1 1 285 72 77 SER CA C 60.703 0.011 1 286 72 77 SER CB C 63.026 0.003 1 287 72 77 SER N N 124.379 0.041 1 288 73 78 ARG H H 8.486 0.004 1 289 73 78 ARG C C 178.421 0.1 1 290 73 78 ARG CA C 58.435 0.040 1 291 73 78 ARG CB C 30.649 0.042 1 292 73 78 ARG N N 123.282 0.028 1 293 74 79 LEU H H 8.135 0.006 1 294 74 79 LEU C C 177.490 0.1 1 295 74 79 LEU CA C 56.613 0.021 1 296 74 79 LEU CB C 41.419 0.061 1 297 74 79 LEU N N 118.860 0.041 1 298 75 80 ASP H H 7.743 0.004 1 299 75 80 ASP C C 177.098 0.1 1 300 75 80 ASP CA C 55.887 0.083 1 301 75 80 ASP CB C 40.659 0.133 1 302 75 80 ASP N N 117.081 0.033 1 303 76 81 THR H H 7.570 0.005 1 304 76 81 THR C C 173.912 0.1 1 305 76 81 THR CA C 62.023 0.061 1 306 76 81 THR CB C 69.941 0.038 1 307 76 81 THR N N 108.387 0.029 1 308 77 82 ILE H H 7.365 0.004 1 309 77 82 ILE C C 175.226 0.1 1 310 77 82 ILE CA C 60.288 0.056 1 311 77 82 ILE CB C 40.158 0.199 1 312 77 82 ILE N N 122.514 0.032 1 313 78 83 PHE H H 9.661 0.005 1 314 78 83 PHE C C 173.536 0.1 1 315 78 83 PHE CA C 60.084 0.115 1 316 78 83 PHE CB C 38.115 0.109 1 317 78 83 PHE N N 129.971 0.043 1 318 79 84 PHE H H 6.800 0.004 1 319 79 84 PHE C C 170.665 0.1 1 320 79 84 PHE CA C 57.294 0.054 1 321 79 84 PHE CB C 41.256 0.127 1 322 79 84 PHE N N 127.337 0.047 1 323 80 85 ALA H H 7.843 0.014 1 324 80 85 ALA CA C 48.633 0.055 1 325 80 85 ALA CB C 21.602 0.021 1 326 80 85 ALA N N 129.047 0.067 1 327 81 86 LYS H H 6.860 0.005 1 328 81 86 LYS C C 176.725 0.1 1 329 81 86 LYS CA C 55.474 0.009 1 330 81 86 LYS N N 119.888 0.100 1 331 82 87 GLN H H 7.972 0.005 1 332 82 87 GLN C C 175.018 0.1 1 333 82 87 GLN CA C 56.445 0.080 1 334 82 87 GLN CB C 28.933 0.1 1 335 82 87 GLN N N 119.806 0.042 1 336 83 88 VAL H H 8.452 0.007 1 337 83 88 VAL C C 176.824 0.1 1 338 83 88 VAL CA C 63.058 0.033 1 339 83 88 VAL N N 125.740 0.035 1 340 84 89 ILE H H 8.317 0.002 1 341 84 89 ILE C C 181.866 0.1 1 342 84 89 ILE CA C 59.412 0.106 1 343 84 89 ILE N N 122.767 0.045 1 344 85 90 ASN H H 8.705 0.006 1 345 85 90 ASN C C 174.834 0.1 1 346 85 90 ASN CA C 46.981 0.086 1 347 85 90 ASN N N 113.360 0.048 1 348 86 91 ASN H H 8.614 0.011 1 349 86 91 ASN CA C 53.225 0.1 1 350 86 91 ASN N N 127.309 0.111 1 351 87 92 ALA H H 8.116 0.003 1 352 87 92 ALA C C 178.734 0.1 1 353 87 92 ALA CA C 55.705 0.041 1 354 87 92 ALA N N 120.362 0.045 1 355 88 93 CYS H H 6.750 0.005 1 356 88 93 CYS C C 174.717 0.1 1 357 88 93 CYS N N 115.221 0.036 1 358 89 94 ALA H H 8.849 0.025 1 359 89 94 ALA C C 178.620 0.1 1 360 89 94 ALA CA C 55.507 0.1 1 361 89 94 ALA CB C 18.883 0.1 1 362 89 94 ALA N N 119.839 0.102 1 363 90 95 THR H H 8.450 0.003 1 364 90 95 THR C C 176.133 0.1 1 365 90 95 THR N N 113.698 0.039 1 366 91 96 GLN H H 8.483 0.010 1 367 91 96 GLN C C 178.509 0.1 1 368 91 96 GLN CA C 60.290 0.032 1 369 91 96 GLN CB C 27.006 0.097 1 370 91 96 GLN N N 120.552 0.040 1 371 92 97 ALA H H 8.279 0.011 1 372 92 97 ALA C C 180.108 0.1 1 373 92 97 ALA CA C 55.236 0.006 1 374 92 97 ALA CB C 18.480 0.203 1 375 92 97 ALA N N 125.238 0.030 1 376 93 98 ILE H H 7.948 0.009 1 377 93 98 ILE C C 178.751 0.1 1 378 93 98 ILE CA C 65.963 0.027 1 379 93 98 ILE CB C 38.363 0.1 1 380 93 98 ILE N N 119.041 0.074 1 381 94 99 VAL H H 8.984 0.014 1 382 94 99 VAL C C 176.691 0.1 1 383 94 99 VAL CA C 66.868 0.151 1 384 94 99 VAL CB C 30.855 0.1 1 385 94 99 VAL N N 119.166 0.029 1 386 95 100 SER H H 7.930 0.016 1 387 95 100 SER C C 174.603 0.1 1 388 95 100 SER CA C 63.165 0.048 1 389 95 100 SER CB C 62.613 0.1 1 390 95 100 SER N N 114.586 0.059 1 391 96 101 VAL H H 7.176 0.017 1 392 96 101 VAL CB C 33.805 0.1 1 393 96 101 VAL N N 119.040 0.098 1 394 97 102 LEU H H 7.946 0.01 1 395 97 102 LEU CA C 58.185 0.1 1 396 97 102 LEU N N 120.330 0.05 1 397 98 103 LEU C C 175.035 0.1 1 398 98 103 LEU CA C 59.533 0.038 1 399 99 104 ASN H H 8.824 0.020 1 400 99 104 ASN C C 173.426 0.1 1 401 99 104 ASN CA C 53.516 0.041 1 402 99 104 ASN CB C 41.382 0.042 1 403 99 104 ASN N N 127.494 0.036 1 404 100 105 CYS H H 7.446 0.004 1 405 100 105 CYS C C 174.867 0.1 1 406 100 105 CYS CA C 59.884 0.012 1 407 100 105 CYS CB C 28.123 0.090 1 408 100 105 CYS N N 121.721 0.071 1 409 101 106 THR H H 8.964 0.015 1 410 101 106 THR C C 173.845 0.1 1 411 101 106 THR CA C 60.683 0.038 1 412 101 106 THR CB C 69.194 0.154 1 413 101 106 THR N N 119.810 0.067 1 414 102 107 HIS H H 8.018 0.007 1 415 102 107 HIS C C 176.802 0.1 1 416 102 107 HIS CA C 59.183 0.033 1 417 102 107 HIS CB C 33.034 0.074 1 418 102 107 HIS N N 126.429 0.042 1 419 103 108 GLN H H 8.317 0.008 1 420 103 108 GLN CA C 58.135 0.063 1 421 103 108 GLN CB C 28.395 0.008 1 422 103 108 GLN N N 126.242 0.048 1 423 104 109 ASP H H 10.977 0.004 1 424 104 109 ASP C C 176.293 0.1 1 425 104 109 ASP CA C 56.306 0.073 1 426 104 109 ASP CB C 40.932 0.072 1 427 104 109 ASP N N 123.067 0.031 1 428 105 110 VAL H H 7.382 0.004 1 429 105 110 VAL C C 174.382 0.1 1 430 105 110 VAL CA C 62.256 0.052 1 431 105 110 VAL CB C 32.317 0.041 1 432 105 110 VAL N N 117.853 0.044 1 433 106 111 HIS H H 8.799 0.021 1 434 106 111 HIS C C 175.180 0.1 1 435 106 111 HIS CA C 54.047 0.081 1 436 106 111 HIS CB C 31.127 0.094 1 437 106 111 HIS N N 128.168 0.228 1 438 107 112 LEU H H 8.731 0.004 1 439 107 112 LEU CA C 58.230 0.048 1 440 107 112 LEU CB C 42.861 0.116 1 441 107 112 LEU N N 126.593 0.050 1 442 108 113 GLY H H 7.693 0.007 1 443 108 113 GLY C C 175.349 0.1 1 444 108 113 GLY CA C 44.052 0.019 1 445 108 113 GLY N N 102.042 0.032 1 446 109 114 GLU H H 8.707 0.006 1 447 109 114 GLU C C 178.196 0.1 1 448 109 114 GLU CA C 60.716 0.007 1 449 109 114 GLU CB C 30.068 0.034 1 450 109 114 GLU N N 119.694 0.034 1 451 110 115 THR H H 8.281 0.004 1 452 110 115 THR C C 177.710 0.1 1 453 110 115 THR CA C 67.067 0.031 1 454 110 115 THR CB C 68.652 0.094 1 455 110 115 THR N N 117.711 0.042 1 456 111 116 LEU H H 9.818 0.020 1 457 111 116 LEU C C 178.827 0.1 1 458 111 116 LEU CA C 57.150 0.034 1 459 111 116 LEU CB C 40.591 0.081 1 460 111 116 LEU N N 121.030 0.055 1 461 112 117 SER H H 7.939 0.012 1 462 112 117 SER C C 180.241 0.1 1 463 112 117 SER CA C 63.115 0.049 1 464 112 117 SER N N 115.849 0.064 1 465 113 118 GLU H H 7.459 0.003 1 466 113 118 GLU CA C 56.213 0.1 1 467 113 118 GLU CB C 32.422 0.060 1 468 113 118 GLU N N 111.344 0.034 1 469 114 119 PHE H H 7.754 0.018 1 470 114 119 PHE CA C 61.871 0.1 1 471 114 119 PHE CB C 38.351 0.050 1 472 114 119 PHE N N 120.001 0.049 1 473 115 120 LYS H H 8.053 0.020 1 474 115 120 LYS N N 122.762 0.062 1 475 116 121 GLU C C 178.848 0.1 1 476 116 121 GLU CA C 59.130 0.024 1 477 116 121 GLU CB C 29.587 0.016 1 478 117 122 PHE H H 8.382 0.006 1 479 117 122 PHE C C 176.566 0.1 1 480 117 122 PHE CA C 59.576 0.058 1 481 117 122 PHE CB C 39.478 0.139 1 482 117 122 PHE N N 119.176 0.044 1 483 118 123 SER H H 7.438 0.005 1 484 118 123 SER C C 176.028 0.1 1 485 118 123 SER CA C 57.572 0.070 1 486 118 123 SER CB C 64.999 0.019 1 487 118 123 SER N N 108.456 0.029 1 488 119 124 GLN H H 6.949 0.006 1 489 119 124 GLN C C 176.896 0.1 1 490 119 124 GLN CA C 59.686 0.076 1 491 119 124 GLN CB C 28.316 0.102 1 492 119 124 GLN N N 122.685 0.061 1 493 120 125 SER H H 8.244 0.011 1 494 120 125 SER C C 174.537 0.1 1 495 120 125 SER CA C 58.890 0.037 1 496 120 125 SER CB C 63.512 0.018 1 497 120 125 SER N N 112.061 0.032 1 498 121 126 PHE H H 7.389 0.004 1 499 121 126 PHE C C 176.714 0.1 1 500 121 126 PHE CA C 53.699 0.135 1 501 121 126 PHE CB C 38.543 0.067 1 502 121 126 PHE N N 121.722 0.026 1 503 122 127 ASP H H 8.314 0.006 1 504 122 127 ASP C C 175.611 0.1 1 505 122 127 ASP CA C 53.107 0.023 1 506 122 127 ASP CB C 40.389 0.082 1 507 122 127 ASP N N 120.911 0.058 1 508 123 128 ALA H H 8.534 0.005 1 509 123 128 ALA C C 181.413 0.1 1 510 123 128 ALA CA C 55.924 0.032 1 511 123 128 ALA CB C 19.696 0.047 1 512 123 128 ALA N N 120.018 0.035 1 513 124 129 ALA H H 8.362 0.004 1 514 124 129 ALA C C 180.008 0.1 1 515 124 129 ALA CA C 55.344 0.021 1 516 124 129 ALA CB C 17.837 0.076 1 517 124 129 ALA N N 122.748 0.049 1 518 125 130 MET H H 8.681 0.005 1 519 125 130 MET C C 179.795 0.1 1 520 125 130 MET CA C 57.487 0.052 1 521 125 130 MET CB C 31.593 0.131 1 522 125 130 MET N N 120.134 0.043 1 523 126 131 LYS H H 9.510 0.007 1 524 126 131 LYS CA C 62.248 0.067 1 525 126 131 LYS CB C 34.191 0.088 1 526 126 131 LYS N N 121.880 0.049 1 527 127 132 GLY H H 7.735 0.010 1 528 127 132 GLY C C 177.267 0.1 1 529 127 132 GLY CA C 47.912 0.021 1 530 127 132 GLY N N 105.107 0.039 1 531 128 133 LEU H H 8.289 0.004 1 532 128 133 LEU C C 178.811 0.1 1 533 128 133 LEU CA C 57.791 0.035 1 534 128 133 LEU CB C 41.959 0.039 1 535 128 133 LEU N N 125.798 0.032 1 536 129 134 ALA H H 8.899 0.012 1 537 129 134 ALA C C 180.590 0.1 1 538 129 134 ALA CA C 55.207 0.027 1 539 129 134 ALA CB C 17.788 0.097 1 540 129 134 ALA N N 122.205 0.028 1 541 130 135 LEU H H 8.205 0.008 1 542 130 135 LEU C C 178.084 0.1 1 543 130 135 LEU CA C 58.896 0.028 1 544 130 135 LEU CB C 41.481 0.094 1 545 130 135 LEU N N 119.338 0.054 1 546 131 136 SER H H 7.623 0.008 1 547 131 136 SER C C 174.817 0.1 1 548 131 136 SER CA C 61.529 0.080 1 549 131 136 SER CB C 63.056 0.065 1 550 131 136 SER N N 111.653 0.056 1 551 132 137 ASN H H 7.843 0.004 1 552 132 137 ASN C C 174.642 0.1 1 553 132 137 ASN CA C 52.812 0.009 1 554 132 137 ASN CB C 39.444 0.069 1 555 132 137 ASN N N 117.566 0.049 1 556 133 138 SER H H 7.479 0.006 1 557 133 138 SER C C 175.432 0.1 1 558 133 138 SER CA C 57.731 0.004 1 559 133 138 SER CB C 62.022 0.1 1 560 133 138 SER N N 116.658 0.051 1 561 134 139 ASP H H 8.209 0.002 1 562 134 139 ASP C C 176.434 0.1 1 563 134 139 ASP CA C 54.440 0.008 1 564 134 139 ASP CB C 41.014 0.1 1 565 134 139 ASP N N 121.180 0.032 1 566 135 140 VAL H H 8.005 0.005 1 567 135 140 VAL CA C 63.923 1.639 1 568 135 140 VAL CB C 31.652 0.1 1 569 135 140 VAL N N 114.023 0.027 1 570 136 141 ILE H H 7.329 0.001 1 571 136 141 ILE C C 177.055 0.1 1 572 136 141 ILE N N 119.951 0.006 1 573 137 142 ARG H H 7.962 0.009 1 574 137 142 ARG CA C 59.078 0.1 1 575 137 142 ARG CB C 30.849 0.086 1 576 137 142 ARG N N 120.429 0.038 1 577 138 143 GLN H H 7.943 0.032 1 578 138 143 GLN C C 179.545 0.1 1 579 138 143 GLN CA C 59.144 0.023 1 580 138 143 GLN CB C 28.163 0.073 1 581 138 143 GLN N N 115.648 0.069 1 582 139 144 VAL H H 7.649 0.007 1 583 139 144 VAL C C 178.543 0.1 1 584 139 144 VAL CA C 66.955 0.017 1 585 139 144 VAL CB C 31.411 0.002 1 586 139 144 VAL N N 121.087 0.033 1 587 140 145 HIS H H 8.269 0.035 1 588 140 145 HIS C C 177.703 0.1 1 589 140 145 HIS CA C 61.132 0.085 1 590 140 145 HIS CB C 32.002 0.1 1 591 140 145 HIS N N 120.771 0.277 1 592 141 146 ASN H H 8.913 0.006 1 593 141 146 ASN C C 177.964 0.1 1 594 141 146 ASN CA C 55.145 0.040 1 595 141 146 ASN CB C 37.043 0.141 1 596 141 146 ASN N N 115.456 0.031 1 597 142 147 SER H H 7.960 0.006 1 598 142 147 SER C C 175.126 0.1 1 599 142 147 SER CA C 61.466 0.003 1 600 142 147 SER CB C 62.308 0.049 1 601 142 147 SER N N 117.477 0.045 1 602 143 148 PHE H H 7.376 0.004 1 603 143 148 PHE C C 175.465 0.1 1 604 143 148 PHE CA C 59.957 0.101 1 605 143 148 PHE CB C 39.673 0.089 1 606 143 148 PHE N N 119.137 0.039 1 607 144 149 ALA H H 7.682 0.007 1 608 144 149 ALA C C 177.531 0.1 1 609 144 149 ALA CA C 53.159 0.008 1 610 144 149 ALA CB C 19.711 0.103 1 611 144 149 ALA N N 123.338 0.057 1 612 145 150 ARG H H 8.293 0.008 1 613 145 150 ARG CA C 57.187 0.184 1 614 145 150 ARG CB C 30.397 0.1 1 615 145 150 ARG N N 118.679 0.051 1 616 146 151 GLN H H 8.327 0.01 1 617 146 151 GLN N N 120.730 0.001 1 618 147 152 GLN C C 177.048 0.1 1 619 147 152 GLN CA C 59.188 0.1 1 620 147 152 GLN CB C 32.063 0.1 1 621 148 153 MET H H 8.324 0.008 1 622 148 153 MET C C 175.515 0.1 1 623 148 153 MET CA C 53.938 0.060 1 624 148 153 MET CB C 32.026 0.1 1 625 148 153 MET N N 120.729 0.069 1 626 149 154 PHE H H 8.985 0.005 1 627 149 154 PHE CA C 63.087 0.1 1 628 149 154 PHE N N 125.834 0.043 1 629 150 155 GLU H H 8.111 0.003 1 630 150 155 GLU CA C 55.633 0.1 1 631 150 155 GLU CB C 32.865 0.012 1 632 150 155 GLU N N 120.405 0.013 1 633 151 156 PHE H H 8.063 0.001 1 634 151 156 PHE CA C 57.623 0.123 1 635 151 156 PHE CB C 39.512 0.036 1 636 151 156 PHE N N 120.258 0.030 1 637 152 157 ASP H H 8.206 0.009 1 638 152 157 ASP CA C 54.359 0.1 1 639 152 157 ASP CB C 41.278 0.042 1 640 152 157 ASP N N 121.203 0.059 1 641 153 158 THR H H 7.995 0.001 1 642 153 158 THR C C 176.014 0.1 1 643 153 158 THR CA C 61.625 0.383 1 644 153 158 THR CB C 69.452 0.021 1 645 153 158 THR N N 114.035 0.034 1 646 154 159 LYS H H 8.168 0.080 1 647 154 159 LYS C C 176.609 0.1 1 648 154 159 LYS CA C 56.345 0.001 1 649 154 159 LYS CB C 32.493 0.1 1 650 154 159 LYS N N 123.030 0.306 1 651 155 160 THR H H 7.773 0.008 1 652 155 160 THR C C 174.545 0.1 1 653 155 160 THR CA C 61.957 0.061 1 654 155 160 THR CB C 69.739 0.128 1 655 155 160 THR N N 120.000 0.062 1 656 156 161 SER H H 8.150 0.007 1 657 156 161 SER C C 174.054 0.1 1 658 156 161 SER CA C 58.308 0.050 1 659 156 161 SER CB C 63.963 0.075 1 660 156 161 SER N N 117.718 0.063 1 661 157 162 ALA H H 8.236 0.013 1 662 157 162 ALA C C 177.000 0.1 1 663 157 162 ALA CA C 52.546 0.024 1 664 157 162 ALA CB C 19.169 0.091 1 665 157 162 ALA N N 125.787 0.044 1 666 158 163 LYS H H 8.192 0.007 1 667 158 163 LYS CA C 56.049 0.098 1 668 158 163 LYS CB C 33.025 0.1 1 669 158 163 LYS N N 120.422 0.050 1 670 159 164 GLU H H 7.871 0.016 1 671 159 164 GLU N N 117.953 0.055 1 672 160 165 GLU H H 8.436 0.01 1 673 160 165 GLU CA C 56.717 0.122 1 674 160 165 GLU CB C 30.205 0.045 1 675 160 165 GLU N N 121.072 0.05 1 676 161 166 ASP H H 8.099 0.012 1 677 161 166 ASP C C 175.187 0.1 1 678 161 166 ASP CA C 54.254 0.032 1 679 161 166 ASP CB C 41.341 0.055 1 680 161 166 ASP N N 121.488 0.048 1 681 162 167 ALA H H 7.899 0.010 1 682 162 167 ALA C C 176.677 0.1 1 683 162 167 ALA CA C 51.880 0.129 1 684 162 167 ALA CB C 17.117 0.1 1 685 162 167 ALA N N 123.538 0.030 1 686 163 168 PHE H H 7.423 0.008 1 687 163 168 PHE C C 176.135 0.1 1 688 163 168 PHE CA C 58.648 0.001 1 689 163 168 PHE N N 118.336 0.079 1 690 164 169 HIS H H 8.153 0.008 1 691 164 169 HIS C C 175.772 0.1 1 692 164 169 HIS CA C 56.113 0.632 1 693 164 169 HIS CB C 30.047 0.031 1 694 164 169 HIS N N 121.277 0.044 1 695 165 170 PHE H H 8.203 0.194 1 696 165 170 PHE C C 173.736 0.1 1 697 165 170 PHE CA C 57.727 0.042 1 698 165 170 PHE CB C 41.857 0.1 1 699 165 170 PHE N N 120.454 0.296 1 700 166 171 VAL H H 8.417 0.003 1 701 166 171 VAL C C 174.907 0.1 1 702 166 171 VAL CA C 62.317 0.024 1 703 166 171 VAL CB C 32.364 0.1 1 704 166 171 VAL N N 124.145 0.038 1 705 167 172 SER H H 8.255 0.011 1 706 167 172 SER CA C 58.664 0.1 1 707 167 172 SER CB C 65.725 0.1 1 708 167 172 SER N N 122.718 0.066 1 709 168 173 TYR H H 9.387 0.001 1 710 168 173 TYR CA C 56.923 0.1 1 711 168 173 TYR CB C 41.572 0.129 1 712 168 173 TYR N N 121.686 0.041 1 713 169 174 VAL H H 8.706 0.01 1 714 169 174 VAL N N 117.110 0.004 1 715 170 175 PRO C C 176.750 0.1 1 716 170 175 PRO CA C 60.307 0.057 1 717 170 175 PRO CB C 31.346 0.019 1 718 171 176 VAL H H 9.385 0.006 1 719 171 176 VAL C C 176.361 0.1 1 720 171 176 VAL CA C 62.187 0.074 1 721 171 176 VAL CB C 34.971 0.015 1 722 171 176 VAL N N 123.390 0.026 1 723 172 177 ASN H H 9.501 0.009 1 724 172 177 ASN CA C 53.929 0.052 1 725 172 177 ASN CB C 37.674 0.130 1 726 172 177 ASN N N 127.842 0.072 1 727 173 178 GLY H H 8.944 0.004 1 728 173 178 GLY C C 174.310 0.1 1 729 173 178 GLY CA C 46.399 0.040 1 730 173 178 GLY N N 103.730 0.031 1 731 174 179 ARG H H 7.617 0.005 1 732 174 179 ARG C C 172.414 0.1 1 733 174 179 ARG CA C 53.841 0.066 1 734 174 179 ARG CB C 32.648 0.060 1 735 174 179 ARG N N 119.008 0.039 1 736 175 180 LEU H H 8.329 0.009 1 737 175 180 LEU C C 176.715 0.1 1 738 175 180 LEU CA C 53.437 0.033 1 739 175 180 LEU CB C 40.640 0.139 1 740 175 180 LEU N N 123.494 0.017 1 741 176 181 TYR H H 7.475 0.005 1 742 176 181 TYR C C 174.620 0.1 1 743 176 181 TYR CA C 58.806 0.051 1 744 176 181 TYR CB C 39.355 0.099 1 745 176 181 TYR N N 121.595 0.140 1 746 177 182 GLU H H 8.555 0.012 1 747 177 182 GLU C C 176.775 0.1 1 748 177 182 GLU CA C 57.727 0.024 1 749 177 182 GLU CB C 30.116 0.099 1 750 177 182 GLU N N 122.314 0.053 1 751 178 183 LEU H H 8.204 0.010 1 752 178 183 LEU C C 176.155 0.1 1 753 178 183 LEU CA C 59.052 0.1 1 754 178 183 LEU N N 121.022 0.145 1 755 179 184 ASP H H 8.093 0.002 1 756 179 184 ASP C C 177.772 0.1 1 757 179 184 ASP CA C 55.338 0.1 1 758 179 184 ASP N N 114.306 0.032 1 759 180 185 GLY H H 8.285 0.01 1 760 180 185 GLY C C 173.737 0.1 1 761 180 185 GLY CA C 45.713 0.040 1 762 180 185 GLY N N 109.317 0.05 1 763 181 186 LEU H H 8.071 0.011 1 764 181 186 LEU C C 176.168 0.1 1 765 181 186 LEU CA C 54.433 0.1 1 766 181 186 LEU CB C 30.231 0.1 1 767 181 186 LEU N N 121.364 0.043 1 768 182 187 ARG H H 9.778 0.012 1 769 182 187 ARG CA C 53.398 0.064 1 770 182 187 ARG CB C 29.267 0.1 1 771 182 187 ARG N N 130.173 0.046 1 772 183 188 GLU H H 8.242 0.048 1 773 183 188 GLU CA C 57.147 0.050 1 774 183 188 GLU CB C 29.325 0.1 1 775 183 188 GLU N N 118.866 0.999 1 776 184 189 GLY H H 7.037 0.002 1 777 184 189 GLY CA C 44.344 0.1 1 778 184 189 GLY N N 103.738 0.039 1 779 188 193 LEU C C 177.363 0.1 1 780 188 193 LEU CA C 53.988 0.069 1 781 188 193 LEU CB C 41.758 0.092 1 782 189 194 GLY H H 8.589 0.004 1 783 189 194 GLY C C 172.210 0.1 1 784 189 194 GLY CA C 43.763 0.017 1 785 189 194 GLY N N 109.483 0.042 1 786 190 195 ALA H H 8.051 0.011 1 787 190 195 ALA C C 177.514 0.1 1 788 190 195 ALA CA C 52.139 0.051 1 789 190 195 ALA CB C 19.676 0.080 1 790 190 195 ALA N N 118.990 0.032 1 791 191 196 CYS H H 8.334 0.004 1 792 191 196 CYS C C 171.580 0.1 1 793 191 196 CYS CA C 55.648 0.082 1 794 191 196 CYS CB C 30.914 0.253 1 795 191 196 CYS N N 114.356 0.028 1 796 192 197 ASN H H 8.740 0.004 1 797 192 197 ASN C C 178.368 0.1 1 798 192 197 ASN CA C 55.398 3.237 1 799 192 197 ASN CB C 41.015 0.1 1 800 192 197 ASN N N 119.503 0.052 1 801 193 198 GLN H H 8.202 0.011 1 802 193 198 GLN C C 178.654 0.1 1 803 193 198 GLN CA C 58.172 0.082 1 804 193 198 GLN N N 119.858 0.045 1 805 194 199 ASP H H 8.562 0.016 1 806 194 199 ASP C C 175.946 0.1 1 807 194 199 ASP CA C 56.939 0.1 1 808 194 199 ASP CB C 39.851 0.1 1 809 194 199 ASP N N 113.847 0.063 1 810 195 200 ASP H H 7.171 0.002 1 811 195 200 ASP C C 176.306 0.1 1 812 195 200 ASP CA C 53.492 0.107 1 813 195 200 ASP CB C 41.694 0.018 1 814 195 200 ASP N N 114.164 0.032 1 815 196 201 TRP H H 9.092 0.005 1 816 196 201 TRP C C 177.475 0.1 1 817 196 201 TRP CA C 58.636 0.073 1 818 196 201 TRP CB C 28.800 0.1 1 819 196 201 TRP N N 127.466 0.027 1 820 197 202 ILE H H 7.035 0.010 1 821 197 202 ILE C C 177.706 0.1 1 822 197 202 ILE CA C 61.109 0.068 1 823 197 202 ILE CB C 34.587 0.084 1 824 197 202 ILE N N 122.765 0.054 1 825 198 203 SER H H 7.756 0.004 1 826 198 203 SER C C 175.760 0.1 1 827 198 203 SER CA C 61.227 0.013 1 828 198 203 SER CB C 62.312 0.028 1 829 198 203 SER N N 114.373 0.033 1 830 199 204 ALA H H 7.218 0.004 1 831 199 204 ALA C C 178.247 0.1 1 832 199 204 ALA CA C 53.645 0.016 1 833 199 204 ALA CB C 19.092 0.091 1 834 199 204 ALA N N 121.975 0.023 1 835 200 205 VAL H H 7.380 0.005 1 836 200 205 VAL C C 176.109 0.1 1 837 200 205 VAL CA C 61.856 0.041 1 838 200 205 VAL CB C 32.722 0.020 1 839 200 205 VAL N N 116.150 0.071 1 840 201 206 ARG H H 7.749 0.012 1 841 201 206 ARG N N 122.842 0.029 1 842 202 207 PRO C C 179.077 0.1 1 843 202 207 PRO CA C 65.615 0.073 1 844 202 207 PRO CB C 30.757 0.1 1 845 203 208 VAL H H 6.692 0.004 1 846 203 208 VAL C C 178.729 0.1 1 847 203 208 VAL CA C 65.329 0.083 1 848 203 208 VAL CB C 31.848 0.014 1 849 203 208 VAL N N 116.861 0.033 1 850 204 209 ILE H H 7.536 0.004 1 851 204 209 ILE C C 177.529 0.1 1 852 204 209 ILE CA C 63.607 0.070 1 853 204 209 ILE CB C 37.160 0.067 1 854 204 209 ILE N N 119.341 0.038 1 855 205 210 GLU H H 8.604 0.018 1 856 205 210 GLU C C 178.103 0.1 1 857 205 210 GLU CA C 61.900 0.015 1 858 205 210 GLU CB C 29.167 0.1 1 859 205 210 GLU N N 119.797 0.068 1 860 206 211 LYS H H 8.452 0.018 1 861 206 211 LYS C C 177.837 0.1 1 862 206 211 LYS CA C 59.488 0.074 1 863 206 211 LYS CB C 32.417 0.046 1 864 206 211 LYS N N 122.708 0.070 1 865 207 212 ARG H H 7.624 0.004 1 866 207 212 ARG C C 177.352 0.1 1 867 207 212 ARG CA C 59.177 0.030 1 868 207 212 ARG CB C 30.538 0.1 1 869 207 212 ARG N N 117.624 0.031 1 870 208 213 ILE H H 8.110 0.006 1 871 208 213 ILE C C 178.437 0.1 1 872 208 213 ILE CA C 65.569 0.061 1 873 208 213 ILE CB C 37.557 0.1 1 874 208 213 ILE N N 116.564 0.045 1 875 209 214 GLN H H 7.956 0.012 1 876 209 214 GLN C C 177.978 0.1 1 877 209 214 GLN CA C 59.162 0.048 1 878 209 214 GLN CB C 27.755 0.143 1 879 209 214 GLN N N 120.782 0.052 1 880 210 215 LYS H H 7.422 0.004 1 881 210 215 LYS CA C 58.789 0.199 1 882 210 215 LYS CB C 31.732 0.1 1 883 210 215 LYS N N 118.716 0.078 1 884 211 216 TYR H H 7.961 0.001 1 885 211 216 TYR CA C 61.259 0.1 1 886 211 216 TYR CB C 38.498 0.091 1 887 211 216 TYR N N 115.600 0.011 1 888 212 217 SER H H 8.082 0.001 1 889 212 217 SER C C 176.458 0.1 1 890 212 217 SER CA C 61.948 0.038 1 891 212 217 SER N N 123.322 0.020 1 892 213 218 GLU H H 8.048 0.010 1 893 213 218 GLU CA C 58.534 0.079 1 894 213 218 GLU CB C 29.676 0.1 1 895 213 218 GLU N N 122.741 0.082 1 896 214 219 GLY H H 7.900 0.006 1 897 214 219 GLY N N 106.614 0.035 1 898 215 220 GLU H H 8.686 0.033 1 899 215 220 GLU C C 175.316 0.1 1 900 215 220 GLU CA C 57.099 0.068 1 901 215 220 GLU CB C 28.214 0.1 1 902 215 220 GLU N N 113.874 0.121 1 903 216 221 ILE H H 8.426 0.013 1 904 216 221 ILE C C 176.263 0.1 1 905 216 221 ILE CA C 60.625 0.048 1 906 216 221 ILE CB C 38.382 0.030 1 907 216 221 ILE N N 121.827 0.032 1 908 217 222 ARG H H 8.259 0.011 1 909 217 222 ARG C C 174.533 0.1 1 910 217 222 ARG CA C 56.467 0.081 1 911 217 222 ARG CB C 31.107 0.068 1 912 217 222 ARG N N 127.555 0.074 1 913 218 223 PHE H H 7.439 0.003 1 914 218 223 PHE C C 176.189 0.1 1 915 218 223 PHE CA C 56.287 0.088 1 916 218 223 PHE N N 115.827 0.030 1 917 219 224 ASN H H 8.177 0.009 1 918 219 224 ASN N N 120.390 0.029 1 919 220 225 LEU C C 174.344 0.1 1 920 220 225 LEU CA C 54.083 0.070 1 921 220 225 LEU CB C 45.583 0.1 1 922 221 226 MET H H 9.411 0.011 1 923 221 226 MET C C 173.530 0.1 1 924 221 226 MET CA C 53.645 0.027 1 925 221 226 MET CB C 36.299 0.064 1 926 221 226 MET N N 121.073 0.031 1 927 222 227 ALA H H 9.574 0.005 1 928 222 227 ALA C C 175.521 0.1 1 929 222 227 ALA CA C 50.226 0.062 1 930 222 227 ALA CB C 22.588 0.044 1 931 222 227 ALA N N 122.975 0.028 1 932 223 228 ILE H H 8.654 0.010 1 933 223 228 ILE C C 175.004 0.1 1 934 223 228 ILE CA C 60.914 0.072 1 935 223 228 ILE CB C 37.071 0.109 1 936 223 228 ILE N N 121.848 0.044 1 937 224 229 VAL H H 9.263 0.009 1 938 224 229 VAL C C 175.931 0.1 1 939 224 229 VAL CA C 60.319 0.1 1 940 224 229 VAL CB C 32.200 0.1 1 941 224 229 VAL N N 121.302 0.030 1 942 225 230 SER H H 8.103 0.004 1 943 225 230 SER C C 174.172 0.1 1 944 225 230 SER CA C 59.898 0.135 1 945 225 230 SER CB C 63.665 0.043 1 946 225 230 SER N N 116.220 0.035 1 947 226 231 ASP H H 7.915 0.007 1 948 226 231 ASP C C 176.563 0.1 1 949 226 231 ASP CA C 53.376 0.045 1 950 226 231 ASP CB C 40.916 0.021 1 951 226 231 ASP N N 122.223 0.040 1 952 227 232 ARG H H 8.248 0.007 1 953 227 232 ARG C C 174.576 0.1 1 954 227 232 ARG CA C 56.990 0.058 1 955 227 232 ARG CB C 33.094 5.059 1 956 227 232 ARG N N 123.907 0.040 1 957 228 233 LYS H H 8.768 0.273 1 958 228 233 LYS C C 175.755 0.1 1 959 228 233 LYS CA C 54.477 0.042 1 960 228 233 LYS CB C 43.972 0.039 1 961 228 233 LYS N N 121.226 0.293 1 962 229 234 MET H H 6.920 0.011 1 963 229 234 MET C C 174.833 0.1 1 964 229 234 MET CA C 55.867 0.041 1 965 229 234 MET CB C 31.973 0.1 1 966 229 234 MET N N 116.522 0.047 1 967 230 235 ILE H H 7.840 0.009 1 968 230 235 ILE C C 177.295 0.1 1 969 230 235 ILE CA C 57.573 0.145 1 970 230 235 ILE CB C 30.181 0.050 1 971 230 235 ILE N N 127.906 0.047 1 972 231 236 TYR H H 7.957 0.012 1 973 231 236 TYR C C 172.302 0.1 1 974 231 236 TYR CA C 56.437 0.061 1 975 231 236 TYR CB C 39.436 0.1 1 976 231 236 TYR N N 119.625 0.029 1 977 232 237 GLU H H 9.395 0.002 1 978 232 237 GLU C C 176.884 0.1 1 979 232 237 GLU CA C 56.981 0.100 1 980 232 237 GLU CB C 30.418 0.113 1 981 232 237 GLU N N 121.609 0.010 1 982 233 238 GLN H H 8.097 0.005 1 983 233 238 GLN C C 176.238 0.1 1 984 233 238 GLN CA C 56.466 0.083 1 985 233 238 GLN CB C 29.142 0.062 1 986 233 238 GLN N N 120.778 0.034 1 987 234 239 LYS H H 8.175 0.005 1 988 234 239 LYS C C 176.979 0.1 1 989 234 239 LYS CA C 56.694 0.031 1 990 234 239 LYS CB C 32.540 0.073 1 991 234 239 LYS N N 122.100 0.034 1 992 235 240 ILE H H 7.961 0.007 1 993 235 240 ILE C C 176.430 0.1 1 994 235 240 ILE CA C 61.569 0.062 1 995 235 240 ILE CB C 38.249 0.035 1 996 235 240 ILE N N 121.165 0.029 1 997 236 241 ALA H H 8.129 0.010 1 998 236 241 ALA C C 178.012 0.1 1 999 236 241 ALA CA C 53.070 0.013 1 1000 236 241 ALA CB C 19.014 0.083 1 1001 236 241 ALA N N 126.781 0.066 1 1002 237 242 GLU H H 8.119 0.007 1 1003 237 242 GLU C C 176.518 0.1 1 1004 237 242 GLU CA C 56.858 0.031 1 1005 237 242 GLU CB C 30.126 0.066 1 1006 237 242 GLU N N 119.146 0.046 1 1007 238 243 LEU H H 7.957 0.015 1 1008 238 243 LEU CA C 57.776 0.043 1 1009 238 243 LEU CB C 42.332 0.1 1 1010 238 243 LEU N N 121.934 0.055 1 1011 239 244 GLN H H 8.528 0.009 1 1012 239 244 GLN CA C 55.687 0.1 1 1013 239 244 GLN CB C 29.160 0.068 1 1014 239 244 GLN N N 131.324 0.071 1 1015 240 245 ARG H H 7.831 0.001 1 1016 240 245 ARG N N 127.897 0.029 1 stop_ save_