data_27070 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; human FKBP25 ; _BMRB_accession_number 27070 _BMRB_flat_file_name bmr27070.str _Entry_type original _Submission_date 2017-04-12 _Accession_date 2017-04-12 _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 Upadhyay Santosh K. . 2 Mackereth Cameron D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 207 "13C chemical shifts" 632 "15N chemical shifts" 207 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-01 update BMRB 'update entry citation' 2017-11-10 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27071 'BTHB domain from human FKBP25' stop_ _Original_release_date 2017-04-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The basic tilted helix bundle domain of the prolyl isomerase FKBP25 is a novel double-stranded RNA binding module. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29036638 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dilworth David . . 2 Upadhyay Santosh K. . 3 Bonnafous Pierre . . 4 Edoo 'Amiirah Bibi' B. . 5 Bourbigot Sarah . . 6 Pesek-Jardim Francy . . 7 Gudavicius Geoff . . 8 Serpa Jason J. . 9 Petrotchenko Evgeniy V. . 10 Borchers Christoph H. . 11 Nelson Christopher J. . 12 Mackereth Cameron D. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 45 _Journal_issue 20 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11989 _Page_last 12004 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FKBP25 _Enzyme_commission_number 5.2.1.8 loop_ _Mol_system_component_name _Mol_label FKBP25 $FKBP25 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_FKBP25 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FKBP25 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 226 _Mol_residue_sequence ; GAMAAAVPQRAWTVEQLRSE QLPKKDIIKFLQEHGSDSFL AEHKLLGNIKNVAKTANKDH LVTAYNHLFETKRFKGTESI SKVSEQVKNVKLNEDKPKET KSEETLDEGPPKYTKSVLKK GDKTNFPKKGDVVHCWYTGT LQDGTVFDTNIQTSAKKKKN AKPLSFKVGVGKVIRGWDEA LLTMSKGEKARLEIEPEWAY GKKGQPDAKIPPNAKLTFEV ELVDID ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 ALA 3 1 MET 4 2 ALA 5 3 ALA 6 4 ALA 7 5 VAL 8 6 PRO 9 7 GLN 10 8 ARG 11 9 ALA 12 10 TRP 13 11 THR 14 12 VAL 15 13 GLU 16 14 GLN 17 15 LEU 18 16 ARG 19 17 SER 20 18 GLU 21 19 GLN 22 20 LEU 23 21 PRO 24 22 LYS 25 23 LYS 26 24 ASP 27 25 ILE 28 26 ILE 29 27 LYS 30 28 PHE 31 29 LEU 32 30 GLN 33 31 GLU 34 32 HIS 35 33 GLY 36 34 SER 37 35 ASP 38 36 SER 39 37 PHE 40 38 LEU 41 39 ALA 42 40 GLU 43 41 HIS 44 42 LYS 45 43 LEU 46 44 LEU 47 45 GLY 48 46 ASN 49 47 ILE 50 48 LYS 51 49 ASN 52 50 VAL 53 51 ALA 54 52 LYS 55 53 THR 56 54 ALA 57 55 ASN 58 56 LYS 59 57 ASP 60 58 HIS 61 59 LEU 62 60 VAL 63 61 THR 64 62 ALA 65 63 TYR 66 64 ASN 67 65 HIS 68 66 LEU 69 67 PHE 70 68 GLU 71 69 THR 72 70 LYS 73 71 ARG 74 72 PHE 75 73 LYS 76 74 GLY 77 75 THR 78 76 GLU 79 77 SER 80 78 ILE 81 79 SER 82 80 LYS 83 81 VAL 84 82 SER 85 83 GLU 86 84 GLN 87 85 VAL 88 86 LYS 89 87 ASN 90 88 VAL 91 89 LYS 92 90 LEU 93 91 ASN 94 92 GLU 95 93 ASP 96 94 LYS 97 95 PRO 98 96 LYS 99 97 GLU 100 98 THR 101 99 LYS 102 100 SER 103 101 GLU 104 102 GLU 105 103 THR 106 104 LEU 107 105 ASP 108 106 GLU 109 107 GLY 110 108 PRO 111 109 PRO 112 110 LYS 113 111 TYR 114 112 THR 115 113 LYS 116 114 SER 117 115 VAL 118 116 LEU 119 117 LYS 120 118 LYS 121 119 GLY 122 120 ASP 123 121 LYS 124 122 THR 125 123 ASN 126 124 PHE 127 125 PRO 128 126 LYS 129 127 LYS 130 128 GLY 131 129 ASP 132 130 VAL 133 131 VAL 134 132 HIS 135 133 CYS 136 134 TRP 137 135 TYR 138 136 THR 139 137 GLY 140 138 THR 141 139 LEU 142 140 GLN 143 141 ASP 144 142 GLY 145 143 THR 146 144 VAL 147 145 PHE 148 146 ASP 149 147 THR 150 148 ASN 151 149 ILE 152 150 GLN 153 151 THR 154 152 SER 155 153 ALA 156 154 LYS 157 155 LYS 158 156 LYS 159 157 LYS 160 158 ASN 161 159 ALA 162 160 LYS 163 161 PRO 164 162 LEU 165 163 SER 166 164 PHE 167 165 LYS 168 166 VAL 169 167 GLY 170 168 VAL 171 169 GLY 172 170 LYS 173 171 VAL 174 172 ILE 175 173 ARG 176 174 GLY 177 175 TRP 178 176 ASP 179 177 GLU 180 178 ALA 181 179 LEU 182 180 LEU 183 181 THR 184 182 MET 185 183 SER 186 184 LYS 187 185 GLY 188 186 GLU 189 187 LYS 190 188 ALA 191 189 ARG 192 190 LEU 193 191 GLU 194 192 ILE 195 193 GLU 196 194 PRO 197 195 GLU 198 196 TRP 199 197 ALA 200 198 TYR 201 199 GLY 202 200 LYS 203 201 LYS 204 202 GLY 205 203 GLN 206 204 PRO 207 205 ASP 208 206 ALA 209 207 LYS 210 208 ILE 211 209 PRO 212 210 PRO 213 211 ASN 214 212 ALA 215 213 LYS 216 214 LEU 217 215 THR 218 216 PHE 219 217 GLU 220 218 VAL 221 219 GLU 222 220 LEU 223 221 VAL 224 222 ASP 225 223 ILE 226 224 ASP 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 UNP Q00688 FKBP3 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FKBP25 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 _Variant _Vector_name $FKBP25 'recombinant technology' . Escherichia coli BL21 pLysY pET-His1a 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 $FKBP25 200 uM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 10 '% v/v' '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 170 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449530 water H 1 protons ppm 4.759 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' 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 FKBP25 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 3 MET H H 8.461 0.02 1 2 1 3 MET C C 175.916 0.2 1 3 1 3 MET CA C 55.445 0.2 1 4 1 3 MET CB C 33.008 0.2 1 5 1 3 MET N N 120.184 0.2 1 6 2 4 ALA H H 8.328 0.02 1 7 2 4 ALA C C 177.159 0.2 1 8 2 4 ALA CA C 52.332 0.2 1 9 2 4 ALA CB C 19.311 0.2 1 10 2 4 ALA N N 126.028 0.2 1 11 3 5 ALA H H 8.194 0.02 1 12 3 5 ALA C C 177.133 0.2 1 13 3 5 ALA CA C 52.265 0.2 1 14 3 5 ALA CB C 19.277 0.2 1 15 3 5 ALA N N 123.714 0.2 1 16 4 6 ALA H H 8.194 0.02 1 17 4 6 ALA C C 177.128 0.2 1 18 4 6 ALA CA C 52.133 0.2 1 19 4 6 ALA CB C 19.169 0.2 1 20 4 6 ALA N N 123.623 0.2 1 21 5 7 VAL H H 7.877 0.02 1 22 5 7 VAL C C 173.986 0.2 1 23 5 7 VAL CA C 59.281 0.2 1 24 5 7 VAL CB C 32.345 0.2 1 25 5 7 VAL N N 120.242 0.2 1 26 6 8 PRO C C 175.353 0.2 1 27 6 8 PRO CA C 62.502 0.2 1 28 6 8 PRO CB C 31.729 0.2 1 29 7 9 GLN H H 8.183 0.02 1 30 7 9 GLN C C 175.747 0.2 1 31 7 9 GLN CA C 54.729 0.2 1 32 7 9 GLN CB C 30.087 0.2 1 33 7 9 GLN N N 118.341 0.2 1 34 8 10 ARG H H 8.372 0.02 1 35 8 10 ARG C C 175.427 0.2 1 36 8 10 ARG CA C 55.954 0.2 1 37 8 10 ARG CB C 28.882 0.2 1 38 8 10 ARG N N 124.752 0.2 1 39 9 11 ALA H H 7.257 0.02 1 40 9 11 ALA C C 177.12 0.2 1 41 9 11 ALA CA C 53.012 0.2 1 42 9 11 ALA CB C 19.291 0.2 1 43 9 11 ALA N N 128.475 0.2 1 44 10 12 TRP H H 7.132 0.02 1 45 10 12 TRP C C 177.058 0.2 1 46 10 12 TRP CA C 55.532 0.2 1 47 10 12 TRP CB C 30.998 0.2 1 48 10 12 TRP N N 114.998 0.2 1 49 11 13 THR H H 8.848 0.02 1 50 11 13 THR C C 175.63 0.2 1 51 11 13 THR CA C 60.176 0.2 1 52 11 13 THR CB C 71.082 0.2 1 53 11 13 THR N N 114.531 0.2 1 54 12 14 VAL H H 8.909 0.02 1 55 12 14 VAL C C 177.064 0.2 1 56 12 14 VAL CA C 67.477 0.2 1 57 12 14 VAL CB C 31.283 0.2 1 58 12 14 VAL N N 120.477 0.2 1 59 13 15 GLU H H 8.405 0.02 1 60 13 15 GLU C C 179.764 0.2 1 61 13 15 GLU CA C 60.354 0.2 1 62 13 15 GLU CB C 28.733 0.2 1 63 13 15 GLU N N 118.378 0.2 1 64 14 16 GLN H H 7.616 0.02 1 65 14 16 GLN C C 179.076 0.2 1 66 14 16 GLN CA C 58.916 0.2 1 67 14 16 GLN CB C 28.756 0.2 1 68 14 16 GLN N N 118.859 0.2 1 69 15 17 LEU H H 8.134 0.02 1 70 15 17 LEU C C 178.138 0.2 1 71 15 17 LEU CA C 57.648 0.2 1 72 15 17 LEU CB C 43.362 0.2 1 73 15 17 LEU N N 118.386 0.2 1 74 16 18 ARG H H 7.653 0.02 1 75 16 18 ARG C C 176.17 0.2 1 76 16 18 ARG CA C 57.682 0.2 1 77 16 18 ARG CB C 30.543 0.2 1 78 16 18 ARG N N 113.68 0.2 1 79 17 19 SER H H 7.269 0.02 1 80 17 19 SER C C 175.46 0.2 1 81 17 19 SER CA C 58.306 0.2 1 82 17 19 SER CB C 64.226 0.2 1 83 17 19 SER N N 115.873 0.2 1 84 18 20 GLU H H 8.943 0.02 1 85 18 20 GLU C C 177.534 0.2 1 86 18 20 GLU CA C 57.707 0.2 1 87 18 20 GLU CB C 29.081 0.2 1 88 18 20 GLU N N 124.357 0.2 1 89 19 21 GLN H H 8.047 0.02 1 90 19 21 GLN C C 175.021 0.2 1 91 19 21 GLN CA C 57.111 0.2 1 92 19 21 GLN CB C 28.52 0.2 1 93 19 21 GLN N N 116.05 0.2 1 94 20 22 LEU H H 7.133 0.02 1 95 20 22 LEU C C 173.046 0.2 1 96 20 22 LEU CA C 51.091 0.2 1 97 20 22 LEU CB C 42.403 0.2 1 98 20 22 LEU N N 123.338 0.2 1 99 21 23 PRO C C 177.85 0.2 1 100 21 23 PRO CA C 62.377 0.2 1 101 21 23 PRO CB C 32.695 0.2 1 102 22 24 LYS H H 8.83 0.02 1 103 22 24 LYS C C 179.133 0.2 1 104 22 24 LYS CA C 61.102 0.2 1 105 22 24 LYS CB C 32.423 0.2 1 106 22 24 LYS N N 121.453 0.2 1 107 23 25 LYS H H 8.904 0.02 1 108 23 25 LYS C C 176.928 0.2 1 109 23 25 LYS CA C 60.142 0.2 1 110 23 25 LYS CB C 31.538 0.2 1 111 23 25 LYS N N 115.512 0.2 1 112 24 26 ASP H H 7.245 0.02 1 113 24 26 ASP C C 179.354 0.2 1 114 24 26 ASP CA C 57.641 0.2 1 115 24 26 ASP CB C 40.097 0.2 1 116 24 26 ASP N N 120.545 0.2 1 117 25 27 ILE H H 7.225 0.02 1 118 25 27 ILE C C 178.149 0.2 1 119 25 27 ILE CA C 65.286 0.2 1 120 25 27 ILE CB C 38.542 0.2 1 121 25 27 ILE N N 120.847 0.2 1 122 26 28 ILE H H 8.389 0.02 1 123 26 28 ILE C C 177.141 0.2 1 124 26 28 ILE CA C 66.599 0.2 1 125 26 28 ILE CB C 38.205 0.2 1 126 26 28 ILE N N 118.94 0.2 1 127 27 29 LYS H H 8.529 0.02 1 128 27 29 LYS C C 178.106 0.2 1 129 27 29 LYS CA C 60.434 0.2 1 130 27 29 LYS CB C 32.777 0.2 1 131 27 29 LYS N N 119.868 0.2 1 132 28 30 PHE H H 7.692 0.02 1 133 28 30 PHE C C 178.346 0.2 1 134 28 30 PHE CA C 62.562 0.2 1 135 28 30 PHE CB C 39.578 0.2 1 136 28 30 PHE N N 118.241 0.2 1 137 29 31 LEU H H 8.717 0.02 1 138 29 31 LEU C C 178.749 0.2 1 139 29 31 LEU CA C 58.822 0.2 1 140 29 31 LEU CB C 41.859 0.2 1 141 29 31 LEU N N 119.791 0.2 1 142 30 32 GLN H H 9.103 0.02 1 143 30 32 GLN C C 178.032 0.2 1 144 30 32 GLN CA C 59.26 0.2 1 145 30 32 GLN CB C 28.02 0.2 1 146 30 32 GLN N N 116.812 0.2 1 147 31 33 GLU H H 7.958 0.02 1 148 31 33 GLU C C 177.69 0.2 1 149 31 33 GLU CA C 57.964 0.2 1 150 31 33 GLU CB C 29.986 0.2 1 151 31 33 GLU N N 116.9 0.2 1 152 32 34 HIS H H 7.361 0.02 1 153 32 34 HIS C C 175.819 0.2 1 154 32 34 HIS CA C 57.503 0.2 1 155 32 34 HIS CB C 31.559 0.2 1 156 32 34 HIS N N 111.837 0.2 1 157 33 35 GLY H H 8.796 0.02 1 158 33 35 GLY C C 172.083 0.2 1 159 33 35 GLY CA C 44.598 0.2 1 160 33 35 GLY N N 110.919 0.2 1 161 34 36 SER H H 8.283 0.02 1 162 34 36 SER C C 174.028 0.2 1 163 34 36 SER CA C 57.877 0.2 1 164 34 36 SER CB C 64.224 0.2 1 165 34 36 SER N N 117.826 0.2 1 166 35 37 ASP H H 9.02 0.02 1 167 35 37 ASP C C 179.007 0.2 1 168 35 37 ASP CA C 58.589 0.2 1 169 35 37 ASP CB C 39.923 0.2 1 170 35 37 ASP N N 122.483 0.2 1 171 36 38 SER H H 8.587 0.02 1 172 36 38 SER C C 176.78 0.2 1 173 36 38 SER CA C 61.051 0.2 1 174 36 38 SER CB C 61.439 0.2 1 175 36 38 SER N N 114.776 0.2 1 176 37 39 PHE H H 7.882 0.02 1 177 37 39 PHE C C 177.821 0.2 1 178 37 39 PHE CA C 62.305 0.2 1 179 37 39 PHE CB C 39.337 0.2 1 180 37 39 PHE N N 127.013 0.2 1 181 38 40 LEU H H 8.86 0.02 1 182 38 40 LEU C C 179.781 0.2 1 183 38 40 LEU CA C 58.11 0.2 1 184 38 40 LEU CB C 41.974 0.2 1 185 38 40 LEU N N 121.064 0.2 1 186 39 41 ALA H H 8.583 0.02 1 187 39 41 ALA C C 181.96 0.2 1 188 39 41 ALA CA C 55.33 0.2 1 189 39 41 ALA CB C 17.971 0.2 1 190 39 41 ALA N N 122.778 0.2 1 191 40 42 GLU H H 8.059 0.02 1 192 40 42 GLU C C 177.673 0.2 1 193 40 42 GLU CA C 59.078 0.2 1 194 40 42 GLU CB C 29.614 0.2 1 195 40 42 GLU N N 120.032 0.2 1 196 41 43 HIS H H 7.119 0.02 1 197 41 43 HIS C C 172.735 0.2 1 198 41 43 HIS CA C 57.229 0.2 1 199 41 43 HIS CB C 29.777 0.2 1 200 41 43 HIS N N 113.546 0.2 1 201 42 44 LYS H H 7.833 0.02 1 202 42 44 LYS C C 176.758 0.2 1 203 42 44 LYS CA C 57.676 0.2 1 204 42 44 LYS CB C 28.358 0.2 1 205 42 44 LYS N N 117.251 0.2 1 206 43 45 LEU H H 8.326 0.02 1 207 43 45 LEU C C 175.276 0.2 1 208 43 45 LEU CA C 53.319 0.2 1 209 43 45 LEU CB C 44.193 0.2 1 210 43 45 LEU N N 115.963 0.2 1 211 44 46 LEU H H 7.411 0.02 1 212 44 46 LEU C C 176.801 0.2 1 213 44 46 LEU CA C 54.685 0.2 1 214 44 46 LEU CB C 42.919 0.2 1 215 44 46 LEU N N 118.948 0.2 1 216 45 47 GLY H H 8.314 0.02 1 217 45 47 GLY C C 172.843 0.2 1 218 45 47 GLY CA C 43.649 0.2 1 219 45 47 GLY N N 110.009 0.2 1 220 46 48 ASN H H 8.505 0.02 1 221 46 48 ASN C C 177.52 0.2 1 222 46 48 ASN CA C 53.993 0.2 1 223 46 48 ASN CB C 39.316 0.2 1 224 46 48 ASN N N 118.488 0.2 1 225 47 49 ILE H H 8.921 0.02 1 226 47 49 ILE C C 176.269 0.2 1 227 47 49 ILE CA C 66.178 0.2 1 228 47 49 ILE CB C 37.86 0.2 1 229 47 49 ILE N N 127.053 0.2 1 230 48 50 LYS H H 8.196 0.02 1 231 48 50 LYS C C 178.839 0.2 1 232 48 50 LYS CA C 59.548 0.2 1 233 48 50 LYS CB C 32.087 0.2 1 234 48 50 LYS N N 119.104 0.2 1 235 49 51 ASN H H 7.643 0.02 1 236 49 51 ASN C C 178.079 0.2 1 237 49 51 ASN CA C 55.541 0.2 1 238 49 51 ASN CB C 38.349 0.2 1 239 49 51 ASN N N 117.306 0.2 1 240 50 52 VAL H H 8.345 0.02 1 241 50 52 VAL C C 178.087 0.2 1 242 50 52 VAL CA C 65.703 0.2 1 243 50 52 VAL CB C 32.045 0.2 1 244 50 52 VAL N N 121.785 0.2 1 245 51 53 ALA H H 8.492 0.02 1 246 51 53 ALA C C 177.847 0.2 1 247 51 53 ALA CA C 54.963 0.2 1 248 51 53 ALA CB C 18.189 0.2 1 249 51 53 ALA N N 119.565 0.2 1 250 52 54 LYS H H 7.225 0.02 1 251 52 54 LYS C C 178.398 0.2 1 252 52 54 LYS CA C 58.631 0.2 1 253 52 54 LYS CB C 33.008 0.2 1 254 52 54 LYS N N 114.202 0.2 1 255 53 55 THR H H 7.422 0.02 1 256 53 55 THR C C 174.281 0.2 1 257 53 55 THR CA C 62.044 0.2 1 258 53 55 THR CB C 69.703 0.2 1 259 53 55 THR N N 107.245 0.2 1 260 54 56 ALA H H 7.834 0.02 1 261 54 56 ALA C C 175.843 0.2 1 262 54 56 ALA CA C 51.435 0.2 1 263 54 56 ALA CB C 19.832 0.2 1 264 54 56 ALA N N 125.902 0.2 1 265 55 57 ASN H H 8.483 0.02 1 266 55 57 ASN C C 175.957 0.2 1 267 55 57 ASN CA C 51.268 0.2 1 268 55 57 ASN CB C 39.662 0.2 1 269 55 57 ASN N N 119.683 0.2 1 270 56 58 LYS C C 177.881 0.2 1 271 56 58 LYS CA C 60.102 0.2 1 272 56 58 LYS CB C 32.06 0.2 1 273 57 59 ASP H H 8.364 0.02 1 274 57 59 ASP C C 178.89 0.2 1 275 57 59 ASP CA C 58.25 0.2 1 276 57 59 ASP CB C 40.105 0.2 1 277 57 59 ASP N N 118.606 0.2 1 278 58 60 HIS H H 8.058 0.02 1 279 58 60 HIS C C 178.471 0.2 1 280 58 60 HIS CA C 59.139 0.2 1 281 58 60 HIS CB C 31.504 0.2 1 282 58 60 HIS N N 120.077 0.2 1 283 59 61 LEU H H 7.908 0.02 1 284 59 61 LEU C C 178.241 0.2 1 285 59 61 LEU CA C 57.564 0.2 1 286 59 61 LEU CB C 41.382 0.2 1 287 59 61 LEU N N 118.62 0.2 1 288 60 62 VAL H H 8.714 0.02 1 289 60 62 VAL C C 177.648 0.2 1 290 60 62 VAL CA C 67.481 0.2 1 291 60 62 VAL CB C 31.693 0.2 1 292 60 62 VAL N N 121.115 0.2 1 293 61 63 THR H H 7.853 0.02 1 294 61 63 THR C C 176.51 0.2 1 295 61 63 THR CA C 66.742 0.2 1 296 61 63 THR CB C 68.382 0.2 1 297 61 63 THR N N 115.756 0.2 1 298 62 64 ALA H H 8.237 0.02 1 299 62 64 ALA C C 178.13 0.2 1 300 62 64 ALA CA C 55.675 0.2 1 301 62 64 ALA CB C 18.512 0.2 1 302 62 64 ALA N N 123.176 0.2 1 303 63 65 TYR H H 8.8 0.02 1 304 63 65 TYR C C 176.803 0.2 1 305 63 65 TYR CA C 62.793 0.2 1 306 63 65 TYR CB C 39.24 0.2 1 307 63 65 TYR N N 120.133 0.2 1 308 64 66 ASN H H 8.629 0.02 1 309 64 66 ASN C C 178.892 0.2 1 310 64 66 ASN CA C 56.305 0.2 1 311 64 66 ASN CB C 37.372 0.2 1 312 64 66 ASN N N 116.329 0.2 1 313 65 67 HIS H H 8.974 0.02 1 314 65 67 HIS C C 178.577 0.2 1 315 65 67 HIS CA C 58.325 0.2 1 316 65 67 HIS CB C 30.499 0.2 1 317 65 67 HIS N N 119.782 0.2 1 318 66 68 LEU H H 8.609 0.02 1 319 66 68 LEU C C 177.096 0.2 1 320 66 68 LEU CA C 58.608 0.2 1 321 66 68 LEU CB C 39.306 0.2 1 322 66 68 LEU N N 124.168 0.2 1 323 67 69 PHE H H 6.954 0.02 1 324 67 69 PHE C C 177.872 0.2 1 325 67 69 PHE CA C 62.588 0.2 1 326 67 69 PHE CB C 39.587 0.2 1 327 67 69 PHE N N 113.237 0.2 1 328 68 70 GLU H H 8.408 0.02 1 329 68 70 GLU C C 178.57 0.2 1 330 68 70 GLU CA C 59.237 0.2 1 331 68 70 GLU CB C 30.532 0.2 1 332 68 70 GLU N N 119.852 0.2 1 333 69 71 THR H H 7.904 0.02 1 334 69 71 THR C C 175.038 0.2 1 335 69 71 THR CA C 62.533 0.2 1 336 69 71 THR CB C 70.878 0.2 1 337 69 71 THR N N 106.189 0.2 1 338 70 72 LYS H H 7.682 0.02 1 339 70 72 LYS C C 176.942 0.2 1 340 70 72 LYS CA C 56.921 0.2 1 341 70 72 LYS CB C 28.466 0.2 1 342 70 72 LYS N N 117.561 0.2 1 343 71 73 ARG H H 6.299 0.02 1 344 71 73 ARG C C 174.62 0.2 1 345 71 73 ARG CA C 55.367 0.2 1 346 71 73 ARG CB C 28.374 0.2 1 347 71 73 ARG N N 121.867 0.2 1 348 72 74 PHE H H 7.145 0.02 1 349 72 74 PHE C C 177.472 0.2 1 350 72 74 PHE CA C 56.171 0.2 1 351 72 74 PHE CB C 40.492 0.2 1 352 72 74 PHE N N 117.733 0.2 1 353 73 75 LYS H H 8.128 0.02 1 354 73 75 LYS C C 177.121 0.2 1 355 73 75 LYS CA C 58.315 0.2 1 356 73 75 LYS CB C 32.324 0.2 1 357 73 75 LYS N N 123.28 0.2 1 358 74 76 GLY H H 8.966 0.02 1 359 74 76 GLY C C 175.168 0.2 1 360 74 76 GLY CA C 45.499 0.2 1 361 74 76 GLY N N 112.228 0.2 1 362 75 77 THR H H 7.884 0.02 1 363 75 77 THR C C 174.889 0.2 1 364 75 77 THR CA C 62.298 0.2 1 365 75 77 THR CB C 70.222 0.2 1 366 75 77 THR N N 110.871 0.2 1 367 76 78 GLU H H 8.487 0.02 1 368 76 78 GLU C C 176.501 0.2 1 369 76 78 GLU CA C 56.912 0.2 1 370 76 78 GLU CB C 30.358 0.2 1 371 76 78 GLU N N 122.518 0.2 1 372 77 79 SER H H 8.435 0.02 1 373 77 79 SER C C 174.547 0.2 1 374 77 79 SER CA C 58.385 0.2 1 375 77 79 SER CB C 63.767 0.2 1 376 77 79 SER N N 117.185 0.2 1 377 78 80 ILE H H 8.179 0.02 1 378 78 80 ILE C C 176.379 0.2 1 379 78 80 ILE CA C 61.354 0.2 1 380 78 80 ILE CB C 38.79 0.2 1 381 78 80 ILE N N 122.606 0.2 1 382 79 81 SER H H 8.378 0.02 1 383 79 81 SER C C 174.498 0.2 1 384 79 81 SER CA C 58.356 0.2 1 385 79 81 SER CB C 63.841 0.2 1 386 79 81 SER N N 119.87 0.2 1 387 80 82 LYS H H 8.375 0.02 1 388 80 82 LYS C C 176.743 0.2 1 389 80 82 LYS CA C 56.379 0.2 1 390 80 82 LYS CB C 33.009 0.2 1 391 80 82 LYS N N 124.05 0.2 1 392 81 83 VAL H H 8.159 0.02 1 393 81 83 VAL C C 176.369 0.2 1 394 81 83 VAL CA C 62.734 0.2 1 395 81 83 VAL CB C 32.766 0.2 1 396 81 83 VAL N N 121.478 0.2 1 397 82 84 SER H H 8.351 0.02 1 398 82 84 SER C C 174.67 0.2 1 399 82 84 SER CA C 58.61 0.2 1 400 82 84 SER CB C 63.74 0.2 1 401 82 84 SER N N 119.204 0.2 1 402 83 85 GLU H H 8.399 0.02 1 403 83 85 GLU C C 176.519 0.2 1 404 83 85 GLU CA C 56.877 0.2 1 405 83 85 GLU CB C 30.326 0.2 1 406 83 85 GLU N N 123.071 0.2 1 407 84 86 GLN H H 8.338 0.02 1 408 84 86 GLN C C 176.167 0.2 1 409 84 86 GLN CA C 56.278 0.2 1 410 84 86 GLN CB C 29.268 0.2 1 411 84 86 GLN N N 121.21 0.2 1 412 85 87 VAL H H 8.119 0.02 1 413 85 87 VAL C C 176.193 0.2 1 414 85 87 VAL CA C 62.759 0.2 1 415 85 87 VAL CB C 32.463 0.2 1 416 85 87 VAL N N 121.521 0.2 1 417 86 88 LYS H H 8.322 0.02 1 418 86 88 LYS C C 176.181 0.2 1 419 86 88 LYS CA C 56.437 0.2 1 420 86 88 LYS CB C 33.129 0.2 1 421 86 88 LYS N N 124.661 0.2 1 422 87 89 ASN H H 8.428 0.02 1 423 87 89 ASN C C 175.085 0.2 1 424 87 89 ASN CA C 53.267 0.2 1 425 87 89 ASN CB C 38.869 0.2 1 426 87 89 ASN N N 120.186 0.2 1 427 88 90 VAL H H 8.056 0.02 1 428 88 90 VAL C C 175.925 0.2 1 429 88 90 VAL CA C 62.336 0.2 1 430 88 90 VAL CB C 32.693 0.2 1 431 88 90 VAL N N 120.733 0.2 1 432 89 91 LYS H H 8.363 0.02 1 433 89 91 LYS C C 176.388 0.2 1 434 89 91 LYS CA C 56.202 0.2 1 435 89 91 LYS CB C 32.834 0.2 1 436 89 91 LYS N N 125.443 0.2 1 437 90 92 LEU H H 8.28 0.02 1 438 90 92 LEU C C 177.076 0.2 1 439 90 92 LEU CA C 55.264 0.2 1 440 90 92 LEU CB C 42.493 0.2 1 441 90 92 LEU N N 123.96 0.2 1 442 91 93 ASN H H 8.433 0.02 1 443 91 93 ASN C C 175.119 0.2 1 444 91 93 ASN CA C 53.403 0.2 1 445 91 93 ASN CB C 38.95 0.2 1 446 91 93 ASN N N 119.22 0.2 1 447 92 94 GLU H H 8.356 0.02 1 448 92 94 GLU C C 176 0.2 1 449 92 94 GLU CA C 56.569 0.2 1 450 92 94 GLU CB C 30.458 0.2 1 451 92 94 GLU N N 121.48 0.2 1 452 93 95 ASP H H 8.401 0.02 1 453 93 95 ASP C C 175.804 0.2 1 454 93 95 ASP CA C 54.417 0.2 1 455 93 95 ASP CB C 41.123 0.2 1 456 93 95 ASP N N 121.751 0.2 1 457 94 96 LYS H H 8.12 0.02 1 458 94 96 LYS C C 174.312 0.2 1 459 94 96 LYS CA C 54.191 0.2 1 460 94 96 LYS CB C 32.516 0.2 1 461 94 96 LYS N N 122.594 0.2 1 462 95 97 PRO C C 176.961 0.2 1 463 95 97 PRO CA C 63.159 0.2 1 464 95 97 PRO CB C 32.25 0.2 1 465 96 98 LYS H H 8.473 0.02 1 466 96 98 LYS C C 176.727 0.2 1 467 96 98 LYS CA C 56.532 0.2 1 468 96 98 LYS CB C 33.085 0.2 1 469 96 98 LYS N N 122.226 0.2 1 470 97 99 GLU H H 8.491 0.02 1 471 97 99 GLU C C 176.528 0.2 1 472 97 99 GLU CA C 56.57 0.2 1 473 97 99 GLU CB C 30.491 0.2 1 474 97 99 GLU N N 122.294 0.2 1 475 98 100 THR H H 8.266 0.02 1 476 98 100 THR C C 174.323 0.2 1 477 98 100 THR CA C 61.872 0.2 1 478 98 100 THR CB C 69.949 0.2 1 479 98 100 THR N N 116.241 0.2 1 480 99 101 LYS H H 8.452 0.02 1 481 99 101 LYS C C 176.464 0.2 1 482 99 101 LYS CA C 56.205 0.2 1 483 99 101 LYS CB C 33.133 0.2 1 484 99 101 LYS N N 124.649 0.2 1 485 100 102 SER H H 8.464 0.02 1 486 100 102 SER C C 174.628 0.2 1 487 100 102 SER CA C 58.496 0.2 1 488 100 102 SER CB C 63.785 0.2 1 489 100 102 SER N N 118.348 0.2 1 490 101 103 GLU H H 8.583 0.02 1 491 101 103 GLU C C 176.439 0.2 1 492 101 103 GLU CA C 56.722 0.2 1 493 101 103 GLU CB C 30.142 0.2 1 494 101 103 GLU N N 123.067 0.2 1 495 102 104 GLU H H 8.413 0.02 1 496 102 104 GLU C C 176.5 0.2 1 497 102 104 GLU CA C 56.649 0.2 1 498 102 104 GLU CB C 30.475 0.2 1 499 102 104 GLU N N 122.084 0.2 1 500 103 105 THR H H 8.265 0.02 1 501 103 105 THR C C 174.322 0.2 1 502 103 105 THR CA C 61.859 0.2 1 503 103 105 THR CB C 69.683 0.2 1 504 103 105 THR N N 116.443 0.2 1 505 104 106 LEU H H 8.349 0.02 1 506 104 106 LEU C C 176.864 0.2 1 507 104 106 LEU CA C 55.034 0.2 1 508 104 106 LEU CB C 42.436 0.2 1 509 104 106 LEU N N 125.465 0.2 1 510 105 107 ASP H H 8.38 0.02 1 511 105 107 ASP C C 176.13 0.2 1 512 105 107 ASP CA C 54.237 0.2 1 513 105 107 ASP CB C 41.172 0.2 1 514 105 107 ASP N N 122.161 0.2 1 515 106 108 GLU C C 176.761 0.2 1 516 106 108 GLU CA C 56.532 0.2 1 517 106 108 GLU CB C 30.651 0.2 1 518 107 109 GLY H H 8.303 0.02 1 519 107 109 GLY C C 171.094 0.2 1 520 107 109 GLY CA C 44.555 0.2 1 521 107 109 GLY N N 109.99 0.2 1 522 110 112 LYS C C 174.024 0.2 1 523 110 112 LYS CA C 54.717 0.2 1 524 110 112 LYS CB C 29.916 0.2 1 525 111 113 TYR H H 6.871 0.02 1 526 111 113 TYR C C 173.341 0.2 1 527 111 113 TYR CA C 56.09 0.2 1 528 111 113 TYR CB C 42.205 0.2 1 529 111 113 TYR N N 111.822 0.2 1 530 112 114 THR H H 8.829 0.02 1 531 112 114 THR C C 173.179 0.2 1 532 112 114 THR CA C 60.905 0.2 1 533 112 114 THR CB C 71.535 0.2 1 534 112 114 THR N N 112.573 0.2 1 535 113 115 LYS H H 9.142 0.02 1 536 113 115 LYS C C 175.2 0.2 1 537 113 115 LYS CA C 55.331 0.2 1 538 113 115 LYS CB C 36.442 0.2 1 539 113 115 LYS N N 125.74 0.2 1 540 114 116 SER H H 9.121 0.02 1 541 114 116 SER C C 173.855 0.2 1 542 114 116 SER CA C 56.797 0.2 1 543 114 116 SER CB C 64.624 0.2 1 544 114 116 SER N N 122.919 0.2 1 545 115 117 VAL H H 9.267 0.02 1 546 115 117 VAL C C 175.712 0.2 1 547 115 117 VAL CA C 65.304 0.2 1 548 115 117 VAL CB C 31.677 0.2 1 549 115 117 VAL N N 127.904 0.2 1 550 116 118 LEU H H 9.184 0.02 1 551 116 118 LEU C C 177.319 0.2 1 552 116 118 LEU CA C 55.727 0.2 1 553 116 118 LEU CB C 42.245 0.2 1 554 116 118 LEU N N 130.074 0.2 1 555 117 119 LYS H H 8.13 0.02 1 556 117 119 LYS C C 174.745 0.2 1 557 117 119 LYS CA C 55.909 0.2 1 558 117 119 LYS CB C 35.906 0.2 1 559 117 119 LYS N N 121.234 0.2 1 560 118 120 LYS H H 8.742 0.02 1 561 118 120 LYS C C 177.438 0.2 1 562 118 120 LYS CA C 57.74 0.2 1 563 118 120 LYS CB C 33.245 0.2 1 564 118 120 LYS N N 126.121 0.2 1 565 119 121 GLY H H 8.93 0.02 1 566 119 121 GLY C C 173.619 0.2 1 567 119 121 GLY CA C 44.059 0.2 1 568 119 121 GLY N N 109.882 0.2 1 569 120 122 ASP H H 8.301 0.02 1 570 120 122 ASP C C 178.479 0.2 1 571 120 122 ASP CA C 54.624 0.2 1 572 120 122 ASP CB C 40.42 0.2 1 573 120 122 ASP N N 117.591 0.2 1 574 121 123 LYS H H 8.866 0.02 1 575 121 123 LYS C C 174.972 0.2 1 576 121 123 LYS CA C 58.15 0.2 1 577 121 123 LYS CB C 30.673 0.2 1 578 121 123 LYS N N 116.048 0.2 1 579 122 124 THR H H 9.037 0.02 1 580 122 124 THR C C 172.785 0.2 1 581 122 124 THR CA C 64.734 0.2 1 582 122 124 THR CB C 72.154 0.2 1 583 122 124 THR N N 114.781 0.2 1 584 123 125 ASN H H 9.831 0.02 1 585 123 125 ASN C C 171.661 0.2 1 586 123 125 ASN CA C 53.631 0.2 1 587 123 125 ASN CB C 39.618 0.2 1 588 123 125 ASN N N 125.266 0.2 1 589 124 126 PHE H H 8.442 0.02 1 590 124 126 PHE C C 176.801 0.2 1 591 124 126 PHE CA C 54.324 0.2 1 592 124 126 PHE CB C 41.233 0.2 1 593 124 126 PHE N N 122.442 0.2 1 594 125 127 PRO C C 174.293 0.2 1 595 125 127 PRO CA C 62.46 0.2 1 596 125 127 PRO CB C 32.688 0.2 1 597 126 128 LYS H H 9.159 0.02 1 598 126 128 LYS C C 175.678 0.2 1 599 126 128 LYS CA C 53.452 0.2 1 600 126 128 LYS CB C 34.509 0.2 1 601 126 128 LYS N N 121.42 0.2 1 602 127 129 LYS H H 8.483 0.02 1 603 127 129 LYS C C 177.743 0.2 1 604 127 129 LYS CA C 59.305 0.2 1 605 127 129 LYS CB C 31.892 0.2 1 606 127 129 LYS N N 119.144 0.2 1 607 128 130 GLY H H 9.24 0.02 1 608 128 130 GLY C C 174.09 0.2 1 609 128 130 GLY CA C 45.165 0.2 1 610 128 130 GLY N N 114.932 0.2 1 611 129 131 ASP H H 8.318 0.02 1 612 129 131 ASP C C 174.977 0.2 1 613 129 131 ASP CA C 54.887 0.2 1 614 129 131 ASP CB C 41.405 0.2 1 615 129 131 ASP N N 121.998 0.2 1 616 130 132 VAL H H 8.601 0.02 1 617 130 132 VAL C C 175.315 0.2 1 618 130 132 VAL CA C 62.515 0.2 1 619 130 132 VAL CB C 31.919 0.2 1 620 130 132 VAL N N 120.929 0.2 1 621 131 133 VAL H H 8.035 0.02 1 622 131 133 VAL C C 173.404 0.2 1 623 131 133 VAL CA C 58.055 0.2 1 624 131 133 VAL CB C 33.625 0.2 1 625 131 133 VAL N N 117.397 0.2 1 626 132 134 HIS H H 7.365 0.02 1 627 132 134 HIS C C 176.747 0.2 1 628 132 134 HIS CA C 54.123 0.2 1 629 132 134 HIS CB C 33.289 0.2 1 630 132 134 HIS N N 117.147 0.2 1 631 133 135 CYS H H 9.573 0.02 1 632 133 135 CYS C C 175.028 0.2 1 633 133 135 CYS CA C 57.389 0.2 1 634 133 135 CYS CB C 33.334 0.2 1 635 133 135 CYS N N 117.984 0.2 1 636 134 136 TRP H H 8.717 0.02 1 637 134 136 TRP C C 176.415 0.2 1 638 134 136 TRP CA C 55.49 0.2 1 639 134 136 TRP CB C 32.883 0.2 1 640 134 136 TRP N N 124.133 0.2 1 641 135 137 TYR H H 9.87 0.02 1 642 135 137 TYR C C 173.279 0.2 1 643 135 137 TYR CA C 57.117 0.2 1 644 135 137 TYR CB C 43.827 0.2 1 645 135 137 TYR N N 121.343 0.2 1 646 136 138 THR H H 8.593 0.02 1 647 136 138 THR C C 173.127 0.2 1 648 136 138 THR CA C 63.423 0.2 1 649 136 138 THR CB C 72.012 0.2 1 650 136 138 THR N N 115.856 0.2 1 651 137 139 GLY H H 9.355 0.02 1 652 137 139 GLY C C 171.851 0.2 1 653 137 139 GLY CA C 45.039 0.2 1 654 137 139 GLY N N 118.046 0.2 1 655 138 140 THR H H 9.413 0.02 1 656 138 140 THR C C 175.366 0.2 1 657 138 140 THR CA C 59.423 0.2 1 658 138 140 THR N N 117.64 0.2 1 659 139 141 LEU H H 8.668 0.02 1 660 139 141 LEU C C 180.473 0.2 1 661 139 141 LEU CA C 53.668 0.2 1 662 139 141 LEU CB C 42.717 0.2 1 663 139 141 LEU N N 120.07 0.2 1 664 140 142 GLN H H 9.695 0.02 1 665 140 142 GLN C C 176.615 0.2 1 666 140 142 GLN CA C 58.843 0.2 1 667 140 142 GLN CB C 28.396 0.2 1 668 140 142 GLN N N 121.69 0.2 1 669 141 143 ASP H H 7.741 0.02 1 670 141 143 ASP C C 177.113 0.2 1 671 141 143 ASP CA C 53.412 0.2 1 672 141 143 ASP CB C 39.964 0.2 1 673 141 143 ASP N N 115.721 0.2 1 674 142 144 GLY H H 8.185 0.02 1 675 142 144 GLY C C 174.565 0.2 1 676 142 144 GLY CA C 44.701 0.2 1 677 142 144 GLY N N 108.267 0.2 1 678 143 145 THR H H 8.175 0.02 1 679 143 145 THR C C 174.185 0.2 1 680 143 145 THR CA C 64.652 0.2 1 681 143 145 THR CB C 69.292 0.2 1 682 143 145 THR N N 118.549 0.2 1 683 144 146 VAL H H 8.839 0.02 1 684 144 146 VAL C C 176.447 0.2 1 685 144 146 VAL CA C 62.325 0.2 1 686 144 146 VAL CB C 32.135 0.2 1 687 144 146 VAL N N 129.159 0.2 1 688 145 147 PHE H H 8.209 0.02 1 689 145 147 PHE C C 175.165 0.2 1 690 145 147 PHE CA C 56.557 0.2 1 691 145 147 PHE CB C 40.034 0.2 1 692 145 147 PHE N N 125.788 0.2 1 693 146 148 ASP H H 6.736 0.02 1 694 146 148 ASP C C 173.346 0.2 1 695 146 148 ASP CA C 54.988 0.2 1 696 146 148 ASP CB C 43.888 0.2 1 697 146 148 ASP N N 119.395 0.2 1 698 147 149 THR H H 8.124 0.02 1 699 147 149 THR C C 171.118 0.2 1 700 147 149 THR CA C 59.899 0.2 1 701 147 149 THR N N 119.759 0.2 1 702 148 150 ASN H H 7.717 0.02 1 703 148 150 ASN C C 174.737 0.2 1 704 148 150 ASN CA C 51.427 0.2 1 705 148 150 ASN CB C 38.587 0.2 1 706 148 150 ASN N N 123.191 0.2 1 707 149 151 ILE H H 8.307 0.02 1 708 149 151 ILE C C 176.44 0.2 1 709 149 151 ILE CA C 61.248 0.2 1 710 149 151 ILE CB C 38.364 0.2 1 711 149 151 ILE N N 121.854 0.2 1 712 150 152 GLN H H 8.254 0.02 1 713 150 152 GLN CA C 54.923 0.2 1 714 150 152 GLN CB C 29.266 0.2 1 715 150 152 GLN N N 126.09 0.2 1 716 151 153 THR C C 174.967 0.2 1 717 151 153 THR CA C 62.12 0.2 1 718 151 153 THR CB C 69.774 0.2 1 719 152 154 SER H H 8.187 0.02 1 720 152 154 SER C C 174.862 0.2 1 721 152 154 SER CA C 58.207 0.2 1 722 152 154 SER N N 117.456 0.2 1 723 153 155 ALA C C 178.718 0.2 1 724 153 155 ALA CA C 54.161 0.2 1 725 153 155 ALA CB C 18.874 0.2 1 726 154 156 LYS H H 8.095 0.02 1 727 154 156 LYS C C 177.126 0.2 1 728 154 156 LYS CA C 57.286 0.2 1 729 154 156 LYS CB C 32.709 0.2 1 730 154 156 LYS N N 117.651 0.2 1 731 155 157 LYS H H 7.776 0.02 1 732 155 157 LYS C C 177.254 0.2 1 733 155 157 LYS CA C 56.889 0.2 1 734 155 157 LYS CB C 32.939 0.2 1 735 155 157 LYS N N 119.581 0.2 1 736 156 158 LYS H H 8.246 0.02 1 737 156 158 LYS C C 177.253 0.2 1 738 156 158 LYS CA C 57.521 0.2 1 739 156 158 LYS CB C 33.035 0.2 1 740 156 158 LYS N N 121.427 0.2 1 741 157 159 LYS H H 8.064 0.02 1 742 157 159 LYS C C 176.57 0.2 1 743 157 159 LYS CA C 57.584 0.2 1 744 157 159 LYS CB C 32.821 0.2 1 745 157 159 LYS N N 120.736 0.2 1 746 158 160 ASN H H 8.192 0.02 1 747 158 160 ASN C C 174.659 0.2 1 748 158 160 ASN CA C 53.05 0.2 1 749 158 160 ASN CB C 38.835 0.2 1 750 158 160 ASN N N 117.47 0.2 1 751 159 161 ALA H H 7.834 0.02 1 752 159 161 ALA C C 177.047 0.2 1 753 159 161 ALA CA C 52.856 0.2 1 754 159 161 ALA CB C 19.9 0.2 1 755 159 161 ALA N N 123.995 0.2 1 756 160 162 LYS H H 8.52 0.02 1 757 160 162 LYS C C 173.351 0.2 1 758 160 162 LYS CA C 53.403 0.2 1 759 160 162 LYS CB C 33.917 0.2 1 760 160 162 LYS N N 121.653 0.2 1 761 161 163 PRO C C 175.664 0.2 1 762 161 163 PRO CA C 61.901 0.2 1 763 161 163 PRO CB C 31.003 0.2 1 764 162 164 LEU H H 8.062 0.02 1 765 162 164 LEU C C 175.798 0.2 1 766 162 164 LEU CA C 55.507 0.2 1 767 162 164 LEU CB C 43.379 0.2 1 768 162 164 LEU N N 123.536 0.2 1 769 163 165 SER H H 8.516 0.02 1 770 163 165 SER C C 174.107 0.2 1 771 163 165 SER CA C 55.437 0.2 1 772 163 165 SER CB C 65.25 0.2 1 773 163 165 SER N N 122.74 0.2 1 774 164 166 PHE H H 7.728 0.02 1 775 164 166 PHE C C 172.228 0.2 1 776 164 166 PHE CA C 55.829 0.2 1 777 164 166 PHE CB C 39.68 0.2 1 778 164 166 PHE N N 118.536 0.2 1 779 165 167 LYS H H 8.354 0.02 1 780 165 167 LYS C C 175.511 0.2 1 781 165 167 LYS CA C 55.561 0.2 1 782 165 167 LYS CB C 33.808 0.2 1 783 165 167 LYS N N 120.588 0.2 1 784 166 168 VAL H H 8.974 0.02 1 785 166 168 VAL C C 175.479 0.2 1 786 166 168 VAL CA C 62.007 0.2 1 787 166 168 VAL CB C 33.692 0.2 1 788 166 168 VAL N N 126.336 0.2 1 789 167 169 GLY H H 9.658 0.02 1 790 167 169 GLY C C 174.592 0.2 1 791 167 169 GLY CA C 46.108 0.2 1 792 167 169 GLY N N 115.735 0.2 1 793 168 170 VAL H H 8.319 0.02 1 794 168 170 VAL C C 176.455 0.2 1 795 168 170 VAL CA C 59.683 0.2 1 796 168 170 VAL CB C 32.059 0.2 1 797 168 170 VAL N N 111.166 0.2 1 798 169 171 GLY H H 8.98 0.02 1 799 169 171 GLY C C 176.25 0.2 1 800 169 171 GLY CA C 46.522 0.2 1 801 169 171 GLY N N 113.668 0.2 1 802 170 172 LYS H H 9.585 0.02 1 803 170 172 LYS C C 176.153 0.2 1 804 170 172 LYS CA C 56.597 0.2 1 805 170 172 LYS CB C 31.546 0.2 1 806 170 172 LYS N N 120.653 0.2 1 807 171 173 VAL H H 6.523 0.02 1 808 171 173 VAL C C 175.075 0.2 1 809 171 173 VAL N N 107.638 0.2 1 810 172 174 ILE H H 7.39 0.02 1 811 172 174 ILE C C 176.731 0.2 1 812 172 174 ILE CA C 62.079 0.2 1 813 172 174 ILE CB C 38.296 0.2 1 814 172 174 ILE N N 111.058 0.2 1 815 173 175 ARG H H 8.541 0.02 1 816 173 175 ARG C C 178.298 0.2 1 817 173 175 ARG CA C 59.721 0.2 1 818 173 175 ARG CB C 29.668 0.2 1 819 173 175 ARG N N 124.582 0.2 1 820 174 176 GLY H H 9.471 0.02 1 821 174 176 GLY C C 173.135 0.2 1 822 174 176 GLY CA C 48.005 0.2 1 823 174 176 GLY N N 100.295 0.2 1 824 175 177 TRP H H 6.985 0.02 1 825 175 177 TRP C C 176.249 0.2 1 826 175 177 TRP CA C 58.376 0.2 1 827 175 177 TRP CB C 29.97 0.2 1 828 175 177 TRP N N 119.02 0.2 1 829 176 178 ASP H H 7.694 0.02 1 830 176 178 ASP C C 178.179 0.2 1 831 176 178 ASP CA C 57.558 0.2 1 832 176 178 ASP CB C 42.056 0.2 1 833 176 178 ASP N N 120.914 0.2 1 834 177 179 GLU H H 8.214 0.02 1 835 177 179 GLU C C 180.243 0.2 1 836 177 179 GLU CA C 58.571 0.2 1 837 177 179 GLU CB C 29.428 0.2 1 838 177 179 GLU N N 111.052 0.2 1 839 178 180 ALA H H 7.388 0.02 1 840 178 180 ALA C C 182.475 0.2 1 841 178 180 ALA CA C 54.91 0.2 1 842 178 180 ALA CB C 20.443 0.2 1 843 178 180 ALA N N 120.979 0.2 1 844 179 181 LEU H H 8.199 0.02 1 845 179 181 LEU C C 177.695 0.2 1 846 179 181 LEU CA C 58.302 0.2 1 847 179 181 LEU CB C 42.906 0.2 1 848 179 181 LEU N N 119.901 0.2 1 849 180 182 LEU H H 6.775 0.02 1 850 180 182 LEU C C 177.99 0.2 1 851 180 182 LEU CA C 56.62 0.2 1 852 180 182 LEU CB C 41.165 0.2 1 853 180 182 LEU N N 111.961 0.2 1 854 181 183 THR H H 7.857 0.02 1 855 181 183 THR C C 174.639 0.2 1 856 181 183 THR N N 106.129 0.2 1 857 182 184 MET H H 7.712 0.02 1 858 182 184 MET C C 172.177 0.2 1 859 182 184 MET CA C 55.758 0.2 1 860 182 184 MET CB C 35.257 0.2 1 861 182 184 MET N N 125.821 0.2 1 862 183 185 SER H H 7.374 0.02 1 863 183 185 SER C C 175.268 0.2 1 864 183 185 SER CA C 54.883 0.2 1 865 183 185 SER N N 110.098 0.2 1 866 184 186 LYS H H 8.026 0.02 1 867 184 186 LYS C C 176.389 0.2 1 868 184 186 LYS CA C 60.572 0.2 1 869 184 186 LYS CB C 32.717 0.2 1 870 184 186 LYS N N 120.955 0.2 1 871 185 187 GLY H H 8.921 0.02 1 872 185 187 GLY C C 174.023 0.2 1 873 185 187 GLY CA C 44.861 0.2 1 874 185 187 GLY N N 117.593 0.2 1 875 186 188 GLU H H 8.716 0.02 1 876 186 188 GLU C C 174.992 0.2 1 877 186 188 GLU CA C 56.669 0.2 1 878 186 188 GLU CB C 32.99 0.2 1 879 186 188 GLU N N 123.657 0.2 1 880 187 189 LYS H H 8.867 0.02 1 881 187 189 LYS C C 175.101 0.2 1 882 187 189 LYS CA C 54.318 0.2 1 883 187 189 LYS CB C 36.44 0.2 1 884 187 189 LYS N N 124.181 0.2 1 885 188 190 ALA H H 9.582 0.02 1 886 188 190 ALA C C 174.291 0.2 1 887 188 190 ALA CA C 50.571 0.2 1 888 188 190 ALA CB C 23.66 0.2 1 889 188 190 ALA N N 129.203 0.2 1 890 189 191 ARG H H 9.304 0.02 1 891 189 191 ARG C C 175.243 0.2 1 892 189 191 ARG CA C 54.802 0.2 1 893 189 191 ARG CB C 32.31 0.2 1 894 189 191 ARG N N 121.663 0.2 1 895 190 192 LEU H H 10.08 0.02 1 896 190 192 LEU C C 175.844 0.2 1 897 190 192 LEU CA C 52.515 0.2 1 898 190 192 LEU CB C 44.582 0.2 1 899 190 192 LEU N N 128.328 0.2 1 900 191 193 GLU H H 8.731 0.02 1 901 191 193 GLU C C 176.801 0.2 1 902 191 193 GLU CA C 55.594 0.2 1 903 191 193 GLU CB C 30.837 0.2 1 904 191 193 GLU N N 123.467 0.2 1 905 192 194 ILE H H 9.706 0.02 1 906 192 194 ILE C C 174.74 0.2 1 907 192 194 ILE CA C 61.616 0.2 1 908 192 194 ILE CB C 41.336 0.2 1 909 192 194 ILE N N 126.397 0.2 1 910 193 195 GLU H H 8.308 0.02 1 911 193 195 GLU C C 175.536 0.2 1 912 193 195 GLU N N 125.479 0.2 1 913 194 196 PRO C C 180.062 0.2 1 914 194 196 PRO CA C 65.334 0.2 1 915 195 197 GLU H H 9.701 0.02 1 916 195 197 GLU C C 178.022 0.2 1 917 195 197 GLU CA C 59.988 0.2 1 918 195 197 GLU CB C 29.069 0.2 1 919 195 197 GLU N N 117.738 0.2 1 920 196 198 TRP H H 8.047 0.02 1 921 196 198 TRP C C 172.656 0.2 1 922 196 198 TRP CA C 55.963 0.2 1 923 196 198 TRP CB C 28.602 0.2 1 924 196 198 TRP N N 119.904 0.2 1 925 197 199 ALA H H 8.033 0.02 1 926 197 199 ALA C C 176.191 0.2 1 927 197 199 ALA CA C 51.593 0.2 1 928 197 199 ALA CB C 18.822 0.2 1 929 197 199 ALA N N 124.756 0.2 1 930 198 200 TYR H H 9.534 0.02 1 931 198 200 TYR C C 176.834 0.2 1 932 198 200 TYR CA C 59.233 0.2 1 933 198 200 TYR CB C 37.743 0.2 1 934 198 200 TYR N N 122.214 0.2 1 935 199 201 GLY H H 8.502 0.02 1 936 199 201 GLY C C 175.638 0.2 1 937 199 201 GLY CA C 46.871 0.2 1 938 199 201 GLY N N 108.141 0.2 1 939 200 202 LYS C C 177.216 0.2 1 940 200 202 LYS CA C 58.594 0.2 1 941 200 202 LYS CB C 33.042 0.2 1 942 201 203 LYS H H 8.282 0.02 1 943 201 203 LYS C C 179.332 0.2 1 944 201 203 LYS CA C 57.916 0.2 1 945 201 203 LYS CB C 33.216 0.2 1 946 201 203 LYS N N 116.529 0.2 1 947 202 204 GLY H H 7.179 0.02 1 948 202 204 GLY C C 171.762 0.2 1 949 202 204 GLY CA C 44.809 0.2 1 950 202 204 GLY N N 103.231 0.2 1 951 203 205 GLN H H 8.389 0.02 1 952 203 205 GLN CA C 53.663 0.2 1 953 203 205 GLN CB C 30.219 0.2 1 954 203 205 GLN N N 120.124 0.2 1 955 204 206 PRO C C 176.47 0.2 1 956 204 206 PRO CA C 65.619 0.2 1 957 204 206 PRO CB C 33.321 0.2 1 958 205 207 ASP H H 8.466 0.02 1 959 205 207 ASP C C 176.471 0.2 1 960 205 207 ASP CA C 56.593 0.2 1 961 205 207 ASP CB C 40.144 0.2 1 962 205 207 ASP N N 118.154 0.2 1 963 206 208 ALA H H 7.546 0.02 1 964 206 208 ALA C C 175.364 0.2 1 965 206 208 ALA CA C 51.099 0.2 1 966 206 208 ALA CB C 19.512 0.2 1 967 206 208 ALA N N 121.736 0.2 1 968 207 209 LYS H H 7.666 0.02 1 969 207 209 LYS C C 175.13 0.2 1 970 207 209 LYS CA C 57.265 0.2 1 971 207 209 LYS CB C 28.787 0.2 1 972 207 209 LYS N N 111.684 0.2 1 973 208 210 ILE H H 7.397 0.02 1 974 208 210 ILE C C 175.082 0.2 1 975 208 210 ILE CA C 58.223 0.2 1 976 208 210 ILE CB C 38.548 0.2 1 977 208 210 ILE N N 119.098 0.2 1 978 210 212 PRO C C 176.013 0.2 1 979 210 212 PRO CA C 63.649 0.2 1 980 210 212 PRO CB C 33.219 0.2 1 981 211 213 ASN H H 8.282 0.02 1 982 211 213 ASN C C 173.096 0.2 1 983 211 213 ASN CA C 54.37 0.2 1 984 211 213 ASN CB C 37.338 0.2 1 985 211 213 ASN N N 117.527 0.2 1 986 212 214 ALA H H 7.823 0.02 1 987 212 214 ALA C C 176.213 0.2 1 988 212 214 ALA CA C 52.407 0.2 1 989 212 214 ALA CB C 20.292 0.2 1 990 212 214 ALA N N 121.041 0.2 1 991 213 215 LYS H H 8.484 0.02 1 992 213 215 LYS C C 176.776 0.2 1 993 213 215 LYS CA C 56.254 0.2 1 994 213 215 LYS CB C 32.753 0.2 1 995 213 215 LYS N N 125.691 0.2 1 996 214 216 LEU H H 8.505 0.02 1 997 214 216 LEU C C 175.56 0.2 1 998 214 216 LEU CA C 53.797 0.2 1 999 214 216 LEU CB C 45.966 0.2 1 1000 214 216 LEU N N 125.819 0.2 1 1001 215 217 THR H H 8.679 0.02 1 1002 215 217 THR C C 173.696 0.2 1 1003 215 217 THR CA C 61.379 0.2 1 1004 215 217 THR N N 119.259 0.2 1 1005 216 218 PHE H H 9.751 0.02 1 1006 216 218 PHE C C 175.684 0.2 1 1007 216 218 PHE CA C 56.094 0.2 1 1008 216 218 PHE CB C 44.347 0.2 1 1009 216 218 PHE N N 124.059 0.2 1 1010 217 219 GLU H H 8.926 0.02 1 1011 217 219 GLU C C 175.95 0.2 1 1012 217 219 GLU CA C 56.148 0.2 1 1013 217 219 GLU CB C 31.513 0.2 1 1014 217 219 GLU N N 122.827 0.2 1 1015 218 220 VAL H H 9.127 0.02 1 1016 218 220 VAL C C 173.074 0.2 1 1017 218 220 VAL CA C 60.587 0.2 1 1018 218 220 VAL CB C 35.934 0.2 1 1019 218 220 VAL N N 123.322 0.2 1 1020 219 221 GLU H H 9.395 0.02 1 1021 219 221 GLU C C 175.423 0.2 1 1022 219 221 GLU CA C 53.903 0.2 1 1023 219 221 GLU CB C 33.79 0.2 1 1024 219 221 GLU N N 128.388 0.2 1 1025 220 222 LEU H H 8.824 0.02 1 1026 220 222 LEU C C 174.485 0.2 1 1027 220 222 LEU CA C 53.955 0.2 1 1028 220 222 LEU CB C 41.703 0.2 1 1029 220 222 LEU N N 130.185 0.2 1 1030 221 223 VAL H H 8.863 0.02 1 1031 221 223 VAL C C 175.939 0.2 1 1032 221 223 VAL CA C 64.056 0.2 1 1033 221 223 VAL CB C 33.033 0.2 1 1034 221 223 VAL N N 126.49 0.2 1 1035 222 224 ASP H H 7.601 0.02 1 1036 222 224 ASP C C 173.106 0.2 1 1037 222 224 ASP CA C 52.961 0.2 1 1038 222 224 ASP CB C 44.046 0.2 1 1039 222 224 ASP N N 113.847 0.2 1 1040 223 225 ILE H H 8.832 0.02 1 1041 223 225 ILE C C 174.886 0.2 1 1042 223 225 ILE CA C 60.785 0.2 1 1043 223 225 ILE CB C 42.775 0.2 1 1044 223 225 ILE N N 120.672 0.2 1 1045 224 226 ASP H H 9.174 0.02 1 1046 224 226 ASP N N 133.186 0.2 1 stop_ save_