data_25182 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignment of FG-NUP (274 -399) under in-cell condition. ; _BMRB_accession_number 25182 _BMRB_flat_file_name bmr25182.str _Entry_type original _Submission_date 2014-08-29 _Accession_date 2014-08-29 _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 Dutta Kaushik . . 2 Cowburn David . . 3 Rout Michael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 109 "13C chemical shifts" 350 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-08 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25183 FSFG-K-6His 25184 FG-N 25185 FG-N-6His stop_ _Original_release_date 2015-10-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Atomic Scale Dynamic Behavior of the Nuclear Transport Selectivity Barrier ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hough Loren . . 2 Dutta Kaushik . . 3 Sparks Sam . . 4 Temel Deniz B. . 5 Kamal Alia . . 6 Tetenbaum-Novatt Jaclyn . . 7 Rout Michael . . 8 Cowburn David . . stop_ _Journal_abbreviation Science _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'In cell NMR' 'Nuclear Pore Complexes' 'Transport factor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FSFG-K _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FSFG-K _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Transport Factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MDNKTTNTTPSFSFGAKSDE NKAGATSKPAFSFGAKPEEK KDDNSSKPAFSFGAKSNEDK QDGTAKPAFSFGAKPAEKNN NETSKPAFSFGAKSDEKKDG DASKPAFSFGAKPDENKASA TSKPA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 274 ASP 3 275 ASN 4 276 LYS 5 277 THR 6 278 THR 7 279 ASN 8 280 THR 9 281 THR 10 282 PRO 11 283 SER 12 284 PHE 13 285 SER 14 286 PHE 15 287 GLY 16 288 ALA 17 289 LYS 18 290 SER 19 291 ASP 20 292 GLU 21 293 ASN 22 294 LYS 23 295 ALA 24 296 GLY 25 297 ALA 26 298 THR 27 299 SER 28 300 LYS 29 301 PRO 30 302 ALA 31 303 PHE 32 304 SER 33 305 PHE 34 306 GLY 35 307 ALA 36 308 LYS 37 309 PRO 38 310 GLU 39 311 GLU 40 312 LYS 41 313 LYS 42 314 ASP 43 315 ASP 44 316 ASN 45 317 SER 46 318 SER 47 319 LYS 48 320 PRO 49 321 ALA 50 322 PHE 51 323 SER 52 324 PHE 53 325 GLY 54 326 ALA 55 327 LYS 56 328 SER 57 329 ASN 58 330 GLU 59 331 ASP 60 332 LYS 61 333 GLN 62 334 ASP 63 335 GLY 64 336 THR 65 337 ALA 66 338 LYS 67 339 PRO 68 340 ALA 69 341 PHE 70 342 SER 71 343 PHE 72 344 GLY 73 345 ALA 74 346 LYS 75 347 PRO 76 348 ALA 77 349 GLU 78 350 LYS 79 351 ASN 80 352 ASN 81 353 ASN 82 354 GLU 83 355 THR 84 356 SER 85 357 LYS 86 358 PRO 87 359 ALA 88 360 PHE 89 361 SER 90 362 PHE 91 363 GLY 92 364 ALA 93 365 LYS 94 366 SER 95 367 ASP 96 368 GLU 97 369 LYS 98 370 LYS 99 371 ASP 100 372 GLY 101 373 ASP 102 374 ALA 103 375 SER 104 376 LYS 105 377 PRO 106 378 ALA 107 379 PHE 108 380 SER 109 381 PHE 110 382 GLY 111 383 ALA 112 384 LYS 113 385 PRO 114 386 ASP 115 387 GLU 116 388 ASN 117 389 LYS 118 390 ALA 119 391 SER 120 392 ALA 121 393 THR 122 394 SER 123 395 LYS 124 396 PRO 125 397 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 BMRB 25183 FSFG-K-6His 100.00 133 100.00 100.00 4.70e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli 'BL21(DE3) Gold Cells' pRSF stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'In cell NMR' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 500 uM '[U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'In cell NMR' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 500 uM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7.3 . 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 . internal indirect . . . 0.251449530 water H 1 protons ppm . internal direct . . . 1.000000000 water N 15 protons ppm . internal 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 $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 274 2 ASP C C 175.3965 0.16 1 2 274 2 ASP CA C 54.2312 0.16 1 3 274 2 ASP CB C 41.3038 0.16 1 4 275 3 ASN H H 8.5391 0.001 1 5 275 3 ASN C C 175.2523 0.16 1 6 275 3 ASN CA C 53.3166 0.16 1 7 275 3 ASN CB C 38.6397 0.16 1 8 275 3 ASN N N 120.0926 0.03 1 9 276 4 LYS H H 8.3854 0.001 1 10 276 4 LYS C C 176.8925 0.16 1 11 276 4 LYS CA C 56.5676 0.16 1 12 276 4 LYS CB C 32.6847 0.16 1 13 276 4 LYS N N 121.5253 0.03 1 14 277 5 THR H H 8.1953 0.001 1 15 277 5 THR C C 174.6963 0.16 1 16 277 5 THR CA C 61.9684 0.16 1 17 277 5 THR CB C 69.7266 0.16 1 18 277 5 THR N N 115.0258 0.03 1 19 278 6 THR H H 8.1326 0.001 1 20 278 6 THR C C 174.1422 0.16 1 21 278 6 THR CA C 61.7436 0.16 1 22 278 6 THR CB C 69.6374 0.16 1 23 278 6 THR N N 116.1389 0.03 1 24 279 7 ASN H H 8.4609 0.001 1 25 279 7 ASN C C 175.2124 0.16 1 26 279 7 ASN CA C 53.204 0.16 1 27 279 7 ASN CB C 38.8331 0.16 1 28 279 7 ASN N N 121.4587 0.03 1 29 280 8 THR H H 8.1476 0.001 1 30 280 8 THR C C 174.4168 0.16 1 31 280 8 THR CA C 61.6572 0.16 1 32 280 8 THR CB C 69.7295 0.16 1 33 280 8 THR N N 114.4276 0.03 1 34 281 9 THR H H 8.1967 0.001 1 35 281 9 THR C C 172.7307 0.16 1 36 281 9 THR CA C 60.1123 0.16 1 37 281 9 THR CB C 69.5862 0.16 1 38 281 9 THR N N 119.3699 0.03 1 39 282 10 PRO C C 176.6698 0.16 1 40 282 10 PRO CA C 63.247 0.16 1 41 282 10 PRO CB C 32.1829 0.16 1 42 283 11 SER H H 8.2732 0.001 1 43 283 11 SER C C 174.1156 0.16 1 44 283 11 SER CA C 58.1627 0.16 1 45 283 11 SER CB C 63.6495 0.16 1 46 283 11 SER N N 115.9159 0.03 1 47 284 12 PHE H H 8.1286 0.001 1 48 284 12 PHE N N 121.9634 0.03 1 49 286 14 PHE H H 8.159 0.001 1 50 286 14 PHE C C 176.151 0.16 1 51 286 14 PHE CA C 58.153 0.16 1 52 286 14 PHE CB C 39.4 0.16 1 53 286 14 PHE N N 122.362 0.03 1 54 287 15 GLY H H 8.287 0.001 1 55 287 15 GLY C C 173.648 0.16 1 56 287 15 GLY CA C 45.099 0.16 1 57 287 15 GLY N N 110.495 0.03 1 58 288 16 ALA H H 8.059 0.001 1 59 288 16 ALA C C 177.8225 0.16 1 60 288 16 ALA CA C 52.4039 0.16 1 61 288 16 ALA CB C 19.2708 0.16 1 62 288 16 ALA N N 123.868 0.03 1 63 289 17 LYS H H 8.338 0.001 1 64 289 17 LYS C C 176.7969 0.16 1 65 289 17 LYS CA C 56.1629 0.16 1 66 289 17 LYS CB C 32.9215 0.16 1 67 289 17 LYS N N 120.7237 0.03 1 68 290 18 SER H H 8.3184 0.001 1 69 290 18 SER C C 174.3349 0.16 1 70 290 18 SER CA C 58.5361 0.16 1 71 290 18 SER CB C 63.8165 0.16 1 72 290 18 SER N N 117.0219 0.03 1 73 291 19 ASP H H 8.368 0.001 1 74 291 19 ASP C C 176.4631 0.16 1 75 291 19 ASP CA C 54.2473 0.16 1 76 291 19 ASP CB C 40.7679 0.16 1 77 291 19 ASP N N 122.3717 0.03 1 78 292 20 GLU H H 8.2978 0.001 1 79 292 20 GLU C C 176.3165 0.16 1 80 292 20 GLU CA C 56.7844 0.16 1 81 292 20 GLU CB C 30.1444 0.16 1 82 292 20 GLU N N 121.7636 0.03 1 83 293 21 ASN H H 8.4651 0.001 1 84 293 21 ASN C C 175.3096 0.16 1 85 293 21 ASN CA C 53.4464 0.16 1 86 293 21 ASN CB C 38.5597 0.16 1 87 293 21 ASN N N 119.4848 0.03 1 88 294 22 LYS H H 8.1506 0.001 1 89 294 22 LYS C C 176.4687 0.16 1 90 294 22 LYS CA C 56.408 0.16 1 91 294 22 LYS CB C 32.8146 0.16 1 92 294 22 LYS N N 121.8611 0.03 1 93 295 23 ALA H H 8.2626 0.001 1 94 295 23 ALA C C 178.2653 0.16 1 95 295 23 ALA CA C 52.7188 0.16 1 96 295 23 ALA CB C 19.006 0.16 1 97 295 23 ALA N N 124.7364 0.03 1 98 296 24 GLY H H 8.276 0.001 1 99 296 24 GLY C C 174.0569 0.16 1 100 296 24 GLY CA C 45.1731 0.16 1 101 296 24 GLY N N 108.2443 0.03 1 102 297 25 ALA H H 8.1088 0.001 1 103 297 25 ALA C C 178.0704 0.16 1 104 297 25 ALA CA C 52.6566 0.16 1 105 297 25 ALA CB C 19.3373 0.16 1 106 297 25 ALA N N 123.7628 0.03 1 107 298 26 THR H H 8.1317 0.001 1 108 298 26 THR C C 174.5035 0.16 1 109 298 26 THR CA C 61.7038 0.16 1 110 298 26 THR CB C 69.6907 0.16 1 111 298 26 THR N N 112.7637 0.03 1 112 299 27 SER H H 8.1725 0.001 1 113 299 27 SER C C 173.8283 0.16 1 114 299 27 SER CA C 58.1752 0.16 1 115 299 27 SER CB C 63.8929 0.16 1 116 299 27 SER N N 118.3313 0.03 1 117 300 28 LYS H H 8.2584 0.001 1 118 300 28 LYS C C 174.2996 0.16 1 119 300 28 LYS CA C 54.1168 0.16 1 120 300 28 LYS CB C 32.597 0.16 1 121 300 28 LYS N N 124.3893 0.03 1 122 301 29 PRO C C 176.519 0.16 1 123 301 29 PRO CA C 63.033 0.16 1 124 301 29 PRO CB C 32.061 0.16 1 125 302 30 ALA H H 8.333 0.001 1 126 302 30 ALA C C 177.329 0.16 1 127 302 30 ALA CA C 52.431 0.16 1 128 302 30 ALA CB C 19.194 0.16 1 129 302 30 ALA N N 124.287 0.03 1 130 303 31 PHE H H 8.042 0.001 1 131 303 31 PHE C C 175.434 0.16 1 132 303 31 PHE CA C 57.448 0.16 1 133 303 31 PHE CB C 39.695 0.16 1 134 303 31 PHE N N 118.762 0.03 1 135 304 32 SER H H 8.01 0.001 1 136 304 32 SER C C 173.83 0.16 1 137 304 32 SER CA C 57.753 0.16 1 138 304 32 SER CB C 63.68 0.16 1 139 304 32 SER N N 117.394 0.03 1 140 305 33 PHE H H 8.159 0.001 1 141 305 33 PHE C C 176.151 0.16 1 142 305 33 PHE CA C 58.153 0.16 1 143 305 33 PHE CB C 39.4 0.16 1 144 305 33 PHE N N 122.362 0.03 1 145 306 34 GLY H H 8.287 0.001 1 146 306 34 GLY C C 173.4508 0.16 1 147 306 34 GLY CA C 45.028 0.16 1 148 306 34 GLY N N 110.495 0.03 1 149 307 35 ALA H H 7.9936 0.001 1 150 307 35 ALA C C 177.3836 0.16 1 151 307 35 ALA CA C 52.1545 0.16 1 152 307 35 ALA CB C 19.4672 0.16 1 153 307 35 ALA N N 123.676 0.03 1 154 308 36 LYS H H 8.3206 0.001 1 155 308 36 LYS C C 174.7496 0.16 1 156 308 36 LYS CA C 54.1469 0.16 1 157 308 36 LYS CB C 32.5501 0.16 1 158 308 36 LYS N N 122.0911 0.03 1 159 309 37 PRO C C 176.9451 0.16 1 160 309 37 PRO CA C 63.3293 0.16 1 161 309 37 PRO CB C 32.0325 0.16 1 162 310 38 GLU H H 8.5722 0.001 1 163 310 38 GLU C C 176.4069 0.16 1 164 310 38 GLU CA C 56.2872 0.16 1 165 310 38 GLU CB C 30.1192 0.16 1 166 310 38 GLU N N 120.9955 0.03 1 167 311 39 GLU H H 8.3529 0.001 1 168 311 39 GLU C C 176.1072 0.16 1 169 311 39 GLU CA C 56.1603 0.16 1 170 311 39 GLU CB C 30.3413 0.16 1 171 311 39 GLU N N 122.718 0.03 1 172 312 40 LYS H H 8.3317 0.001 1 173 312 40 LYS C C 176.2757 0.16 1 174 312 40 LYS CA C 56.057 0.16 1 175 312 40 LYS CB C 32.8793 0.16 1 176 312 40 LYS N N 123.324 0.03 1 177 313 41 LYS H H 8.3889 0.001 1 178 313 41 LYS C C 176.1122 0.16 1 179 313 41 LYS CA C 56.052 0.16 1 180 313 41 LYS CB C 33.1789 0.16 1 181 313 41 LYS N N 123.5862 0.03 1 182 314 42 ASP H H 8.3804 0.001 1 183 314 42 ASP C C 175.8353 0.16 1 184 314 42 ASP CA C 54.1813 0.16 1 185 314 42 ASP CB C 41.2567 0.16 1 186 314 42 ASP N N 121.8019 0.03 1 187 315 43 ASP H H 8.2854 0.001 1 188 315 43 ASP C C 176.3165 0.16 1 189 315 43 ASP CA C 54.2563 0.16 1 190 315 43 ASP CB C 41.0502 0.16 1 191 315 43 ASP N N 121.3102 0.03 1 192 316 44 ASN H H 8.4826 0.001 1 193 316 44 ASN C C 175.6935 0.16 1 194 316 44 ASN CA C 53.6036 0.16 1 195 316 44 ASN CB C 38.7468 0.16 1 196 316 44 ASN N N 119.5558 0.03 1 197 317 45 SER H H 8.2597 0.001 1 198 317 45 SER C C 174.694 0.16 1 199 317 45 SER CA C 58.8259 0.16 1 200 317 45 SER CB C 63.7328 0.16 1 201 317 45 SER N N 115.8973 0.03 1 202 318 46 SER H H 8.2216 0.001 1 203 318 46 SER C C 173.9879 0.16 1 204 318 46 SER CA C 58.3436 0.16 1 205 318 46 SER CB C 63.7385 0.16 1 206 318 46 SER N N 117.4297 0.03 1 207 319 47 LYS H H 8.0979 0.001 1 208 319 47 LYS C C 174.2712 0.16 1 209 319 47 LYS CA C 54.1371 0.16 1 210 319 47 LYS CB C 32.3935 0.16 1 211 319 47 LYS N N 124.0228 0.03 1 212 320 48 PRO C C 176.5188 0.16 1 213 320 48 PRO CA C 63.0334 0.16 1 214 320 48 PRO CB C 32.0614 0.16 1 215 321 49 ALA H H 8.3327 0.001 1 216 321 49 ALA C C 177.329 0.16 1 217 321 49 ALA CA C 52.4306 0.16 1 218 321 49 ALA CB C 19.1751 0.16 1 219 321 49 ALA N N 124.2874 0.03 1 220 322 50 PHE H H 8.0417 0.001 1 221 322 50 PHE C C 175.4336 0.16 1 222 322 50 PHE CA C 57.4484 0.16 1 223 322 50 PHE CB C 39.7201 0.16 1 224 322 50 PHE N N 118.7618 0.03 1 225 323 51 SER H H 8.0104 0.001 1 226 323 51 SER C C 173.8296 0.16 1 227 323 51 SER CA C 57.753 0.16 1 228 323 51 SER CB C 63.9037 0.16 1 229 323 51 SER N N 117.3941 0.03 1 230 324 52 PHE H H 8.159 0.001 1 231 324 52 PHE C C 176.1511 0.16 1 232 324 52 PHE CA C 58.0601 0.16 1 233 324 52 PHE CB C 39.4005 0.16 1 234 324 52 PHE N N 122.3625 0.03 1 235 325 53 GLY H H 8.2873 0.001 1 236 325 53 GLY C C 173.6481 0.16 1 237 325 53 GLY CA C 45.0996 0.16 1 238 325 53 GLY N N 110.4946 0.03 1 239 326 54 ALA H H 8.0591 0.001 1 240 326 54 ALA C C 177.7952 0.16 1 241 326 54 ALA CA C 52.4346 0.16 1 242 326 54 ALA CB C 19.2179 0.16 1 243 326 54 ALA N N 123.8685 0.03 1 244 327 55 LYS H H 8.3263 0.001 1 245 327 55 LYS C C 176.6908 0.16 1 246 327 55 LYS CA C 56.1576 0.16 1 247 327 55 LYS CB C 32.8795 0.16 1 248 327 55 LYS N N 120.5371 0.03 1 249 328 56 SER H H 8.3392 0.001 1 250 328 56 SER C C 174.4417 0.16 1 251 328 56 SER CA C 58.2764 0.16 1 252 328 56 SER CB C 63.8944 0.16 1 253 328 56 SER N N 116.9486 0.03 1 254 329 57 ASN H H 8.4932 0.001 1 255 329 57 ASN C C 175.3176 0.16 1 256 329 57 ASN CA C 53.5047 0.16 1 257 329 57 ASN CB C 38.7552 0.16 1 258 329 57 ASN N N 120.7247 0.03 1 259 330 58 GLU H H 8.3155 0.001 1 260 330 58 GLU C C 176.1072 0.16 1 261 330 58 GLU CA C 56.795 0.16 1 262 330 58 GLU CB C 30.3134 0.16 1 263 330 58 GLU N N 120.7268 0.03 1 264 331 59 ASP H H 8.2844 0.001 1 265 331 59 ASP C C 176.1726 0.16 1 266 331 59 ASP CA C 54.3632 0.16 1 267 331 59 ASP CB C 40.888 0.16 1 268 331 59 ASP N N 121.2914 0.03 1 269 332 60 LYS H H 8.1662 0.001 1 270 332 60 LYS C C 176.6135 0.16 1 271 332 60 LYS CA C 56.1949 0.16 1 272 332 60 LYS CB C 32.7689 0.16 1 273 332 60 LYS N N 121.5738 0.03 1 274 333 61 GLN H H 8.4037 0.001 1 275 333 61 GLN C C 175.7361 0.16 1 276 333 61 GLN CA C 55.9813 0.16 1 277 333 61 GLN CB C 29.1412 0.16 1 278 333 61 GLN N N 121.1617 0.03 1 279 334 62 ASP H H 8.3312 0.001 1 280 334 62 ASP C C 176.8116 0.16 1 281 334 62 ASP CA C 54.2087 0.16 1 282 334 62 ASP CB C 41.1488 0.16 1 283 334 62 ASP N N 121.4266 0.03 1 284 335 63 GLY H H 8.3932 0.001 1 285 335 63 GLY C C 174.6262 0.16 1 286 335 63 GLY CA C 45.5812 0.16 1 287 335 63 GLY N N 109.6674 0.03 1 288 336 64 THR H H 8.0572 0.001 1 289 336 64 THR C C 174.3882 0.16 1 290 336 64 THR CA C 62.1084 0.16 1 291 336 64 THR CB C 69.8698 0.16 1 292 336 64 THR N N 113.5839 0.03 1 293 337 65 ALA H H 8.2212 0.001 1 294 337 65 ALA C C 177.235 0.16 1 295 337 65 ALA CA C 52.3515 0.16 1 296 337 65 ALA CB C 19.2015 0.16 1 297 337 65 ALA N N 126.4721 0.03 1 298 338 66 LYS H H 8.2243 0.001 1 299 338 66 LYS C C 174.4051 0.16 1 300 338 66 LYS CA C 54.0357 0.16 1 301 338 66 LYS CB C 32.3726 0.16 1 302 338 66 LYS N N 122.2225 0.03 1 303 339 67 PRO C C 176.519 0.16 1 304 339 67 PRO CA C 63.033 0.16 1 305 339 67 PRO CB C 32.061 0.16 1 306 340 68 ALA H H 8.333 0.001 1 307 340 68 ALA C C 177.329 0.16 1 308 340 68 ALA CA C 52.431 0.16 1 309 340 68 ALA CB C 19.194 0.16 1 310 340 68 ALA N N 124.287 0.03 1 311 341 69 PHE H H 8.042 0.001 1 312 341 69 PHE C C 175.434 0.16 1 313 341 69 PHE CA C 57.448 0.16 1 314 341 69 PHE CB C 39.695 0.16 1 315 341 69 PHE N N 118.762 0.03 1 316 342 70 SER H H 8.01 0.001 1 317 342 70 SER C C 173.83 0.16 1 318 342 70 SER CA C 57.753 0.16 1 319 342 70 SER CB C 63.68 0.16 1 320 342 70 SER N N 117.394 0.03 1 321 343 71 PHE H H 8.159 0.001 1 322 343 71 PHE C C 176.151 0.16 1 323 343 71 PHE CA C 58.153 0.16 1 324 343 71 PHE CB C 39.4 0.16 1 325 343 71 PHE N N 122.362 0.03 1 326 344 72 GLY H H 8.287 0.001 1 327 344 72 GLY C C 173.465 0.16 1 328 344 72 GLY CA C 45.028 0.16 1 329 344 72 GLY N N 110.495 0.03 1 330 345 73 ALA H H 7.997 0.001 1 331 345 73 ALA C C 177.384 0.16 1 332 345 73 ALA CA C 52.155 0.16 1 333 345 73 ALA CB C 19.467 0.16 1 334 345 73 ALA N N 123.72 0.03 1 335 346 74 LYS H H 8.318 0.001 1 336 346 74 LYS C C 174.75 0.16 1 337 346 74 LYS CA C 54.147 0.16 1 338 346 74 LYS CB C 32.55 0.16 1 339 346 74 LYS N N 122.092 0.03 1 340 347 75 PRO C C 176.5971 0.16 1 341 347 75 PRO CA C 63.1025 0.16 1 342 347 75 PRO CB C 32.0423 0.16 1 343 348 76 ALA H H 8.3535 0.001 1 344 348 76 ALA C C 177.7664 0.16 1 345 348 76 ALA CA C 52.4791 0.16 1 346 348 76 ALA CB C 19.3246 0.16 1 347 348 76 ALA N N 124.2422 0.03 1 348 350 78 LYS C C 176.0953 0.16 1 349 350 78 LYS CA C 56.1512 0.16 1 350 350 78 LYS CB C 32.9917 0.16 1 351 351 79 ASN H H 8.4641 0.001 1 352 351 79 ASN C C 174.9119 0.16 1 353 351 79 ASN CA C 53.0401 0.16 1 354 351 79 ASN CB C 38.9007 0.16 1 355 351 79 ASN N N 119.897 0.03 1 356 352 80 ASN H H 8.4454 0.001 1 357 352 80 ASN C C 175.0025 0.16 1 358 352 80 ASN CA C 53.3398 0.16 1 359 352 80 ASN CB C 38.7379 0.16 1 360 352 80 ASN N N 119.7564 0.03 1 361 353 81 ASN H H 8.447 0.001 1 362 353 81 ASN C C 175.2999 0.16 1 363 353 81 ASN CA C 53.4946 0.16 1 364 353 81 ASN CB C 38.722 0.16 1 365 353 81 ASN N N 118.9931 0.03 1 366 354 82 GLU H H 8.3328 0.001 1 367 354 82 GLU C C 176.7675 0.16 1 368 354 82 GLU CA C 56.8679 0.16 1 369 354 82 GLU CB C 30.0589 0.16 1 370 354 82 GLU N N 120.8679 0.03 1 371 355 83 THR H H 8.1422 0.001 1 372 355 83 THR C C 174.5517 0.16 1 373 355 83 THR CA C 61.8026 0.16 1 374 355 83 THR CB C 69.7307 0.16 1 375 355 83 THR N N 114.4092 0.03 1 376 356 84 SER H H 8.2175 0.001 1 377 356 84 SER C C 173.925 0.16 1 378 356 84 SER CA C 58.2852 0.16 1 379 356 84 SER CB C 63.8187 0.16 1 380 356 84 SER N N 118.2826 0.03 1 381 357 85 LYS H H 8.2097 0.001 1 382 357 85 LYS C C 174.2897 0.16 1 383 357 85 LYS CA C 54.1521 0.16 1 384 357 85 LYS CB C 32.446 0.16 1 385 357 85 LYS N N 124.207 0.03 1 386 358 86 PRO C C 176.519 0.16 1 387 358 86 PRO CA C 63.033 0.16 1 388 358 86 PRO CB C 32.061 0.16 1 389 359 87 ALA H H 8.333 0.001 1 390 359 87 ALA C C 177.329 0.16 1 391 359 87 ALA CA C 52.431 0.16 1 392 359 87 ALA CB C 19.194 0.16 1 393 359 87 ALA N N 124.287 0.03 1 394 360 88 PHE H H 8.042 0.001 1 395 360 88 PHE C C 175.434 0.16 1 396 360 88 PHE CA C 57.448 0.16 1 397 360 88 PHE CB C 39.695 0.16 1 398 360 88 PHE N N 118.762 0.03 1 399 361 89 SER H H 8.01 0.001 1 400 361 89 SER C C 173.83 0.16 1 401 361 89 SER CA C 57.753 0.16 1 402 361 89 SER CB C 63.68 0.16 1 403 361 89 SER N N 117.394 0.03 1 404 362 90 PHE H H 8.159 0.001 1 405 362 90 PHE C C 176.151 0.16 1 406 362 90 PHE CA C 58.153 0.16 1 407 362 90 PHE CB C 39.4 0.16 1 408 362 90 PHE N N 122.362 0.03 1 409 363 91 GLY H H 8.287 0.001 1 410 363 91 GLY C C 173.648 0.16 1 411 363 91 GLY CA C 45.099 0.16 1 412 363 91 GLY N N 110.495 0.03 1 413 364 92 ALA H H 8.059 0.001 1 414 364 92 ALA C C 177.804 0.16 1 415 364 92 ALA CA C 52.404 0.16 1 416 364 92 ALA CB C 19.271 0.16 1 417 364 92 ALA N N 123.868 0.03 1 418 365 93 LYS H H 8.341 0.001 1 419 365 93 LYS C C 176.804 0.16 1 420 365 93 LYS CA C 56.163 0.16 1 421 365 93 LYS CB C 32.922 0.16 1 422 365 93 LYS N N 120.789 0.03 1 423 366 94 SER H H 8.3109 0.001 1 424 366 94 SER C C 174.3625 0.16 1 425 366 94 SER CA C 58.4451 0.16 1 426 366 94 SER CB C 63.7764 0.16 1 427 366 94 SER N N 117.0404 0.03 1 428 367 95 ASP H H 8.3658 0.001 1 429 367 95 ASP C C 176.1215 0.16 1 430 367 95 ASP CA C 54.266 0.16 1 431 367 95 ASP CB C 40.9866 0.16 1 432 367 95 ASP N N 122.3753 0.03 1 433 368 96 GLU H H 8.2215 0.001 1 434 368 96 GLU C C 176.4085 0.16 1 435 368 96 GLU CA C 56.5564 0.16 1 436 368 96 GLU CB C 30.1881 0.16 1 437 368 96 GLU N N 121.2016 0.03 1 438 369 97 LYS H H 8.3088 0.001 1 439 369 97 LYS C C 176.5828 0.16 1 440 369 97 LYS CA C 56.3034 0.16 1 441 369 97 LYS CB C 32.6361 0.16 1 442 369 97 LYS N N 122.4107 0.03 1 443 370 98 LYS H H 8.3424 0.001 1 444 370 98 LYS C C 176.3257 0.16 1 445 370 98 LYS CA C 56.1843 0.16 1 446 370 98 LYS CB C 33.0393 0.16 1 447 370 98 LYS N N 122.9404 0.03 1 448 371 99 ASP H H 8.3523 0.001 1 449 371 99 ASP C C 176.7228 0.16 1 450 371 99 ASP CA C 54.3912 0.16 1 451 371 99 ASP CB C 41.0991 0.16 1 452 371 99 ASP N N 121.3733 0.03 1 453 372 100 GLY H H 8.3009 0.001 1 454 372 100 GLY C C 174.0672 0.16 1 455 372 100 GLY CA C 45.4606 0.16 1 456 372 100 GLY N N 109.3464 0.03 1 457 373 101 ASP H H 8.2052 0.001 1 458 373 101 ASP C C 176.3056 0.16 1 459 373 101 ASP CA C 54.3544 0.16 1 460 373 101 ASP CB C 41.174 0.16 1 461 373 101 ASP N N 120.7248 0.03 1 462 374 102 ALA H H 8.2563 0.001 1 463 374 102 ALA C C 177.8024 0.16 1 464 374 102 ALA CA C 52.755 0.16 1 465 374 102 ALA CB C 18.9955 0.16 1 466 374 102 ALA N N 124.6578 0.03 1 467 375 103 SER H H 8.2352 0.001 1 468 375 103 SER C C 174.1022 0.16 1 469 375 103 SER CA C 58.5839 0.16 1 470 375 103 SER CB C 63.8107 0.16 1 471 375 103 SER N N 114.7171 0.03 1 472 376 104 LYS H H 8.0249 0.001 1 473 376 104 LYS C C 174.2297 0.16 1 474 376 104 LYS CA C 54.3312 0.16 1 475 376 104 LYS CB C 32.4678 0.16 1 476 376 104 LYS N N 123.8774 0.03 1 477 377 105 PRO C C 176.519 0.16 1 478 377 105 PRO CA C 63.033 0.16 1 479 377 105 PRO CB C 32.061 0.16 1 480 378 106 ALA H H 8.333 0.001 1 481 378 106 ALA C C 177.329 0.16 1 482 378 106 ALA CA C 52.431 0.16 1 483 378 106 ALA CB C 19.194 0.16 1 484 378 106 ALA N N 124.287 0.03 1 485 379 107 PHE H H 8.042 0.001 1 486 379 107 PHE C C 175.434 0.16 1 487 379 107 PHE CA C 57.448 0.16 1 488 379 107 PHE CB C 39.695 0.16 1 489 379 107 PHE N N 118.762 0.03 1 490 380 108 SER H H 8.01 0.001 1 491 380 108 SER C C 173.83 0.16 1 492 380 108 SER CA C 57.753 0.16 1 493 380 108 SER CB C 63.68 0.16 1 494 380 108 SER N N 117.394 0.03 1 495 381 109 PHE H H 8.159 0.001 1 496 381 109 PHE C C 176.151 0.16 1 497 381 109 PHE CA C 58.153 0.16 1 498 381 109 PHE CB C 39.4 0.16 1 499 381 109 PHE N N 122.362 0.03 1 500 382 110 GLY H H 8.287 0.001 1 501 382 110 GLY C C 173.465 0.16 1 502 382 110 GLY CA C 45.028 0.16 1 503 382 110 GLY N N 110.495 0.03 1 504 383 111 ALA H H 7.997 0.001 1 505 383 111 ALA C C 177.384 0.16 1 506 383 111 ALA CA C 52.155 0.16 1 507 383 111 ALA CB C 19.467 0.16 1 508 383 111 ALA N N 123.72 0.03 1 509 384 112 LYS H H 8.318 0.001 1 510 384 112 LYS C C 174.75 0.16 1 511 384 112 LYS CA C 54.147 0.16 1 512 384 112 LYS CB C 32.55 0.16 1 513 384 112 LYS N N 122.092 0.03 1 514 385 113 PRO C C 176.635 0.16 1 515 385 113 PRO CA C 63.412 0.16 1 516 385 113 PRO CB C 32.0316 0.16 1 517 386 114 ASP H H 8.3771 0.001 1 518 386 114 ASP C C 176.4515 0.16 1 519 386 114 ASP CA C 54.3558 0.16 1 520 386 114 ASP CB C 41.0548 0.16 1 521 386 114 ASP N N 119.9768 0.03 1 522 387 115 GLU H H 8.2972 0.001 1 523 387 115 GLU C C 176.4137 0.16 1 524 387 115 GLU CA C 57.041 0.16 1 525 387 115 GLU CB C 29.9635 0.16 1 526 387 115 GLU N N 121.0524 0.03 1 527 388 116 ASN H H 8.3959 0.001 1 528 388 116 ASN C C 175.3195 0.16 1 529 388 116 ASN CA C 53.4006 0.16 1 530 388 116 ASN CB C 38.5962 0.16 1 531 388 116 ASN N N 119.182 0.03 1 532 389 117 LYS H H 8.1456 0.001 1 533 389 117 LYS N N 121.8383 0.03 1 534 390 118 ALA C C 177.8693 0.16 1 535 390 118 ALA CA C 52.7166 0.16 1 536 390 118 ALA CB C 19.0798 0.16 1 537 391 119 SER H H 8.1803 0.001 1 538 391 119 SER C C 174.5254 0.16 1 539 391 119 SER CA C 58.2412 0.16 1 540 391 119 SER CB C 63.8424 0.16 1 541 391 119 SER N N 114.8774 0.03 1 542 392 120 ALA H H 8.3087 0.001 1 543 392 120 ALA C C 177.9284 0.16 1 544 392 120 ALA CA C 52.7698 0.16 1 545 392 120 ALA CB C 19.2826 0.16 1 546 392 120 ALA N N 125.9612 0.03 1 547 393 121 THR H H 8.0536 0.001 1 548 393 121 THR C C 174.5272 0.16 1 549 393 121 THR CA C 61.6475 0.16 1 550 393 121 THR CB C 69.7555 0.16 1 551 393 121 THR N N 112.3045 0.03 1 552 394 122 SER H H 8.1725 0.001 1 553 394 122 SER C C 173.8283 0.16 1 554 394 122 SER CA C 58.1752 0.16 1 555 394 122 SER CB C 63.8929 0.16 1 556 394 122 SER N N 118.3313 0.03 1 557 395 123 LYS H H 8.2584 0.001 1 558 395 123 LYS C C 174.2996 0.16 1 559 395 123 LYS CA C 54.1168 0.16 1 560 395 123 LYS CB C 32.597 0.16 1 561 395 123 LYS N N 124.3893 0.03 1 562 396 124 PRO C C 175.6778 0.16 1 563 396 124 PRO CA C 63.3643 0.16 1 564 396 124 PRO CB C 31.9675 0.16 1 565 397 125 ALA H H 7.9681 0.001 1 566 397 125 ALA CA C 53.7886 0.16 1 567 397 125 ALA CB C 20.021 0.16 1 568 397 125 ALA N N 130.0484 0.03 1 stop_ save_