data_50445 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignment of dopamine N-acetyltransferase (Dat) ; _BMRB_accession_number 50445 _BMRB_flat_file_name bmr50445.str _Entry_type original _Submission_date 2020-08-26 _Accession_date 2020-08-26 _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 Wu Chu-Ya . . 2 Lee Yi-Zong . . 3 Hu I-Chen . . 4 Chiu Liang-Yuan . . 5 Ding Wei-Cheng . . 6 Wang Jing . . 7 Sue Shih-Che . . 8 Tate Shin-ichi . . 9 Lyu Ping-Chiang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 184 "13C chemical shifts" 529 "15N chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-11-02 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 28139 'Backbone resonance assignment of dopamine N-acetyltransferase (Dat) in complex with Ac-CoA' stop_ _Original_release_date 2020-08-26 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; An essential role of acetyl coenzyme A in the catalytic cycle of insect arylalkylamine N-acetyltransferase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32796911 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Chu-Ya Y. . 2 Hu I-Chen C. . 3 Yang Yi-Chen C. . 4 Ding Wei-Cheng C. . 5 Lai Chih-Hsuan H. . 6 Lee Yi-Zong Z. . 7 Liu Yi-Chung C. . 8 Cheng Hui-Chun C. . 9 Lyu Ping-Chiang C. . stop_ _Journal_abbreviation 'Commun. Biol.' _Journal_name_full 'Communications biology' _Journal_volume 3 _Journal_issue 1 _Journal_ISSN 2399-3642 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 441 _Page_last 441 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name Dat _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Dat $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 24412.06 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 214 _Mol_residue_sequence ; GSHMPYTIELIQPEDGEAVI AMLKTFFFKDEPLNTFLDLG ECKELEKYSLKPLPDNCSYK AVNKKGEIIGVFLNGLMRRP SPDDVPEKAADSCEHPKFKK ILSLMDHVEEQFNIFDVYPD EELILDGKILSVDTNYRGLG IAGRLTERAYEYMRENGINV YHVLCSSHYSARVMEKLGFH EVFRMQFADYKPQGEVVFKP AAPHVGIQVMAKEV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 17 GLY 2 18 SER 3 19 HIS 4 20 MET 5 21 PRO 6 22 TYR 7 23 THR 8 24 ILE 9 25 GLU 10 26 LEU 11 27 ILE 12 28 GLN 13 29 PRO 14 30 GLU 15 31 ASP 16 32 GLY 17 33 GLU 18 34 ALA 19 35 VAL 20 36 ILE 21 37 ALA 22 38 MET 23 39 LEU 24 40 LYS 25 41 THR 26 42 PHE 27 43 PHE 28 44 PHE 29 45 LYS 30 46 ASP 31 47 GLU 32 48 PRO 33 49 LEU 34 50 ASN 35 51 THR 36 52 PHE 37 53 LEU 38 54 ASP 39 55 LEU 40 56 GLY 41 57 GLU 42 58 CYS 43 59 LYS 44 60 GLU 45 61 LEU 46 62 GLU 47 63 LYS 48 64 TYR 49 65 SER 50 66 LEU 51 67 LYS 52 68 PRO 53 69 LEU 54 70 PRO 55 71 ASP 56 72 ASN 57 73 CYS 58 74 SER 59 75 TYR 60 76 LYS 61 77 ALA 62 78 VAL 63 79 ASN 64 80 LYS 65 81 LYS 66 82 GLY 67 83 GLU 68 84 ILE 69 85 ILE 70 86 GLY 71 87 VAL 72 88 PHE 73 89 LEU 74 90 ASN 75 91 GLY 76 92 LEU 77 93 MET 78 94 ARG 79 95 ARG 80 96 PRO 81 97 SER 82 98 PRO 83 99 ASP 84 100 ASP 85 101 VAL 86 102 PRO 87 103 GLU 88 104 LYS 89 105 ALA 90 106 ALA 91 107 ASP 92 108 SER 93 109 CYS 94 110 GLU 95 111 HIS 96 112 PRO 97 113 LYS 98 114 PHE 99 115 LYS 100 116 LYS 101 117 ILE 102 118 LEU 103 119 SER 104 120 LEU 105 121 MET 106 122 ASP 107 123 HIS 108 124 VAL 109 125 GLU 110 126 GLU 111 127 GLN 112 128 PHE 113 129 ASN 114 130 ILE 115 131 PHE 116 132 ASP 117 133 VAL 118 134 TYR 119 135 PRO 120 136 ASP 121 137 GLU 122 138 GLU 123 139 LEU 124 140 ILE 125 141 LEU 126 142 ASP 127 143 GLY 128 144 LYS 129 145 ILE 130 146 LEU 131 147 SER 132 148 VAL 133 149 ASP 134 150 THR 135 151 ASN 136 152 TYR 137 153 ARG 138 154 GLY 139 155 LEU 140 156 GLY 141 157 ILE 142 158 ALA 143 159 GLY 144 160 ARG 145 161 LEU 146 162 THR 147 163 GLU 148 164 ARG 149 165 ALA 150 166 TYR 151 167 GLU 152 168 TYR 153 169 MET 154 170 ARG 155 171 GLU 156 172 ASN 157 173 GLY 158 174 ILE 159 175 ASN 160 176 VAL 161 177 TYR 162 178 HIS 163 179 VAL 164 180 LEU 165 181 CYS 166 182 SER 167 183 SER 168 184 HIS 169 185 TYR 170 186 SER 171 187 ALA 172 188 ARG 173 189 VAL 174 190 MET 175 191 GLU 176 192 LYS 177 193 LEU 178 194 GLY 179 195 PHE 180 196 HIS 181 197 GLU 182 198 VAL 183 199 PHE 184 200 ARG 185 201 MET 186 202 GLN 187 203 PHE 188 204 ALA 189 205 ASP 190 206 TYR 191 207 LYS 192 208 PRO 193 209 GLN 194 210 GLY 195 211 GLU 196 212 VAL 197 213 VAL 198 214 PHE 199 215 LYS 200 216 PRO 201 217 ALA 202 218 ALA 203 219 PRO 204 220 HIS 205 221 VAL 206 222 GLY 207 223 ILE 208 224 GLN 209 225 VAL 210 226 MET 211 227 ALA 212 228 LYS 213 229 GLU 214 230 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3V8I 'Dopamine N-acetyltransferase' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N; U-2H]' Tris-HCl 50 mM 'natural abundance' DTT 1 mM 'natural abundance' NaCl 100 mM 'natural abundance' DSS 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRFAM-SPARKY _Version . loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50 mM Tris-HCl (pH 7.0)/1 mM DTT/100 mM NaCl/10% D2O/0.2 mM DSS' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7.0 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_2 stop_ loop_ _Experiment_label '3D HN(CO)CA' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name Dat _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 21 5 PRO C C 175.274 0.00 1 2 21 5 PRO CA C 63.032 0.01 1 3 21 5 PRO CB C 30.574 0.00 1 4 22 6 TYR H H 7.301 0.00 1 5 22 6 TYR C C 173.755 0.01 1 6 22 6 TYR CA C 55.539 0.02 1 7 22 6 TYR CB C 39.514 0.00 1 8 22 6 TYR N N 113.987 0.03 1 9 23 7 THR H H 8.781 0.00 1 10 23 7 THR C C 173.163 0.01 1 11 23 7 THR CA C 59.523 0.01 1 12 23 7 THR CB C 70.665 0.03 1 13 23 7 THR N N 111.308 0.02 1 14 24 8 ILE H H 8.556 0.00 1 15 24 8 ILE C C 175.993 0.03 1 16 24 8 ILE CA C 58.039 0.02 1 17 24 8 ILE CB C 35.944 0.02 1 18 24 8 ILE N N 121.154 0.06 1 19 25 9 GLU H H 9.361 0.00 1 20 25 9 GLU C C 174.969 0.02 1 21 25 9 GLU CA C 53.343 0.02 1 22 25 9 GLU CB C 34.209 0.05 1 23 25 9 GLU N N 125.762 0.07 1 24 26 10 LEU H H 8.751 0.00 1 25 26 10 LEU C C 177.809 0.00 1 26 26 10 LEU CA C 55.222 0.06 1 27 26 10 LEU CB C 42.620 0.01 1 28 26 10 LEU N N 123.681 0.08 1 29 27 11 ILE H H 8.517 0.00 1 30 27 11 ILE C C 175.429 0.03 1 31 27 11 ILE CA C 62.979 0.04 1 32 27 11 ILE CB C 36.242 0.04 1 33 27 11 ILE N N 125.364 0.07 1 34 28 12 GLN H H 8.951 0.00 1 35 28 12 GLN CA C 52.880 0.00 1 36 28 12 GLN CB C 27.913 0.00 1 37 28 12 GLN N N 129.401 0.02 1 38 29 13 PRO C C 179.529 0.01 1 39 29 13 PRO CA C 65.863 0.00 1 40 30 14 GLU H H 9.338 0.00 1 41 30 14 GLU C C 177.260 0.03 1 42 30 14 GLU CA C 58.230 0.03 1 43 30 14 GLU N N 115.236 0.05 1 44 31 15 ASP H H 8.252 0.00 1 45 31 15 ASP C C 176.535 0.00 1 46 31 15 ASP CA C 54.970 0.02 1 47 31 15 ASP N N 119.606 0.02 1 48 32 16 GLY H H 7.830 0.00 1 49 32 16 GLY C C 174.597 0.02 1 50 32 16 GLY CA C 48.702 0.02 1 51 32 16 GLY N N 106.637 0.03 1 52 33 17 GLU H H 8.466 0.00 1 53 33 17 GLU C C 179.264 0.01 1 54 33 17 GLU CA C 59.753 0.01 1 55 33 17 GLU CB C 27.997 0.02 1 56 33 17 GLU N N 119.481 0.06 1 57 34 18 ALA H H 8.296 0.00 1 58 34 18 ALA C C 181.584 0.00 1 59 34 18 ALA CA C 54.404 0.02 1 60 34 18 ALA CB C 17.610 0.07 1 61 34 18 ALA N N 124.102 0.08 1 62 35 19 VAL H H 8.706 0.00 1 63 35 19 VAL C C 177.499 0.02 1 64 35 19 VAL CA C 66.739 0.04 1 65 35 19 VAL CB C 30.314 0.09 1 66 35 19 VAL N N 120.573 0.04 1 67 36 20 ILE H H 8.512 0.14 1 68 36 20 ILE C C 177.503 0.00 1 69 36 20 ILE CA C 62.073 0.00 1 70 36 20 ILE CB C 34.794 0.01 1 71 36 20 ILE N N 119.454 0.79 1 72 37 21 ALA H H 8.123 0.00 1 73 37 21 ALA C C 180.291 0.01 1 74 37 21 ALA CA C 55.173 0.01 1 75 37 21 ALA CB C 17.075 0.07 1 76 37 21 ALA N N 121.731 0.06 1 77 38 22 MET H H 7.562 0.00 1 78 38 22 MET C C 179.208 0.01 1 79 38 22 MET CA C 59.624 0.01 1 80 38 22 MET CB C 31.200 0.00 1 81 38 22 MET N N 119.593 0.04 1 82 39 23 LEU H H 8.699 0.00 1 83 39 23 LEU C C 180.896 0.00 1 84 39 23 LEU CA C 56.996 0.01 1 85 39 23 LEU N N 119.788 0.02 1 86 40 24 LYS H H 9.049 0.01 1 87 40 24 LYS C C 178.217 0.03 1 88 40 24 LYS CA C 60.060 0.02 1 89 40 24 LYS N N 120.004 0.07 1 90 41 25 THR H H 7.457 0.00 1 91 41 25 THR C C 175.283 0.00 1 92 41 25 THR CA C 65.410 0.04 1 93 41 25 THR CB C 68.684 0.00 1 94 41 25 THR N N 114.960 0.04 1 95 42 26 PHE H H 8.020 0.00 1 96 42 26 PHE CA C 59.275 0.04 1 97 42 26 PHE N N 115.071 0.03 1 98 43 27 PHE H H 8.441 0.00 1 99 43 27 PHE CA C 60.766 0.02 1 100 43 27 PHE N N 121.168 0.11 1 101 44 28 PHE H H 8.528 0.00 1 102 44 28 PHE C C 178.207 0.00 1 103 44 28 PHE CA C 59.751 0.06 1 104 44 28 PHE N N 117.011 0.01 1 105 45 29 LYS H H 7.895 0.00 1 106 45 29 LYS C C 176.173 0.00 1 107 45 29 LYS CA C 57.630 0.03 1 108 45 29 LYS N N 114.507 0.06 1 109 46 30 ASP H H 7.154 0.00 1 110 46 30 ASP C C 176.210 0.00 1 111 46 30 ASP CA C 53.400 0.01 1 112 46 30 ASP N N 115.471 0.04 1 113 47 31 GLU H H 7.185 0.00 1 114 47 31 GLU CA C 54.188 0.00 1 115 47 31 GLU CB C 28.907 0.00 1 116 47 31 GLU N N 125.911 0.07 1 117 48 32 PRO C C 179.376 0.00 1 118 48 32 PRO CA C 64.685 0.06 1 119 49 33 LEU H H 9.131 0.00 1 120 49 33 LEU CA C 57.801 0.00 1 121 49 33 LEU N N 119.232 0.04 1 122 50 34 ASN C C 178.199 0.00 1 123 51 35 THR H H 8.036 0.00 1 124 51 35 THR C C 177.677 0.00 1 125 51 35 THR CA C 65.310 0.00 1 126 51 35 THR N N 113.446 0.09 1 127 52 36 PHE H H 8.253 0.00 1 128 52 36 PHE C C 176.805 0.02 1 129 52 36 PHE CA C 61.132 0.01 1 130 52 36 PHE N N 123.058 0.02 1 131 53 37 LEU H H 7.588 0.00 1 132 53 37 LEU C C 176.330 0.00 1 133 53 37 LEU CA C 54.470 0.01 1 134 53 37 LEU CB C 38.097 0.00 1 135 53 37 LEU N N 114.630 0.04 1 136 54 38 ASP H H 8.011 0.00 1 137 54 38 ASP C C 175.798 0.03 1 138 54 38 ASP CA C 54.377 0.03 1 139 54 38 ASP CB C 42.035 0.01 1 140 54 38 ASP N N 119.818 0.06 1 141 55 39 LEU H H 7.949 0.00 1 142 55 39 LEU C C 177.497 0.00 1 143 55 39 LEU CA C 57.187 0.06 1 144 55 39 LEU N N 119.685 0.03 1 145 56 40 GLY H H 8.430 0.00 1 146 56 40 GLY C C 173.836 0.01 1 147 56 40 GLY CA C 44.618 0.03 1 148 56 40 GLY N N 107.440 0.02 1 149 57 41 GLU H H 8.316 0.00 1 150 57 41 GLU C C 176.753 0.00 1 151 57 41 GLU CA C 56.176 0.06 1 152 57 41 GLU CB C 28.324 0.00 1 153 57 41 GLU N N 122.558 0.04 1 154 58 42 CYS H H 8.900 0.00 1 155 58 42 CYS CA C 57.374 0.00 1 156 58 42 CYS N N 126.400 0.05 1 157 59 43 LYS C C 179.142 0.00 1 158 59 43 LYS CA C 58.608 0.01 1 159 60 44 GLU H H 9.733 0.01 1 160 60 44 GLU C C 178.825 0.00 1 161 60 44 GLU CA C 60.616 0.04 1 162 60 44 GLU CB C 28.323 0.06 1 163 60 44 GLU N N 120.401 0.07 1 164 61 45 LEU H H 6.891 0.00 1 165 61 45 LEU C C 179.263 0.00 1 166 61 45 LEU CA C 57.065 0.05 1 167 61 45 LEU CB C 39.856 0.00 1 168 61 45 LEU N N 122.151 0.07 1 169 62 46 GLU H H 7.357 0.01 1 170 62 46 GLU C C 177.739 0.00 1 171 62 46 GLU CA C 59.903 0.02 1 172 62 46 GLU CB C 27.783 0.00 1 173 62 46 GLU N N 122.354 0.02 1 174 63 47 LYS H H 8.046 0.00 1 175 63 47 LYS C C 179.975 0.00 1 176 63 47 LYS CA C 58.929 0.06 1 177 63 47 LYS CB C 31.462 0.10 1 178 63 47 LYS N N 117.143 0.04 1 179 64 48 TYR H H 8.285 0.01 1 180 64 48 TYR C C 178.720 0.00 1 181 64 48 TYR CA C 61.299 0.04 1 182 64 48 TYR CB C 38.757 0.00 1 183 64 48 TYR N N 120.047 0.07 1 184 65 49 SER H H 8.212 0.00 1 185 65 49 SER C C 173.346 0.00 1 186 65 49 SER CA C 62.131 0.03 1 187 65 49 SER N N 114.163 0.03 1 188 66 50 LEU H H 7.105 0.00 1 189 66 50 LEU C C 178.439 0.00 1 190 66 50 LEU CA C 53.665 0.04 1 191 66 50 LEU CB C 40.697 0.06 1 192 66 50 LEU N N 113.175 0.05 1 193 67 51 LYS H H 7.429 0.01 1 194 67 51 LYS C C 174.777 0.00 1 195 67 51 LYS CA C 60.499 0.00 1 196 67 51 LYS CB C 29.698 0.00 1 197 67 51 LYS N N 124.743 0.03 1 198 68 52 PRO C C 178.752 0.01 1 199 68 52 PRO CA C 64.595 0.00 1 200 68 52 PRO CB C 30.560 0.00 1 201 69 53 LEU H H 7.671 0.00 1 202 69 53 LEU C C 176.343 0.00 1 203 69 53 LEU CA C 61.010 0.00 1 204 69 53 LEU CB C 37.891 0.00 1 205 69 53 LEU N N 120.592 0.04 1 206 70 54 PRO C C 176.158 0.00 1 207 70 54 PRO CA C 64.767 0.00 1 208 71 55 ASP H H 7.856 0.00 1 209 71 55 ASP C C 176.124 0.03 1 210 71 55 ASP CA C 55.829 0.02 1 211 71 55 ASP CB C 39.490 0.00 1 212 71 55 ASP N N 116.965 0.04 1 213 72 56 ASN H H 8.538 0.00 1 214 72 56 ASN C C 173.475 0.02 1 215 72 56 ASN CA C 54.043 0.06 1 216 72 56 ASN CB C 35.943 0.00 1 217 72 56 ASN N N 114.866 0.05 1 218 73 57 CYS H H 8.593 0.00 1 219 73 57 CYS C C 171.180 0.00 1 220 73 57 CYS CA C 55.420 0.05 1 221 73 57 CYS N N 110.664 0.06 1 222 74 58 SER H H 7.311 0.00 1 223 74 58 SER C C 171.948 0.00 1 224 74 58 SER CA C 58.510 0.00 1 225 74 58 SER CB C 64.346 0.00 1 226 74 58 SER N N 115.415 0.09 1 227 75 59 TYR C C 173.043 0.00 1 228 75 59 TYR CA C 57.677 0.01 1 229 76 60 LYS H H 9.633 0.00 1 230 76 60 LYS C C 173.223 0.03 1 231 76 60 LYS CA C 51.665 0.03 1 232 76 60 LYS CB C 33.758 0.05 1 233 76 60 LYS N N 115.979 0.08 1 234 77 61 ALA H H 8.965 0.00 1 235 77 61 ALA C C 176.510 0.00 1 236 77 61 ALA CA C 48.945 0.02 1 237 77 61 ALA CB C 19.770 0.02 1 238 77 61 ALA N N 125.217 0.04 1 239 78 62 VAL H H 9.163 0.00 1 240 78 62 VAL C C 176.750 0.06 1 241 78 62 VAL CA C 59.065 0.04 1 242 78 62 VAL CB C 33.893 0.03 1 243 78 62 VAL N N 121.436 0.06 1 244 79 63 ASN H H 8.460 0.00 1 245 79 63 ASN C C 177.393 0.04 1 246 79 63 ASN CA C 51.109 0.03 1 247 79 63 ASN CB C 37.934 0.00 1 248 79 63 ASN N N 122.336 0.07 1 249 80 64 LYS H H 8.584 0.00 1 250 80 64 LYS C C 177.622 0.00 1 251 80 64 LYS CA C 58.355 0.01 1 252 80 64 LYS N N 118.128 0.04 1 253 81 65 LYS H H 7.420 0.00 1 254 81 65 LYS C C 176.663 0.01 1 255 81 65 LYS CA C 55.708 0.01 1 256 81 65 LYS CB C 31.712 0.00 1 257 81 65 LYS N N 116.918 0.05 1 258 82 66 GLY H H 8.106 0.00 1 259 82 66 GLY C C 174.238 0.01 1 260 82 66 GLY CA C 44.917 0.03 1 261 82 66 GLY N N 107.644 0.03 1 262 83 67 GLU H H 7.882 0.00 1 263 83 67 GLU C C 175.890 0.03 1 264 83 67 GLU CA C 54.502 0.01 1 265 83 67 GLU CB C 28.793 0.01 1 266 83 67 GLU N N 120.143 0.05 1 267 84 68 ILE H H 8.753 0.02 1 268 84 68 ILE CA C 62.596 0.00 1 269 84 68 ILE CB C 37.203 0.00 1 270 84 68 ILE N N 122.257 0.12 1 271 85 69 ILE C C 174.836 0.00 1 272 85 69 ILE CA C 60.366 0.00 1 273 86 70 GLY H H 7.506 0.00 1 274 86 70 GLY C C 171.187 0.02 1 275 86 70 GLY CA C 45.726 0.02 1 276 86 70 GLY N N 108.542 0.08 1 277 87 71 VAL H H 9.159 0.00 1 278 87 71 VAL C C 173.339 0.02 1 279 87 71 VAL CA C 59.422 0.02 1 280 87 71 VAL CB C 36.312 0.16 1 281 87 71 VAL N N 116.120 0.06 1 282 88 72 PHE H H 9.088 0.00 1 283 88 72 PHE C C 175.522 0.01 1 284 88 72 PHE CA C 54.877 0.02 1 285 88 72 PHE CB C 39.777 0.00 1 286 88 72 PHE N N 123.408 0.03 1 287 89 73 LEU H H 9.459 0.01 1 288 89 73 LEU C C 174.765 0.00 1 289 89 73 LEU CA C 54.030 0.03 1 290 89 73 LEU N N 124.226 0.06 1 291 90 74 ASN H H 8.609 0.00 1 292 90 74 ASN C C 172.790 0.00 1 293 90 74 ASN CA C 51.756 0.05 1 294 90 74 ASN N N 121.608 0.08 1 295 91 75 GLY H H 9.603 0.00 1 296 91 75 GLY C C 171.874 0.01 1 297 91 75 GLY CA C 42.713 0.03 1 298 91 75 GLY N N 106.116 0.04 1 299 92 76 LEU H H 8.570 0.00 1 300 92 76 LEU CA C 53.759 0.00 1 301 92 76 LEU N N 119.128 0.03 1 302 93 77 MET C C 174.242 0.00 1 303 93 77 MET CA C 54.736 0.02 1 304 93 77 MET CB C 34.740 0.00 1 305 94 78 ARG H H 8.638 0.00 1 306 94 78 ARG C C 175.764 0.03 1 307 94 78 ARG CA C 54.273 0.04 1 308 94 78 ARG CB C 30.854 0.02 1 309 94 78 ARG N N 124.522 0.04 1 310 95 79 ARG H H 7.765 0.00 1 311 95 79 ARG C C 174.436 0.00 1 312 95 79 ARG CA C 54.121 0.00 1 313 95 79 ARG CB C 29.498 0.00 1 314 95 79 ARG N N 126.377 0.06 1 315 96 80 PRO C C 176.845 0.03 1 316 96 80 PRO CA C 62.596 0.02 1 317 96 80 PRO CB C 31.423 0.00 1 318 97 81 SER H H 8.731 0.00 1 319 97 81 SER CA C 55.835 0.00 1 320 97 81 SER CB C 63.429 0.00 1 321 97 81 SER N N 119.316 0.04 1 322 98 82 PRO C C 176.670 0.00 1 323 98 82 PRO CA C 64.534 0.01 1 324 98 82 PRO CB C 30.941 0.00 1 325 99 83 ASP H H 7.953 0.00 1 326 99 83 ASP C C 175.924 0.03 1 327 99 83 ASP CA C 53.850 0.01 1 328 99 83 ASP CB C 40.400 0.00 1 329 99 83 ASP N N 114.227 0.04 1 330 100 84 ASP H H 7.493 0.00 1 331 100 84 ASP C C 175.940 0.02 1 332 100 84 ASP CA C 54.340 0.03 1 333 100 84 ASP CB C 40.913 0.03 1 334 100 84 ASP N N 120.875 0.03 1 335 101 85 VAL H H 8.501 0.00 1 336 101 85 VAL C C 174.566 0.00 1 337 101 85 VAL CA C 59.497 0.00 1 338 101 85 VAL CB C 31.731 0.00 1 339 101 85 VAL N N 123.634 0.04 1 340 102 86 PRO C C 176.659 0.00 1 341 102 86 PRO CA C 62.814 0.02 1 342 102 86 PRO CB C 31.274 0.00 1 343 103 87 GLU H H 8.590 0.00 1 344 103 87 GLU C C 176.192 0.01 1 345 103 87 GLU CA C 55.494 0.02 1 346 103 87 GLU CB C 30.138 0.00 1 347 103 87 GLU N N 122.680 0.05 1 348 104 88 LYS H H 8.785 0.00 1 349 104 88 LYS C C 177.775 0.01 1 350 104 88 LYS CA C 54.557 0.01 1 351 104 88 LYS CB C 30.092 0.06 1 352 104 88 LYS N N 124.883 0.03 1 353 105 89 ALA H H 10.496 0.00 1 354 105 89 ALA C C 180.906 0.01 1 355 105 89 ALA CA C 54.522 0.03 1 356 105 89 ALA CB C 18.508 0.00 1 357 105 89 ALA N N 132.985 0.07 1 358 106 90 ALA H H 9.660 0.00 1 359 106 90 ALA C C 179.403 0.00 1 360 106 90 ALA CA C 54.409 0.01 1 361 106 90 ALA CB C 18.483 0.00 1 362 106 90 ALA N N 119.095 0.05 1 363 107 91 ASP H H 7.096 0.00 1 364 107 91 ASP C C 177.163 0.04 1 365 107 91 ASP CA C 56.355 0.01 1 366 107 91 ASP CB C 39.596 0.01 1 367 107 91 ASP N N 113.955 0.05 1 368 108 92 SER H H 7.453 0.01 1 369 108 92 SER C C 173.115 0.00 1 370 108 92 SER CA C 57.475 0.01 1 371 108 92 SER CB C 63.501 0.00 1 372 108 92 SER N N 111.573 0.04 1 373 109 93 CYS H H 7.369 0.00 1 374 109 93 CYS C C 174.132 0.02 1 375 109 93 CYS CA C 57.923 0.01 1 376 109 93 CYS CB C 29.102 0.00 1 377 109 93 CYS N N 121.827 0.04 1 378 110 94 GLU H H 9.873 0.00 1 379 110 94 GLU C C 176.597 0.02 1 380 110 94 GLU CA C 56.272 0.02 1 381 110 94 GLU CB C 29.370 0.01 1 382 110 94 GLU N N 128.438 0.04 1 383 111 95 HIS H H 8.261 0.01 1 384 111 95 HIS C C 175.360 0.00 1 385 111 95 HIS CA C 55.669 0.00 1 386 111 95 HIS CB C 31.504 0.00 1 387 111 95 HIS N N 125.851 0.03 1 388 112 96 PRO C C 179.270 0.00 1 389 112 96 PRO CA C 65.156 0.00 1 390 113 97 LYS H H 8.164 0.00 1 391 113 97 LYS C C 178.337 0.00 1 392 113 97 LYS CA C 58.717 0.03 1 393 113 97 LYS N N 115.723 0.03 1 394 114 98 PHE H H 9.604 0.00 1 395 114 98 PHE C C 177.469 0.00 1 396 114 98 PHE CA C 60.146 0.05 1 397 114 98 PHE N N 122.161 0.08 1 398 115 99 LYS H H 8.653 0.00 1 399 115 99 LYS C C 178.201 0.03 1 400 115 99 LYS CA C 60.028 0.00 1 401 115 99 LYS CB C 31.847 0.00 1 402 115 99 LYS N N 117.657 0.03 1 403 116 100 LYS H H 7.345 0.00 1 404 116 100 LYS C C 180.782 0.01 1 405 116 100 LYS CA C 59.569 0.03 1 406 116 100 LYS CB C 31.807 0.00 1 407 116 100 LYS N N 115.842 0.03 1 408 117 101 ILE H H 7.186 0.00 1 409 117 101 ILE C C 177.582 0.01 1 410 117 101 ILE CA C 65.552 0.02 1 411 117 101 ILE CB C 36.589 0.00 1 412 117 101 ILE N N 120.212 0.06 1 413 118 102 LEU H H 7.567 0.01 1 414 118 102 LEU C C 178.997 0.01 1 415 118 102 LEU CA C 57.318 0.01 1 416 118 102 LEU CB C 39.339 0.00 1 417 118 102 LEU N N 117.926 0.03 1 418 119 103 SER H H 8.815 0.00 1 419 119 103 SER C C 176.780 0.00 1 420 119 103 SER CA C 62.375 0.01 1 421 119 103 SER N N 115.091 0.06 1 422 120 104 LEU H H 7.343 0.00 1 423 120 104 LEU C C 177.789 0.02 1 424 120 104 LEU CA C 58.009 0.02 1 425 120 104 LEU CB C 39.141 0.00 1 426 120 104 LEU N N 124.846 0.08 1 427 121 105 MET H H 7.886 0.00 1 428 121 105 MET C C 179.572 0.00 1 429 121 105 MET CA C 57.595 0.04 1 430 121 105 MET CB C 30.226 0.00 1 431 121 105 MET N N 118.450 0.03 1 432 122 106 ASP H H 8.780 0.00 1 433 122 106 ASP C C 178.919 0.00 1 434 122 106 ASP CA C 57.132 0.01 1 435 122 106 ASP CB C 40.339 0.00 1 436 122 106 ASP N N 120.083 0.02 1 437 123 107 HIS H H 8.250 0.00 1 438 123 107 HIS C C 178.105 0.00 1 439 123 107 HIS CA C 59.717 0.05 1 440 123 107 HIS N N 121.476 0.05 1 441 124 108 VAL H H 8.619 0.00 1 442 124 108 VAL C C 177.283 0.03 1 443 124 108 VAL CA C 67.607 0.04 1 444 124 108 VAL CB C 30.322 0.00 1 445 124 108 VAL N N 120.017 0.03 1 446 125 109 GLU H H 7.704 0.00 1 447 125 109 GLU C C 178.037 0.00 1 448 125 109 GLU CA C 58.269 0.03 1 449 125 109 GLU N N 116.430 0.05 1 450 126 110 GLU H H 7.629 0.00 1 451 126 110 GLU C C 178.183 0.02 1 452 126 110 GLU CA C 57.727 0.03 1 453 126 110 GLU N N 117.308 0.03 1 454 127 111 GLN H H 7.703 0.00 1 455 127 111 GLN C C 175.727 0.01 1 456 127 111 GLN CA C 55.712 0.03 1 457 127 111 GLN N N 115.914 0.03 1 458 128 112 PHE H H 8.177 0.00 1 459 128 112 PHE C C 171.279 0.01 1 460 128 112 PHE CA C 57.472 0.01 1 461 128 112 PHE CB C 39.323 0.00 1 462 128 112 PHE N N 121.042 0.03 1 463 129 113 ASN H H 7.675 0.00 1 464 129 113 ASN C C 176.086 0.00 1 465 129 113 ASN CA C 50.412 0.01 1 466 129 113 ASN CB C 39.461 0.06 1 467 129 113 ASN N N 124.210 0.05 1 468 130 114 ILE H H 8.768 0.00 1 469 130 114 ILE C C 175.790 0.00 1 470 130 114 ILE CA C 60.132 0.02 1 471 130 114 ILE CB C 37.524 0.00 1 472 130 114 ILE N N 126.531 0.04 1 473 131 115 PHE H H 7.873 0.00 1 474 131 115 PHE C C 176.734 0.00 1 475 131 115 PHE CA C 61.251 0.07 1 476 131 115 PHE CB C 36.253 0.00 1 477 131 115 PHE N N 119.511 0.05 1 478 132 116 ASP H H 7.970 0.00 1 479 132 116 ASP C C 178.127 0.00 1 480 132 116 ASP CA C 55.903 0.06 1 481 132 116 ASP CB C 39.522 0.00 1 482 132 116 ASP N N 118.026 0.03 1 483 133 117 VAL H H 6.978 0.00 1 484 133 117 VAL C C 175.513 0.00 1 485 133 117 VAL CA C 63.298 0.01 1 486 133 117 VAL CB C 31.163 0.00 1 487 133 117 VAL N N 118.775 0.02 1 488 134 118 TYR H H 7.156 0.00 1 489 134 118 TYR CA C 56.062 0.00 1 490 134 118 TYR CB C 37.598 0.00 1 491 134 118 TYR N N 117.675 0.03 1 492 135 119 PRO C C 178.420 0.00 1 493 135 119 PRO CA C 64.441 0.01 1 494 135 119 PRO CB C 31.403 0.00 1 495 136 120 ASP H H 8.832 0.00 1 496 136 120 ASP C C 176.494 0.02 1 497 136 120 ASP CA C 54.311 0.01 1 498 136 120 ASP CB C 40.552 0.00 1 499 136 120 ASP N N 117.692 0.07 1 500 137 121 GLU H H 7.638 0.00 1 501 137 121 GLU C C 175.633 0.02 1 502 137 121 GLU CA C 54.639 0.01 1 503 137 121 GLU CB C 29.084 0.10 1 504 137 121 GLU N N 117.272 0.03 1 505 138 122 GLU H H 9.031 0.00 1 506 138 122 GLU C C 175.964 0.04 1 507 138 122 GLU CA C 56.706 0.02 1 508 138 122 GLU CB C 30.726 0.10 1 509 138 122 GLU N N 119.022 0.04 1 510 139 123 LEU H H 7.885 0.01 1 511 139 123 LEU C C 174.061 0.00 1 512 139 123 LEU CA C 54.052 0.01 1 513 139 123 LEU CB C 45.394 0.09 1 514 139 123 LEU N N 122.413 0.09 1 515 140 124 ILE H H 9.236 0.00 1 516 140 124 ILE C C 173.990 0.00 1 517 140 124 ILE CA C 60.717 0.03 1 518 140 124 ILE CB C 42.091 0.00 1 519 140 124 ILE N N 126.195 0.03 1 520 141 125 LEU H H 8.066 0.00 1 521 141 125 LEU C C 173.042 0.00 1 522 141 125 LEU CA C 54.784 0.00 1 523 141 125 LEU CB C 42.499 0.00 1 524 141 125 LEU N N 128.427 0.02 1 525 142 126 ASP H H 9.455 0.00 1 526 142 126 ASP C C 176.696 0.00 1 527 142 126 ASP CA C 51.686 0.02 1 528 142 126 ASP CB C 42.571 0.00 1 529 142 126 ASP N N 128.785 0.05 1 530 143 127 GLY H H 10.252 0.00 1 531 143 127 GLY C C 173.919 0.04 1 532 143 127 GLY CA C 47.571 0.02 1 533 143 127 GLY N N 114.007 0.04 1 534 144 128 LYS H H 9.387 0.00 1 535 144 128 LYS C C 177.573 0.00 1 536 144 128 LYS CA C 56.828 0.03 1 537 144 128 LYS N N 127.123 0.03 1 538 145 129 ILE H H 7.210 0.00 1 539 145 129 ILE C C 172.080 0.00 1 540 145 129 ILE CA C 61.091 0.01 1 541 145 129 ILE CB C 43.055 0.04 1 542 145 129 ILE N N 116.237 0.07 1 543 146 130 LEU H H 7.847 0.00 1 544 146 130 LEU C C 174.821 0.00 1 545 146 130 LEU CA C 52.934 0.03 1 546 146 130 LEU CB C 40.741 0.00 1 547 146 130 LEU N N 130.105 0.06 1 548 147 131 SER H H 8.449 0.00 1 549 147 131 SER C C 172.577 0.00 1 550 147 131 SER CA C 56.570 0.03 1 551 147 131 SER N N 118.804 0.04 1 552 148 132 VAL H H 7.863 0.01 1 553 148 132 VAL C C 174.328 0.00 1 554 148 132 VAL CA C 60.842 0.03 1 555 148 132 VAL CB C 34.624 0.13 1 556 148 132 VAL N N 125.769 0.05 1 557 149 133 ASP H H 7.925 0.01 1 558 149 133 ASP C C 177.716 0.00 1 559 149 133 ASP CA C 54.007 0.03 1 560 149 133 ASP CB C 41.977 0.02 1 561 149 133 ASP N N 127.240 0.07 1 562 150 134 THR H H 6.486 0.00 1 563 150 134 THR C C 176.171 0.00 1 564 150 134 THR CA C 64.595 0.03 1 565 150 134 THR CB C 68.590 0.00 1 566 150 134 THR N N 120.445 0.05 1 567 151 135 ASN H H 9.678 0.00 1 568 151 135 ASN C C 175.187 0.04 1 569 151 135 ASN CA C 54.861 0.07 1 570 151 135 ASN CB C 37.721 0.00 1 571 151 135 ASN N N 119.758 0.07 1 572 152 136 TYR H H 8.188 0.00 1 573 152 136 TYR C C 174.767 0.00 1 574 152 136 TYR CA C 56.761 0.03 1 575 152 136 TYR CB C 37.426 0.00 1 576 152 136 TYR N N 118.078 0.12 1 577 153 137 ARG H H 7.184 0.01 1 578 153 137 ARG CA C 57.079 0.00 1 579 153 137 ARG CB C 29.577 0.00 1 580 153 137 ARG N N 119.247 0.06 1 581 154 138 GLY C C 171.962 0.00 1 582 155 139 LEU H H 8.237 0.00 1 583 155 139 LEU CA C 53.901 0.00 1 584 155 139 LEU N N 118.892 0.00 1 585 157 141 ILE C C 177.477 0.00 1 586 158 142 ALA H H 8.510 0.00 1 587 158 142 ALA C C 180.703 0.00 1 588 158 142 ALA CA C 55.615 0.04 1 589 158 142 ALA N N 120.686 0.03 1 590 159 143 GLY H H 8.432 0.00 1 591 159 143 GLY C C 175.793 0.00 1 592 159 143 GLY CA C 46.704 0.01 1 593 159 143 GLY N N 106.642 0.01 1 594 160 144 ARG H H 8.069 0.00 1 595 160 144 ARG C C 180.562 0.00 1 596 160 144 ARG CA C 58.552 0.01 1 597 160 144 ARG CB C 28.178 0.00 1 598 160 144 ARG N N 121.199 0.04 1 599 161 145 LEU H H 8.767 0.00 1 600 161 145 LEU C C 179.050 0.00 1 601 161 145 LEU CA C 58.029 0.01 1 602 161 145 LEU N N 121.155 0.03 1 603 162 146 THR H H 7.958 0.00 1 604 162 146 THR C C 175.644 0.00 1 605 162 146 THR CA C 67.370 0.00 1 606 162 146 THR N N 116.293 0.05 1 607 163 147 GLU H H 8.157 0.00 1 608 163 147 GLU C C 179.609 0.00 1 609 163 147 GLU CA C 58.456 0.03 1 610 163 147 GLU CB C 28.284 0.00 1 611 163 147 GLU N N 118.514 0.05 1 612 164 148 ARG H H 7.363 0.00 1 613 164 148 ARG C C 178.885 0.02 1 614 164 148 ARG CA C 56.132 0.06 1 615 164 148 ARG CB C 27.013 0.00 1 616 164 148 ARG N N 119.433 0.04 1 617 165 149 ALA H H 7.189 0.00 1 618 165 149 ALA C C 180.323 0.00 1 619 165 149 ALA CA C 54.681 0.04 1 620 165 149 ALA CB C 17.713 0.00 1 621 165 149 ALA N N 123.544 0.03 1 622 166 150 TYR H H 8.174 0.00 1 623 166 150 TYR C C 179.380 0.00 1 624 166 150 TYR CA C 57.448 0.06 1 625 166 150 TYR CB C 35.421 0.12 1 626 166 150 TYR N N 117.553 0.06 1 627 167 151 GLU H H 7.666 0.00 1 628 167 151 GLU C C 178.919 0.01 1 629 167 151 GLU CA C 59.232 0.01 1 630 167 151 GLU CB C 28.238 0.00 1 631 167 151 GLU N N 118.045 0.10 1 632 168 152 TYR H H 7.510 0.01 1 633 168 152 TYR C C 179.496 0.00 1 634 168 152 TYR CA C 61.897 0.14 1 635 168 152 TYR N N 121.244 0.06 1 636 169 153 MET H H 8.998 0.00 1 637 169 153 MET C C 178.609 0.02 1 638 169 153 MET CA C 60.303 0.01 1 639 169 153 MET N N 120.606 0.04 1 640 170 154 ARG H H 8.401 0.00 1 641 170 154 ARG C C 180.136 0.00 1 642 170 154 ARG CA C 58.889 0.01 1 643 170 154 ARG CB C 28.915 0.00 1 644 170 154 ARG N N 118.244 0.02 1 645 171 155 GLU H H 7.885 0.00 1 646 171 155 GLU C C 177.288 0.00 1 647 171 155 GLU CA C 57.909 0.00 1 648 171 155 GLU CB C 29.041 0.00 1 649 171 155 GLU N N 117.986 0.09 1 650 172 156 ASN H H 7.350 0.00 1 651 172 156 ASN C C 174.077 0.01 1 652 172 156 ASN CA C 53.401 0.04 1 653 172 156 ASN CB C 39.636 0.06 1 654 172 156 ASN N N 113.562 0.03 1 655 173 157 GLY H H 7.565 0.00 1 656 173 157 GLY C C 173.965 0.00 1 657 173 157 GLY CA C 46.823 0.03 1 658 173 157 GLY N N 109.391 0.04 1 659 174 158 ILE H H 8.452 0.00 1 660 174 158 ILE C C 174.575 0.00 1 661 174 158 ILE CA C 61.023 0.02 1 662 174 158 ILE CB C 38.448 0.00 1 663 174 158 ILE N N 120.594 0.02 1 664 175 159 ASN H H 9.488 0.00 1 665 175 159 ASN CA C 54.031 0.06 1 666 175 159 ASN N N 124.291 0.02 1 667 176 160 VAL H H 7.901 0.00 1 668 176 160 VAL C C 171.651 0.00 1 669 176 160 VAL CA C 61.344 0.01 1 670 176 160 VAL CB C 33.225 0.00 1 671 176 160 VAL N N 119.945 0.05 1 672 177 161 TYR H H 8.937 0.00 1 673 177 161 TYR C C 174.392 0.00 1 674 177 161 TYR CA C 52.754 0.02 1 675 177 161 TYR CB C 40.169 0.00 1 676 177 161 TYR N N 131.768 0.05 1 677 178 162 HIS H H 10.117 0.00 1 678 178 162 HIS C C 173.583 0.02 1 679 178 162 HIS CA C 55.116 0.01 1 680 178 162 HIS CB C 32.082 0.00 1 681 178 162 HIS N N 127.823 0.04 1 682 179 163 VAL H H 9.206 0.00 1 683 179 163 VAL C C 173.944 0.02 1 684 179 163 VAL CA C 61.023 0.01 1 685 179 163 VAL CB C 35.361 0.05 1 686 179 163 VAL N N 126.140 0.03 1 687 180 164 LEU H H 9.354 0.00 1 688 180 164 LEU C C 176.563 0.00 1 689 180 164 LEU CA C 56.319 0.03 1 690 180 164 LEU CB C 40.828 0.00 1 691 180 164 LEU N N 131.680 0.08 1 692 181 165 CYS H H 9.111 0.00 1 693 181 165 CYS C C 173.727 0.01 1 694 181 165 CYS CA C 58.385 0.02 1 695 181 165 CYS CB C 29.492 0.00 1 696 181 165 CYS N N 125.221 0.08 1 697 182 166 SER H H 9.156 0.00 1 698 182 166 SER C C 172.326 0.00 1 699 182 166 SER CA C 57.794 0.03 1 700 182 166 SER N N 118.386 0.05 1 701 183 167 SER H H 7.391 0.00 1 702 183 167 SER CA C 54.107 0.00 1 703 183 167 SER CB C 65.033 0.00 1 704 183 167 SER N N 112.806 0.03 1 705 184 168 HIS C C 177.205 0.00 1 706 184 168 HIS CA C 59.737 0.00 1 707 185 169 TYR H H 7.438 0.00 1 708 185 169 TYR C C 179.295 0.00 1 709 185 169 TYR CA C 59.849 0.04 1 710 185 169 TYR N N 114.084 0.04 1 711 186 170 SER H H 7.617 0.01 1 712 186 170 SER C C 175.895 0.00 1 713 186 170 SER CA C 61.128 0.01 1 714 186 170 SER N N 116.153 0.11 1 715 187 171 ALA H H 7.817 0.00 1 716 187 171 ALA C C 179.590 0.00 1 717 187 171 ALA CA C 55.860 0.02 1 718 187 171 ALA CB C 17.059 0.00 1 719 187 171 ALA N N 124.234 0.04 1 720 188 172 ARG H H 7.700 0.00 1 721 188 172 ARG C C 179.767 0.01 1 722 188 172 ARG CA C 58.068 0.05 1 723 188 172 ARG CB C 28.676 0.03 1 724 188 172 ARG N N 116.263 0.07 1 725 189 173 VAL H H 7.574 0.01 1 726 189 173 VAL C C 178.209 0.02 1 727 189 173 VAL CA C 66.332 0.07 1 728 189 173 VAL CB C 30.491 0.05 1 729 189 173 VAL N N 121.159 0.07 1 730 190 174 MET H H 7.775 0.01 1 731 190 174 MET C C 180.064 0.02 1 732 190 174 MET CA C 56.057 0.02 1 733 190 174 MET CB C 26.963 0.00 1 734 190 174 MET N N 115.689 0.09 1 735 191 175 GLU H H 8.546 0.01 1 736 191 175 GLU C C 181.509 0.00 1 737 191 175 GLU CA C 59.087 0.04 1 738 191 175 GLU N N 122.386 0.05 1 739 192 176 LYS H H 8.031 0.00 1 740 192 176 LYS C C 178.870 0.00 1 741 192 176 LYS CA C 58.693 0.05 1 742 192 176 LYS CB C 30.632 0.05 1 743 192 176 LYS N N 121.834 0.08 1 744 193 177 LEU H H 7.703 0.01 1 745 193 177 LEU C C 176.881 0.00 1 746 193 177 LEU CA C 55.037 0.02 1 747 193 177 LEU CB C 41.150 0.00 1 748 193 177 LEU N N 118.705 0.05 1 749 194 178 GLY H H 8.100 0.00 1 750 194 178 GLY CA C 44.975 0.00 1 751 194 178 GLY N N 105.838 0.08 1 752 195 179 PHE C C 174.855 0.00 1 753 195 179 PHE CA C 57.418 0.03 1 754 196 180 HIS H H 9.289 0.00 1 755 196 180 HIS C C 173.579 0.03 1 756 196 180 HIS CA C 53.623 0.03 1 757 196 180 HIS CB C 31.700 0.02 1 758 196 180 HIS N N 115.292 0.09 1 759 197 181 GLU H H 9.064 0.00 1 760 197 181 GLU C C 177.694 0.00 1 761 197 181 GLU CA C 57.050 0.01 1 762 197 181 GLU CB C 34.868 0.00 1 763 197 181 GLU N N 124.196 0.06 1 764 198 182 VAL H H 9.271 0.00 1 765 198 182 VAL C C 174.625 0.02 1 766 198 182 VAL CA C 60.599 0.05 1 767 198 182 VAL N N 118.677 0.05 1 768 199 183 PHE H H 7.379 0.00 1 769 199 183 PHE C C 171.896 0.00 1 770 199 183 PHE CA C 58.092 0.02 1 771 199 183 PHE CB C 40.352 0.05 1 772 199 183 PHE N N 120.082 0.04 1 773 200 184 ARG H H 6.951 0.00 1 774 200 184 ARG C C 172.668 0.01 1 775 200 184 ARG CA C 53.837 0.01 1 776 200 184 ARG CB C 32.423 0.01 1 777 200 184 ARG N N 124.431 0.07 1 778 201 185 MET H H 8.108 0.00 1 779 201 185 MET C C 174.627 0.04 1 780 201 185 MET CA C 53.659 0.02 1 781 201 185 MET CB C 35.228 0.03 1 782 201 185 MET N N 120.262 0.05 1 783 202 186 GLN H H 9.420 0.00 1 784 202 186 GLN C C 178.276 0.01 1 785 202 186 GLN CA C 55.355 0.05 1 786 202 186 GLN CB C 27.822 0.00 1 787 202 186 GLN N N 125.841 0.04 1 788 203 187 PHE H H 8.740 0.01 1 789 203 187 PHE C C 178.935 0.00 1 790 203 187 PHE CA C 60.746 0.03 1 791 203 187 PHE CB C 36.421 0.00 1 792 203 187 PHE N N 123.615 0.05 1 793 204 188 ALA H H 8.704 0.00 1 794 204 188 ALA C C 176.927 0.02 1 795 204 188 ALA CA C 53.813 0.01 1 796 204 188 ALA CB C 17.788 0.00 1 797 204 188 ALA N N 119.173 0.04 1 798 205 189 ASP H H 7.326 0.00 1 799 205 189 ASP C C 175.798 0.04 1 800 205 189 ASP CA C 53.746 0.05 1 801 205 189 ASP CB C 41.356 0.00 1 802 205 189 ASP N N 112.184 0.07 1 803 206 190 TYR H H 7.706 0.01 1 804 206 190 TYR C C 173.170 0.01 1 805 206 190 TYR CA C 56.988 0.03 1 806 206 190 TYR CB C 35.668 0.06 1 807 206 190 TYR N N 123.353 0.03 1 808 207 191 LYS H H 8.456 0.00 1 809 207 191 LYS C C 174.461 0.00 1 810 207 191 LYS CB C 32.247 0.00 1 811 207 191 LYS N N 125.835 0.02 1 812 211 195 GLU C C 175.756 0.00 1 813 212 196 VAL H H 8.856 0.00 1 814 212 196 VAL C C 175.991 0.00 1 815 212 196 VAL CA C 63.972 0.00 1 816 212 196 VAL N N 124.389 0.07 1 817 213 197 VAL H H 7.507 0.00 1 818 213 197 VAL C C 175.052 0.00 1 819 213 197 VAL CA C 63.702 0.09 1 820 213 197 VAL N N 127.252 0.05 1 821 214 198 PHE H H 8.948 0.00 1 822 214 198 PHE C C 175.618 0.00 1 823 214 198 PHE CA C 56.396 0.04 1 824 214 198 PHE N N 116.421 0.04 1 825 215 199 LYS H H 7.800 0.00 1 826 215 199 LYS C C 181.128 0.00 1 827 215 199 LYS CA C 63.284 0.00 1 828 215 199 LYS CB C 32.304 0.00 1 829 215 199 LYS N N 124.938 0.03 1 830 216 200 PRO C C 175.040 0.01 1 831 216 200 PRO CA C 62.374 0.03 1 832 216 200 PRO CB C 31.696 0.00 1 833 217 201 ALA H H 8.358 0.00 1 834 217 201 ALA C C 176.760 0.02 1 835 217 201 ALA CA C 51.611 0.01 1 836 217 201 ALA CB C 18.761 0.01 1 837 217 201 ALA N N 123.039 0.05 1 838 218 202 ALA H H 8.253 0.00 1 839 218 202 ALA C C 176.308 0.00 1 840 218 202 ALA CA C 51.047 0.00 1 841 218 202 ALA CB C 16.105 0.00 1 842 218 202 ALA N N 121.964 0.05 1 843 219 203 PRO C C 174.478 0.00 1 844 219 203 PRO CA C 62.853 0.00 1 845 220 204 HIS H H 8.244 0.00 1 846 220 204 HIS C C 175.833 0.02 1 847 220 204 HIS CA C 56.445 0.05 1 848 220 204 HIS N N 125.418 0.10 1 849 221 205 VAL H H 8.759 0.00 1 850 221 205 VAL C C 176.657 0.00 1 851 221 205 VAL CA C 62.069 0.10 1 852 221 205 VAL CB C 33.234 0.00 1 853 221 205 VAL N N 119.423 0.06 1 854 222 206 GLY H H 7.805 0.00 1 855 222 206 GLY C C 171.043 0.02 1 856 222 206 GLY CA C 45.062 0.03 1 857 222 206 GLY N N 112.342 0.05 1 858 223 207 ILE H H 7.945 0.00 1 859 223 207 ILE C C 175.989 0.00 1 860 223 207 ILE CA C 57.278 0.02 1 861 223 207 ILE CB C 37.710 0.00 1 862 223 207 ILE N N 117.254 0.04 1 863 224 208 GLN H H 8.440 0.00 1 864 224 208 GLN C C 174.321 0.01 1 865 224 208 GLN CA C 54.472 0.02 1 866 224 208 GLN CB C 32.992 0.00 1 867 224 208 GLN N N 123.910 0.04 1 868 225 209 VAL H H 9.174 0.00 1 869 225 209 VAL C C 174.293 0.00 1 870 225 209 VAL CA C 62.212 0.02 1 871 225 209 VAL CB C 30.660 0.02 1 872 225 209 VAL N N 124.885 0.06 1 873 226 210 MET H H 8.998 0.00 1 874 226 210 MET C C 174.618 0.03 1 875 226 210 MET CA C 51.530 0.03 1 876 226 210 MET CB C 31.999 0.01 1 877 226 210 MET N N 126.853 0.05 1 878 227 211 ALA H H 9.373 0.00 1 879 227 211 ALA C C 175.509 0.02 1 880 227 211 ALA CA C 50.279 0.02 1 881 227 211 ALA CB C 22.737 0.00 1 882 227 211 ALA N N 121.843 0.04 1 883 228 212 LYS H H 8.539 0.00 1 884 228 212 LYS C C 174.119 0.01 1 885 228 212 LYS CA C 55.019 0.02 1 886 228 212 LYS CB C 34.486 0.01 1 887 228 212 LYS N N 119.694 0.04 1 888 229 213 GLU H H 8.461 0.00 1 889 229 213 GLU C C 176.044 0.03 1 890 229 213 GLU CA C 54.468 0.04 1 891 229 213 GLU CB C 29.012 0.02 1 892 229 213 GLU N N 125.154 0.05 1 893 230 214 VAL H H 8.259 0.00 1 894 230 214 VAL C C 180.922 0.00 1 895 230 214 VAL CA C 63.404 0.00 1 896 230 214 VAL CB C 32.119 0.00 1 897 230 214 VAL N N 127.567 0.04 1 stop_ save_