data_17491 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Resonance Assignments for the C-terminus of Prp24 ; _BMRB_accession_number 17491 _BMRB_flat_file_name bmr17491.str _Entry_type original _Submission_date 2011-02-25 _Accession_date 2011-02-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Resonances assignments for L4C: residues 292-444 of Prp24' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martin-Tumasz Stephen A. . 2 Butcher Samuel E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 464 "13C chemical shifts" 389 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-08 update BMRB 'update entry citation' 2011-06-22 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16230 'Prp24-2 + RNA' 16243 Prp24-23 16244 'Prp24-23 + RNA' 16246 Prp24-2 17490 Prp24-L4W 7070 Prp24-12 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A novel occluded RNA recognition motif in Prp24 unwinds the U6 RNA internal stem loop.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21653550 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Martin-Tumasz Stephen . . 2 Richie Ashley C. . 3 Clos Lawrence J. 2nd 4 Brow David A. . 5 Butcher Samuel E. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 39 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7837 _Page_last 7847 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name L4C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label L4C $L4C 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_L4C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common L4C _Molecular_mass 12568.729 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; MFLERNEVKRLLASRNSKEL ETLICLFPLSDKVSPSLICQ FLQEEIHINEKDIRKILLVS DFNGAIIIFRDSKFAAKMLM ILNGSQFQGKVIRSGTINDM KRYYNNQQNHSMKHVKPSCI NMMEKGPNLQVKKKIPDKQE QMSNDDFRKMFLGELEHHHH HH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 291 MET 2 292 PHE 3 293 LEU 4 294 GLU 5 295 ARG 6 296 ASN 7 297 GLU 8 298 VAL 9 299 LYS 10 300 ARG 11 301 LEU 12 302 LEU 13 303 ALA 14 304 SER 15 305 ARG 16 306 ASN 17 307 SER 18 308 LYS 19 309 GLU 20 310 LEU 21 311 GLU 22 312 THR 23 313 LEU 24 314 ILE 25 315 CYS 26 316 LEU 27 317 PHE 28 318 PRO 29 319 LEU 30 320 SER 31 321 ASP 32 322 LYS 33 323 VAL 34 324 SER 35 325 PRO 36 326 SER 37 327 LEU 38 328 ILE 39 329 CYS 40 330 GLN 41 331 PHE 42 332 LEU 43 333 GLN 44 334 GLU 45 335 GLU 46 336 ILE 47 337 HIS 48 338 ILE 49 339 ASN 50 340 GLU 51 341 LYS 52 342 ASP 53 343 ILE 54 344 ARG 55 345 LYS 56 346 ILE 57 347 LEU 58 348 LEU 59 349 VAL 60 350 SER 61 351 ASP 62 352 PHE 63 353 ASN 64 354 GLY 65 355 ALA 66 356 ILE 67 357 ILE 68 358 ILE 69 359 PHE 70 360 ARG 71 361 ASP 72 362 SER 73 363 LYS 74 364 PHE 75 365 ALA 76 366 ALA 77 367 LYS 78 368 MET 79 369 LEU 80 370 MET 81 371 ILE 82 372 LEU 83 373 ASN 84 374 GLY 85 375 SER 86 376 GLN 87 377 PHE 88 378 GLN 89 379 GLY 90 380 LYS 91 381 VAL 92 382 ILE 93 383 ARG 94 384 SER 95 385 GLY 96 386 THR 97 387 ILE 98 388 ASN 99 389 ASP 100 390 MET 101 391 LYS 102 392 ARG 103 393 TYR 104 394 TYR 105 395 ASN 106 396 ASN 107 397 GLN 108 398 GLN 109 399 ASN 110 400 HIS 111 401 SER 112 402 MET 113 403 LYS 114 404 HIS 115 405 VAL 116 406 LYS 117 407 PRO 118 408 SER 119 409 CYS 120 410 ILE 121 411 ASN 122 412 MET 123 413 MET 124 414 GLU 125 415 LYS 126 416 GLY 127 417 PRO 128 418 ASN 129 419 LEU 130 420 GLN 131 421 VAL 132 422 LYS 133 423 LYS 134 424 LYS 135 425 ILE 136 426 PRO 137 427 ASP 138 428 LYS 139 429 GLN 140 430 GLU 141 431 GLN 142 432 MET 143 433 SER 144 434 ASN 145 435 ASP 146 436 ASP 147 437 PHE 148 438 ARG 149 439 LYS 150 440 MET 151 441 PHE 152 442 LEU 153 443 GLY 154 444 GLU 155 445 LEU 156 446 GLU 157 447 HIS 158 448 HIS 159 449 HIS 160 450 HIS 161 451 HIS 162 452 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 17490 L4W 70.37 117 97.37 97.37 8.29e-72 PDB 2L9W "Solution Structure Of The C-Terminal Domain Of Prp24" 70.37 117 97.37 97.37 8.29e-72 PDB 4N0T "Core Structure Of The U6 Small Nuclear Ribonucleoprotein At 1.7 Angstrom Resolution" 69.75 374 97.35 97.35 4.86e-68 EMBL CAA89251 "U6sNRPp [Saccharomyces cerevisiae]" 94.44 444 100.00 100.00 4.03e-103 EMBL CAY82100 "Prp24p [Saccharomyces cerevisiae EC1118]" 94.44 444 100.00 100.00 4.03e-103 GB AAU09775 "YMR268C [Saccharomyces cerevisiae]" 94.44 444 100.00 100.00 3.86e-103 GB AHY76723 "Prp24p [Saccharomyces cerevisiae YJM993]" 94.44 444 100.00 100.00 4.03e-103 GB AJP40962 "Prp24p [Saccharomyces cerevisiae YJM1078]" 94.44 444 100.00 100.00 3.70e-103 GB AJS62134 "Prp24p [Saccharomyces cerevisiae YJM189]" 94.44 444 100.00 100.00 4.03e-103 GB AJS62569 "Prp24p [Saccharomyces cerevisiae YJM193]" 94.44 444 99.35 100.00 1.69e-102 REF NP_013995 "U6 snRNP complex subunit PRP24 [Saccharomyces cerevisiae S288c]" 94.44 444 100.00 100.00 4.03e-103 SP P49960 "RecName: Full=U4/U6 snRNA-associated-splicing factor PRP24; Short=U4/U6 snRNP protein" 94.44 444 100.00 100.00 4.03e-103 TPG DAA10168 "TPA: U6 snRNP complex subunit PRP24 [Saccharomyces cerevisiae S288c]" 94.44 444 100.00 100.00 4.03e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $L4C 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae Prp24 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 $L4C 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21 DE3' pET-21b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L4C 600 uM '[U-99% 13C; U-99% 15N]' 'potassium phosphate pH 6' 18 mM 'natural abundance' 'potassium chloride' 45 mM 'natural abundance' DTT 0.9 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_Reference _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L4C 600 uM '[U-99% 13C; U-99% 15N]' 'potassium phosphate pH 6' 18 mM 'natural abundance' 'potassium chloride' 45 mM 'natural abundance' DSS 1 uM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _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_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _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 $13C15N_H2O save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C15N_H2O save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C15N_H2O save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C15N_H2O save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $13C15N_H2O save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $Reference save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . pH pressure 1 . atm temperature 273 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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 CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '2D 1H-13C HSQC aliphatic' stop_ loop_ _Sample_label $13C15N_H2O $Reference stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name L4C _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 1 297 7 GLU HA H 4.283 0.016 1 2 297 7 GLU HB2 H 2.026 0.001 2 3 297 7 GLU HB3 H 2.026 0.001 2 4 297 7 GLU C C 178.134 0.4 1 5 297 7 GLU CA C 58.958 0.038 1 6 297 7 GLU CB C 29.765 0.035 1 7 298 8 VAL H H 8.1 0.004 1 8 298 8 VAL HA H 3.387 0.011 1 9 298 8 VAL HB H 1.823 0.011 1 10 298 8 VAL C C 177.074 0.4 1 11 298 8 VAL CA C 67.697 0.041 1 12 298 8 VAL CB C 31.985 0.03 1 13 298 8 VAL N N 119.009 0.063 1 14 299 9 LYS H H 7.768 0.005 1 15 299 9 LYS HA H 3.801 0.006 1 16 299 9 LYS HB2 H 1.842 0.016 2 17 299 9 LYS HB3 H 1.842 0.016 2 18 299 9 LYS C C 177.885 0.4 1 19 299 9 LYS CA C 59.944 0.021 1 20 299 9 LYS CB C 32.265 0.031 1 21 299 9 LYS N N 117.725 0.063 1 22 300 10 ARG H H 7.814 0.005 1 23 300 10 ARG HA H 3.968 0.023 1 24 300 10 ARG HB2 H 1.881 0.001 2 25 300 10 ARG HB3 H 1.845 0.007 2 26 300 10 ARG C C 179.718 0.4 1 27 300 10 ARG CA C 59.473 0.076 1 28 300 10 ARG CB C 30.264 0.062 1 29 300 10 ARG N N 119.162 0.092 1 30 301 11 LEU H H 8.171 0.008 1 31 301 11 LEU HA H 3.901 0.019 1 32 301 11 LEU HB2 H 1.805 0.009 2 33 301 11 LEU HB3 H 1.104 0.016 2 34 301 11 LEU C C 178.968 0.4 1 35 301 11 LEU CA C 58.065 0.118 1 36 301 11 LEU CB C 42.059 0.036 1 37 301 11 LEU N N 120.956 0.084 1 38 302 12 LEU H H 8.332 0.005 1 39 302 12 LEU HA H 3.88 0.014 1 40 302 12 LEU HB2 H 1.829 0.015 2 41 302 12 LEU HB3 H 1.41 0.012 2 42 302 12 LEU C C 177.346 0.4 1 43 302 12 LEU CA C 57.531 0.11 1 44 302 12 LEU CB C 41.606 0.106 1 45 302 12 LEU N N 116.333 0.045 1 46 303 13 ALA H H 7.102 0.008 1 47 303 13 ALA HA H 4.476 0.009 1 48 303 13 ALA HB H 1.392 0.01 1 49 303 13 ALA C C 177.577 0.4 1 50 303 13 ALA CA C 51.359 0.045 1 51 303 13 ALA CB C 19.828 0.083 1 52 303 13 ALA N N 117.986 0.048 1 53 304 14 SER H H 7.25 0.007 1 54 304 14 SER HA H 4.052 0.035 1 55 304 14 SER HB2 H 3.889 0.01 2 56 304 14 SER HB3 H 3.889 0.01 2 57 304 14 SER CA C 59.466 0.4 1 58 304 14 SER CB C 63.831 0.095 1 59 304 14 SER N N 114.829 0.047 1 60 308 18 LYS HA H 4.136 0.027 1 61 308 18 LYS HB2 H 1.856 0.029 2 62 308 18 LYS HB3 H 1.856 0.029 2 63 308 18 LYS C C 179.039 0.4 1 64 308 18 LYS CA C 58.635 0.006 1 65 308 18 LYS CB C 31.703 0.031 1 66 309 19 GLU H H 7.496 0.007 1 67 309 19 GLU HA H 4.207 0.007 1 68 309 19 GLU HB2 H 2.033 0.01 2 69 309 19 GLU HB3 H 2.033 0.01 2 70 309 19 GLU CA C 58.016 0.022 1 71 309 19 GLU CB C 30.179 0.4 1 72 309 19 GLU N N 118.309 0.028 1 73 310 20 LEU H H 7.734 0.04 1 74 310 20 LEU HA H 4.158 0.018 1 75 310 20 LEU HB2 H 1.799 0.008 2 76 310 20 LEU HB3 H 1.603 0.007 2 77 310 20 LEU C C 179.121 0.4 1 78 310 20 LEU CA C 56.634 0.088 1 79 310 20 LEU CB C 41.722 0.062 1 80 310 20 LEU N N 118.218 0.4 1 81 311 21 GLU H H 7.73 0.007 1 82 311 21 GLU HA H 4.33 0.009 1 83 311 21 GLU HB2 H 2.213 0.008 2 84 311 21 GLU HB3 H 2.164 0.009 2 85 311 21 GLU C C 176.979 0.4 1 86 311 21 GLU CA C 58.292 0.041 1 87 311 21 GLU CB C 29.7 0.062 1 88 311 21 GLU N N 116.138 0.05 1 89 312 22 THR H H 7.436 0.006 1 90 312 22 THR HA H 4.176 0.01 1 91 312 22 THR HB H 4.616 0.012 1 92 312 22 THR C C 171.989 0.4 1 93 312 22 THR CA C 61.549 0.091 1 94 312 22 THR CB C 69.5 0.057 1 95 312 22 THR N N 106.131 0.06 1 96 313 23 LEU H H 7.525 0.008 1 97 313 23 LEU HA H 5.858 0.021 1 98 313 23 LEU HB2 H 1.685 0.012 2 99 313 23 LEU HB3 H 1.544 0.015 2 100 313 23 LEU C C 175.603 0.4 1 101 313 23 LEU CA C 52.795 0.077 1 102 313 23 LEU CB C 46.792 0.082 1 103 313 23 LEU N N 120.21 0.064 1 104 314 24 ILE H H 8.898 0.006 1 105 314 24 ILE HA H 4.707 0.013 1 106 314 24 ILE HB H 2.005 0.013 1 107 314 24 ILE C C 173.567 0.4 1 108 314 24 ILE CA C 59.365 0.073 1 109 314 24 ILE CB C 42.268 0.059 1 110 314 24 ILE N N 114.004 0.11 1 111 315 25 CYS H H 9.013 0.005 1 112 315 25 CYS HA H 5.912 0.03 1 113 315 25 CYS HB2 H 3.111 0.015 2 114 315 25 CYS HB3 H 2.703 0.011 2 115 315 25 CYS C C 174.176 0.4 1 116 315 25 CYS CA C 57.207 0.125 1 117 315 25 CYS CB C 31.937 0.087 1 118 315 25 CYS N N 117.739 0.093 1 119 316 26 LEU H H 8.76 0.012 1 120 316 26 LEU HA H 5.358 0.009 1 121 316 26 LEU HB2 H 1.247 0.012 2 122 316 26 LEU HB3 H 1.423 0.015 2 123 316 26 LEU C C 176.019 0.4 1 124 316 26 LEU CA C 53.142 0.048 1 125 316 26 LEU CB C 45.893 0.117 1 126 316 26 LEU N N 119.997 0.091 1 127 317 27 PHE H H 7.814 0.006 1 128 317 27 PHE HA H 4.844 0.013 1 129 317 27 PHE HB2 H 3.325 0.023 2 130 317 27 PHE HB3 H 2.974 0.005 2 131 317 27 PHE CA C 55.564 0.071 1 132 317 27 PHE CB C 37.797 0.4 1 133 317 27 PHE N N 116.125 0.071 1 134 318 28 PRO HA H 5.315 0.013 1 135 318 28 PRO HB2 H 2.32 0.009 2 136 318 28 PRO HB3 H 2.083 0.038 2 137 318 28 PRO C C 175.147 0.4 1 138 318 28 PRO CA C 61.625 0.118 1 139 318 28 PRO CB C 34.422 0.205 1 140 319 29 LEU H H 8.351 0.007 1 141 319 29 LEU HA H 4.659 0.009 1 142 319 29 LEU HB2 H 1.398 0.036 2 143 319 29 LEU HB3 H 1.398 0.036 2 144 319 29 LEU C C 176.802 0.4 1 145 319 29 LEU CA C 52.96 0.091 1 146 319 29 LEU CB C 45.055 0.077 1 147 319 29 LEU N N 120.195 0.122 1 148 320 30 SER H H 8.648 0.011 1 149 320 30 SER HA H 4.48 0.009 1 150 320 30 SER HB2 H 4.128 0.012 2 151 320 30 SER HB3 H 3.834 0.01 2 152 320 30 SER C C 174.687 0.4 1 153 320 30 SER CA C 57.834 0.065 1 154 320 30 SER CB C 64.306 0.174 1 155 320 30 SER N N 117.26 0.076 1 156 321 31 ASP H H 8.585 0.009 1 157 321 31 ASP HA H 4.467 0.01 1 158 321 31 ASP HB2 H 2.875 0.02 2 159 321 31 ASP HB3 H 2.743 0.016 2 160 321 31 ASP C C 176.805 0.4 1 161 321 31 ASP CA C 55.424 0.062 1 162 321 31 ASP CB C 40.143 0.145 1 163 321 31 ASP N N 121.485 0.058 1 164 322 32 LYS H H 8.04 0.005 1 165 322 32 LYS HA H 4.323 0.016 1 166 322 32 LYS HB2 H 1.965 0.022 2 167 322 32 LYS HB3 H 1.634 0.017 2 168 322 32 LYS C C 176.777 0.4 1 169 322 32 LYS CA C 55.828 0.222 1 170 322 32 LYS CB C 31.971 0.086 1 171 322 32 LYS N N 118.007 0.052 1 172 323 33 VAL H H 7.325 0.004 1 173 323 33 VAL HA H 3.914 0.016 1 174 323 33 VAL HB H 2.161 0.014 1 175 323 33 VAL C C 173.295 0.4 1 176 323 33 VAL CA C 63.289 0.154 1 177 323 33 VAL CB C 32.397 0.072 1 178 323 33 VAL N N 119.555 0.053 1 179 324 34 SER H H 7.08 0.006 1 180 324 34 SER HA H 5.094 0.014 1 181 324 34 SER HB2 H 4.327 0.009 2 182 324 34 SER HB3 H 3.897 0.015 2 183 324 34 SER CA C 55.139 0.085 1 184 324 34 SER CB C 64.669 0.071 1 185 324 34 SER N N 118.915 0.063 1 186 326 36 SER C C 176.927 0.4 1 187 327 37 LEU H H 7.737 0.007 1 188 327 37 LEU HA H 4.305 0.015 1 189 327 37 LEU HB2 H 1.941 0.012 2 190 327 37 LEU HB3 H 1.765 0.009 2 191 327 37 LEU C C 180.279 0.4 1 192 327 37 LEU CA C 57.963 0.039 1 193 327 37 LEU CB C 42.691 0.116 1 194 327 37 LEU N N 123.885 0.051 1 195 328 38 ILE H H 7.622 0.006 1 196 328 38 ILE HA H 3.626 0.021 1 197 328 38 ILE HB H 1.938 0.011 1 198 328 38 ILE C C 176.818 0.4 1 199 328 38 ILE CA C 65.197 0.132 1 200 328 38 ILE CB C 37.444 0.067 1 201 328 38 ILE N N 119.405 0.05 1 202 329 39 CYS H H 8.619 0.007 1 203 329 39 CYS HA H 3.735 0.014 1 204 329 39 CYS HB2 H 3.146 0.014 2 205 329 39 CYS HB3 H 2.922 0.016 2 206 329 39 CYS C C 176.177 0.4 1 207 329 39 CYS CA C 63.623 0.047 1 208 329 39 CYS CB C 26.378 0.068 1 209 329 39 CYS N N 120.399 0.075 1 210 330 40 GLN H H 8.192 0.006 1 211 330 40 GLN HA H 4.074 0.019 1 212 330 40 GLN HB2 H 2.211 0.013 2 213 330 40 GLN HB3 H 2.211 0.013 2 214 330 40 GLN C C 177.381 0.4 1 215 330 40 GLN CA C 59.495 0.045 1 216 330 40 GLN CB C 28.466 0.079 1 217 330 40 GLN N N 118.23 0.058 1 218 331 41 PHE H H 7.784 0.006 1 219 331 41 PHE HA H 4.634 0.013 1 220 331 41 PHE HB2 H 3.584 0.013 2 221 331 41 PHE HB3 H 3.217 0.024 2 222 331 41 PHE C C 177.43 0.4 1 223 331 41 PHE CA C 60.273 0.061 1 224 331 41 PHE CB C 39.596 0.061 1 225 331 41 PHE N N 121.346 0.055 1 226 332 42 LEU H H 8.415 0.008 1 227 332 42 LEU HA H 3.495 0.009 1 228 332 42 LEU HB2 H 2.053 0.031 2 229 332 42 LEU HB3 H 2.053 0.031 2 230 332 42 LEU C C 178.504 0.4 1 231 332 42 LEU CA C 57.431 0.202 1 232 332 42 LEU CB C 40.854 0.081 1 233 332 42 LEU N N 118.973 0.058 1 234 333 43 GLN H H 8.214 0.005 1 235 333 43 GLN HA H 4.577 0.017 1 236 333 43 GLN HB2 H 2.195 0.008 2 237 333 43 GLN HB3 H 2.15 0.004 2 238 333 43 GLN C C 178.526 0.4 1 239 333 43 GLN CA C 58.941 0.077 1 240 333 43 GLN CB C 30.943 0.078 1 241 333 43 GLN N N 116.119 0.041 1 242 334 44 GLU H H 8.897 0.011 1 243 334 44 GLU HA H 4.109 0.008 1 244 334 44 GLU HB2 H 2.097 0.036 2 245 334 44 GLU HB3 H 2.097 0.036 2 246 334 44 GLU C C 177.385 0.4 1 247 334 44 GLU CA C 58.85 0.103 1 248 334 44 GLU CB C 30.496 0.234 1 249 334 44 GLU N N 116.934 0.045 1 250 335 45 GLU H H 8.048 0.006 1 251 335 45 GLU HA H 4.353 0.009 1 252 335 45 GLU HB2 H 1.866 0.011 2 253 335 45 GLU HB3 H 1.866 0.011 2 254 335 45 GLU C C 176.794 0.4 1 255 335 45 GLU CA C 57.107 0.048 1 256 335 45 GLU CB C 29.708 0.103 1 257 335 45 GLU N N 114.856 0.047 1 258 336 46 ILE H H 6.72 0.007 1 259 336 46 ILE HA H 3.903 0.011 1 260 336 46 ILE HB H 2.423 0.016 1 261 336 46 ILE C C 175.706 0.4 1 262 336 46 ILE CA C 58.125 0.084 1 263 336 46 ILE CB C 35.047 0.446 1 264 336 46 ILE N N 115.609 0.093 1 265 337 47 HIS H H 6.617 0.007 1 266 337 47 HIS HA H 4.493 0.006 1 267 337 47 HIS HB2 H 3.5 0.013 2 268 337 47 HIS HB3 H 3.258 0.013 2 269 337 47 HIS C C 175.089 0.4 1 270 337 47 HIS CA C 56.361 0.349 1 271 337 47 HIS CB C 25.562 0.135 1 272 337 47 HIS N N 111.929 0.097 1 273 338 48 ILE H H 7.957 0.01 1 274 338 48 ILE HA H 4.419 0.017 1 275 338 48 ILE HB H 1.898 0.024 1 276 338 48 ILE C C 175.053 0.4 1 277 338 48 ILE CA C 60.763 0.054 1 278 338 48 ILE CB C 38.914 0.097 1 279 338 48 ILE N N 118.184 0.091 1 280 339 49 ASN H H 9.213 0.005 1 281 339 49 ASN HA H 4.687 0.01 1 282 339 49 ASN HB2 H 2.728 0.013 2 283 339 49 ASN HB3 H 2.728 0.013 2 284 339 49 ASN C C 176.421 0.4 1 285 339 49 ASN CA C 53.504 0.262 1 286 339 49 ASN CB C 40.685 0.054 1 287 339 49 ASN N N 124.045 0.066 1 288 340 50 GLU H H 8.956 0.005 1 289 340 50 GLU HA H 3.789 0.013 1 290 340 50 GLU HB2 H 2.023 0.015 2 291 340 50 GLU HB3 H 1.928 0.004 2 292 340 50 GLU C C 177.966 0.4 1 293 340 50 GLU CA C 59.868 0.026 1 294 340 50 GLU CB C 29.21 0.08 1 295 340 50 GLU N N 125.53 0.051 1 296 341 51 LYS H H 8.421 0.005 1 297 341 51 LYS HA H 4.103 0.01 1 298 341 51 LYS HB2 H 1.749 0.022 2 299 341 51 LYS HB3 H 1.749 0.022 2 300 341 51 LYS C C 177.337 0.4 1 301 341 51 LYS CA C 57.834 0.293 1 302 341 51 LYS CB C 31.681 0.066 1 303 341 51 LYS N N 116.049 0.039 1 304 342 52 ASP H H 7.906 0.005 1 305 342 52 ASP HA H 4.448 0.014 1 306 342 52 ASP HB2 H 2.614 0.02 2 307 342 52 ASP HB3 H 2.166 0.015 2 308 342 52 ASP C C 175.431 0.4 1 309 342 52 ASP CA C 55.98 0.116 1 310 342 52 ASP CB C 41.929 0.121 1 311 342 52 ASP N N 117.618 0.072 1 312 343 53 ILE H H 7.466 0.005 1 313 343 53 ILE HA H 3.88 0.026 1 314 343 53 ILE HB H 1.851 0.015 1 315 343 53 ILE C C 174.984 0.4 1 316 343 53 ILE CA C 61.267 0.068 1 317 343 53 ILE CB C 39.894 0.143 1 318 343 53 ILE N N 120.526 0.079 1 319 344 54 ARG H H 9.053 0.005 1 320 344 54 ARG HA H 4.291 0.016 1 321 344 54 ARG HB2 H 1.619 0.01 2 322 344 54 ARG HB3 H 1.338 0.012 2 323 344 54 ARG C C 176.667 0.4 1 324 344 54 ARG CA C 57.764 0.23 1 325 344 54 ARG CB C 30.854 0.072 1 326 344 54 ARG N N 125.27 0.169 1 327 345 55 LYS H H 7.558 0.004 1 328 345 55 LYS HA H 4.411 0.013 1 329 345 55 LYS HB2 H 1.634 0.009 2 330 345 55 LYS HB3 H 1.634 0.009 2 331 345 55 LYS C C 173.009 0.4 1 332 345 55 LYS CA C 55.999 0.026 1 333 345 55 LYS CB C 36.616 0.059 1 334 345 55 LYS N N 116.304 0.062 1 335 346 56 ILE H H 8.224 0.004 1 336 346 56 ILE HA H 4.726 0.012 1 337 346 56 ILE HB H 1.59 0.01 1 338 346 56 ILE C C 174.188 0.4 1 339 346 56 ILE CA C 60.828 0.071 1 340 346 56 ILE CB C 40.806 0.076 1 341 346 56 ILE N N 122.803 0.06 1 342 347 57 LEU H H 9.26 0.005 1 343 347 57 LEU HA H 4.768 0.018 1 344 347 57 LEU HB2 H 1.364 0.025 2 345 347 57 LEU HB3 H 1.364 0.025 2 346 347 57 LEU C C 175.832 0.4 1 347 347 57 LEU CA C 52.769 0.051 1 348 347 57 LEU CB C 45.494 0.032 1 349 347 57 LEU N N 126.057 0.08 1 350 348 58 LEU H H 8.925 0.005 1 351 348 58 LEU HA H 4.356 0.028 1 352 348 58 LEU HB2 H 1.801 0.018 2 353 348 58 LEU HB3 H 1.594 0.014 2 354 348 58 LEU C C 176.47 0.4 1 355 348 58 LEU CA C 55.309 0.092 1 356 348 58 LEU CB C 41.548 0.097 1 357 348 58 LEU N N 122.858 0.064 1 358 349 59 VAL H H 8.627 0.008 1 359 349 59 VAL HA H 4.334 0.01 1 360 349 59 VAL CA C 59.371 0.373 1 361 349 59 VAL CB C 31.063 0.4 1 362 349 59 VAL N N 123.304 0.054 1 363 350 60 SER H H 8.748 0.04 1 364 350 60 SER HA H 3.935 0.012 1 365 350 60 SER HB2 H 4.29 0.009 2 366 350 60 SER HB3 H 4.29 0.009 2 367 350 60 SER C C 177.522 0.4 1 368 350 60 SER CA C 62.452 0.139 1 369 350 60 SER N N 124.129 0.4 1 370 351 61 ASP H H 9.01 0.004 1 371 351 61 ASP HA H 3.974 0.017 1 372 351 61 ASP HB2 H 1.831 0.02 2 373 351 61 ASP HB3 H 1.831 0.02 2 374 351 61 ASP C C 174.751 0.4 1 375 351 61 ASP CA C 56.245 0.049 1 376 351 61 ASP CB C 40.186 0.088 1 377 351 61 ASP N N 119.24 0.081 1 378 352 62 PHE H H 6.694 0.011 1 379 352 62 PHE HA H 4.044 0.029 1 380 352 62 PHE HB2 H 2.135 0.015 2 381 352 62 PHE HB3 H 2.135 0.015 2 382 352 62 PHE C C 173.318 0.4 1 383 352 62 PHE CA C 56.189 0.116 1 384 352 62 PHE CB C 39.825 0.13 1 385 352 62 PHE N N 110.17 0.068 1 386 353 63 ASN H H 7.692 0.006 1 387 353 63 ASN HA H 4.669 0.011 1 388 353 63 ASN HB2 H 3.331 0.015 2 389 353 63 ASN HB3 H 3.264 0.008 2 390 353 63 ASN C C 174.381 0.4 1 391 353 63 ASN CA C 54.229 0.075 1 392 353 63 ASN CB C 37.951 0.227 1 393 353 63 ASN N N 114.991 0.091 1 394 354 64 GLY H H 7.709 0.005 1 395 354 64 GLY HA2 H 5.343 0.013 2 396 354 64 GLY HA3 H 4.054 0.009 2 397 354 64 GLY C C 173.091 0.4 1 398 354 64 GLY CA C 45.519 0.223 1 399 354 64 GLY N N 102.119 0.068 1 400 355 65 ALA H H 8.765 0.008 1 401 355 65 ALA HA H 5.047 0.012 1 402 355 65 ALA HB H 1.075 0.018 1 403 355 65 ALA C C 174.756 0.4 1 404 355 65 ALA CA C 51.453 0.057 1 405 355 65 ALA CB C 22.973 0.053 1 406 355 65 ALA N N 120.2 0.097 1 407 356 66 ILE H H 9.374 0.006 1 408 356 66 ILE HA H 4.718 0.006 1 409 356 66 ILE HB H 1.495 0.016 1 410 356 66 ILE C C 174.147 0.4 1 411 356 66 ILE CA C 60.523 0.129 1 412 356 66 ILE CB C 42.073 0.172 1 413 356 66 ILE N N 121.192 0.053 1 414 357 67 ILE H H 9.278 0.006 1 415 357 67 ILE HA H 4.425 0.014 1 416 357 67 ILE HB H 1.571 0.015 1 417 357 67 ILE C C 173.956 0.4 1 418 357 67 ILE CA C 59.829 0.115 1 419 357 67 ILE CB C 38.886 0.109 1 420 357 67 ILE N N 127.195 0.055 1 421 358 68 ILE H H 8.678 0.016 1 422 358 68 ILE HA H 4.38 0.051 1 423 358 68 ILE HB H 1.599 0.017 1 424 358 68 ILE C C 176.126 0.4 1 425 358 68 ILE CA C 61.035 0.196 1 426 358 68 ILE CB C 38.507 0.213 1 427 358 68 ILE N N 124.549 0.106 1 428 359 69 PHE H H 9.071 0.009 1 429 359 69 PHE HA H 5.122 0.011 1 430 359 69 PHE HB2 H 3.706 0.012 2 431 359 69 PHE HB3 H 3.058 0.015 2 432 359 69 PHE C C 175.433 0.4 1 433 359 69 PHE CA C 58.399 0.132 1 434 359 69 PHE CB C 41.647 0.05 1 435 359 69 PHE N N 126.057 0.067 1 436 360 70 ARG H H 8.259 0.005 1 437 360 70 ARG HA H 4.092 0.021 1 438 360 70 ARG HB2 H 1.838 0.015 2 439 360 70 ARG HB3 H 1.838 0.015 2 440 360 70 ARG C C 175.084 0.4 1 441 360 70 ARG CA C 58.736 0.186 1 442 360 70 ARG CB C 30.551 0.213 1 443 360 70 ARG N N 115.956 0.066 1 444 361 71 ASP H H 7.654 0.005 1 445 361 71 ASP HA H 4.884 0.016 1 446 361 71 ASP HB2 H 2.869 0.011 2 447 361 71 ASP HB3 H 2.869 0.011 2 448 361 71 ASP CA C 53.313 0.167 1 449 361 71 ASP CB C 44.241 0.074 1 450 361 71 ASP N N 113.785 0.065 1 451 362 72 SER HA H 4.31 0.001 1 452 362 72 SER HB2 H 3.948 0.013 2 453 362 72 SER HB3 H 3.758 0.014 2 454 362 72 SER C C 176.746 0.4 1 455 362 72 SER CA C 60.768 0.028 1 456 362 72 SER CB C 62.884 0.192 1 457 363 73 LYS H H 8.329 0.009 1 458 363 73 LYS HA H 4.137 0.017 1 459 363 73 LYS HB2 H 1.969 0.01 2 460 363 73 LYS HB3 H 1.79 0.013 2 461 363 73 LYS C C 176.192 0.4 1 462 363 73 LYS CA C 59.359 0.075 1 463 363 73 LYS CB C 31.573 0.142 1 464 363 73 LYS N N 125.855 0.05 1 465 364 74 PHE H H 8.465 0.009 1 466 364 74 PHE HA H 3.955 0.014 1 467 364 74 PHE HB2 H 3.158 0.018 2 468 364 74 PHE HB3 H 2.956 0.018 2 469 364 74 PHE C C 177.652 0.4 1 470 364 74 PHE CA C 61.433 0.118 1 471 364 74 PHE CB C 39.98 0.103 1 472 364 74 PHE N N 123.099 0.104 1 473 365 75 ALA H H 7.806 0.009 1 474 365 75 ALA HA H 3.394 0.024 1 475 365 75 ALA HB H 1.517 0.019 1 476 365 75 ALA C C 178.115 0.4 1 477 365 75 ALA CA C 55.608 0.049 1 478 365 75 ALA CB C 18.412 0.131 1 479 365 75 ALA N N 119.412 0.101 1 480 366 76 ALA H H 7.669 0.005 1 481 366 76 ALA HA H 4.029 0.011 1 482 366 76 ALA HB H 1.478 0.008 1 483 366 76 ALA C C 180.534 0.4 1 484 366 76 ALA CA C 55.035 0.05 1 485 366 76 ALA CB C 18.039 0.111 1 486 366 76 ALA N N 117.629 0.048 1 487 367 77 LYS H H 7.287 0.005 1 488 367 77 LYS HA H 3.987 0.011 1 489 367 77 LYS HB2 H 1.67 0.013 2 490 367 77 LYS HB3 H 1.67 0.013 2 491 367 77 LYS C C 178.953 0.4 1 492 367 77 LYS CA C 58.781 0.061 1 493 367 77 LYS CB C 32.131 0.046 1 494 367 77 LYS N N 118.277 0.052 1 495 368 78 MET H H 7.768 0.005 1 496 368 78 MET CA C 55.793 0.4 1 497 368 78 MET CB C 32.382 0.4 1 498 368 78 MET N N 117.585 0.081 1 499 369 79 LEU HA H 3.784 0.013 1 500 369 79 LEU HB2 H 1.817 0.01 2 501 369 79 LEU HB3 H 1.817 0.01 2 502 369 79 LEU C C 179.068 0.4 1 503 369 79 LEU CA C 59.451 0.139 1 504 369 79 LEU CB C 42.333 0.066 1 505 370 80 MET H H 7.003 0.007 1 506 370 80 MET HA H 4.266 0.008 1 507 370 80 MET HB2 H 2.175 0.015 2 508 370 80 MET HB3 H 2.175 0.015 2 509 370 80 MET C C 178.218 0.4 1 510 370 80 MET CA C 57.547 0.209 1 511 370 80 MET CB C 32.434 0.25 1 512 370 80 MET N N 114.092 0.068 1 513 371 81 ILE H H 7.609 0.008 1 514 371 81 ILE HA H 3.88 0.014 1 515 371 81 ILE HB H 1.786 0.012 1 516 371 81 ILE C C 177.556 0.4 1 517 371 81 ILE CA C 63.566 0.069 1 518 371 81 ILE CB C 38.906 0.066 1 519 371 81 ILE N N 118.052 0.04 1 520 372 82 LEU H H 8.149 0.005 1 521 372 82 LEU HA H 4.094 0.009 1 522 372 82 LEU HB2 H 1.758 0.021 2 523 372 82 LEU HB3 H 1.758 0.021 2 524 372 82 LEU C C 178.374 0.4 1 525 372 82 LEU CA C 56.059 0.035 1 526 372 82 LEU CB C 42.364 0.105 1 527 372 82 LEU N N 116.807 0.077 1 528 373 83 ASN H H 7.055 0.005 1 529 373 83 ASN HA H 4.335 0.017 1 530 373 83 ASN HB2 H 3.066 0.016 2 531 373 83 ASN HB3 H 2.903 0.032 2 532 373 83 ASN C C 174.023 0.4 1 533 373 83 ASN CA C 55.719 0.104 1 534 373 83 ASN CB C 38.469 0.066 1 535 373 83 ASN N N 116.97 0.05 1 536 374 84 GLY H H 9.038 0.007 1 537 374 84 GLY HA2 H 4.224 0.013 2 538 374 84 GLY HA3 H 3.63 0.017 2 539 374 84 GLY C C 174.544 0.4 1 540 374 84 GLY CA C 45.909 0.052 1 541 374 84 GLY N N 116.833 0.109 1 542 375 85 SER H H 7.658 0.006 1 543 375 85 SER HA H 4.401 0.017 1 544 375 85 SER HB2 H 3.996 0.004 2 545 375 85 SER HB3 H 3.996 0.004 2 546 375 85 SER C C 171.615 0.4 1 547 375 85 SER CA C 59.322 0.15 1 548 375 85 SER CB C 64.365 0.112 1 549 375 85 SER N N 116.648 0.074 1 550 376 86 GLN H H 8.38 0.007 1 551 376 86 GLN HA H 4.878 0.01 1 552 376 86 GLN HB2 H 1.882 0.011 2 553 376 86 GLN HB3 H 1.827 0.009 2 554 376 86 GLN CA C 54.989 0.109 1 555 376 86 GLN CB C 30.773 0.104 1 556 376 86 GLN N N 117.776 0.082 1 557 377 87 PHE H H 8.954 0.007 1 558 377 87 PHE HA H 4.467 0.04 1 559 377 87 PHE C C 174.835 0.4 1 560 377 87 PHE CA C 56.282 0.105 1 561 377 87 PHE CB C 41.653 0.107 1 562 377 87 PHE N N 123.96 0.083 1 563 378 88 GLN H H 9.125 0.009 1 564 378 88 GLN HA H 3.501 0.01 1 565 378 88 GLN HB2 H 1.805 0.01 2 566 378 88 GLN HB3 H 1.551 0.012 2 567 378 88 GLN C C 176.17 0.4 1 568 378 88 GLN CA C 56.551 0.073 1 569 378 88 GLN CB C 26.057 0.255 1 570 378 88 GLN N N 125.992 0.134 1 571 379 89 GLY H H 8.581 0.009 1 572 379 89 GLY HA2 H 4.002 0.009 2 573 379 89 GLY HA3 H 3.544 0.017 2 574 379 89 GLY C C 173.621 0.4 1 575 379 89 GLY CA C 45.494 0.045 1 576 379 89 GLY N N 103.261 0.115 1 577 380 90 LYS H H 7.442 0.005 1 578 380 90 LYS HA H 4.701 0.015 1 579 380 90 LYS HB2 H 1.847 0.012 2 580 380 90 LYS HB3 H 1.677 0.016 2 581 380 90 LYS C C 174.525 0.4 1 582 380 90 LYS CA C 54.152 0.031 1 583 380 90 LYS CB C 35.874 0.068 1 584 380 90 LYS N N 119.767 0.054 1 585 381 91 VAL H H 8.244 0.006 1 586 381 91 VAL HA H 4.278 0.013 1 587 381 91 VAL HB H 1.879 0.007 1 588 381 91 VAL C C 176.366 0.4 1 589 381 91 VAL CA C 63.217 0.065 1 590 381 91 VAL CB C 32.104 0.089 1 591 381 91 VAL N N 121.398 0.035 1 592 382 92 ILE H H 8.771 0.008 1 593 382 92 ILE HA H 4.518 0.016 1 594 382 92 ILE HB H 1.563 0.012 1 595 382 92 ILE C C 173.553 0.4 1 596 382 92 ILE CA C 59.306 0.16 1 597 382 92 ILE CB C 42.007 0.159 1 598 382 92 ILE N N 124.639 0.101 1 599 383 93 ARG H H 8.488 0.006 1 600 383 93 ARG HA H 4.596 0.011 1 601 383 93 ARG HB2 H 1.345 0.007 2 602 383 93 ARG HB3 H 1.345 0.007 2 603 383 93 ARG C C 173.929 0.4 1 604 383 93 ARG CA C 53.213 0.028 1 605 383 93 ARG CB C 31.904 0.073 1 606 383 93 ARG N N 119.739 0.085 1 607 384 94 SER H H 7.695 0.005 1 608 384 94 SER HA H 5.677 0.011 1 609 384 94 SER HB2 H 3.751 0.012 2 610 384 94 SER HB3 H 3.438 0.016 2 611 384 94 SER C C 174.794 0.4 1 612 384 94 SER CA C 54.465 0.076 1 613 384 94 SER CB C 67.227 0.056 1 614 384 94 SER N N 110.37 0.056 1 615 385 95 GLY H H 8.347 0.005 1 616 385 95 GLY HA2 H 4.351 0.014 2 617 385 95 GLY HA3 H 4.516 0.014 2 618 385 95 GLY C C 171.669 0.4 1 619 385 95 GLY CA C 45.938 0.055 1 620 385 95 GLY N N 106.73 0.057 1 621 386 96 THR H H 9.261 0.006 1 622 386 96 THR HA H 4.279 0.011 1 623 386 96 THR HB H 4.903 0.015 1 624 386 96 THR C C 175.603 0.4 1 625 386 96 THR CA C 60.909 0.087 1 626 386 96 THR CB C 71.756 0.046 1 627 386 96 THR N N 111.47 0.039 1 628 387 97 ILE H H 9.35 0.005 1 629 387 97 ILE HA H 3.874 0.008 1 630 387 97 ILE HB H 1.766 0.001 1 631 387 97 ILE C C 178.133 0.4 1 632 387 97 ILE CA C 65.695 0.325 1 633 387 97 ILE CB C 37.672 0.056 1 634 387 97 ILE N N 121.295 0.068 1 635 388 98 ASN H H 8.144 0.004 1 636 388 98 ASN HA H 4.222 0.009 1 637 388 98 ASN HB2 H 2.659 0.01 2 638 388 98 ASN HB3 H 2.63 0.008 2 639 388 98 ASN C C 178.048 0.4 1 640 388 98 ASN CA C 56.252 0.097 1 641 388 98 ASN CB C 37.805 0.046 1 642 388 98 ASN N N 117.353 0.134 1 643 389 99 ASP H H 7.848 0.005 1 644 389 99 ASP HA H 4.254 0.011 1 645 389 99 ASP HB2 H 3.068 0.009 2 646 389 99 ASP HB3 H 2.793 0.017 2 647 389 99 ASP C C 177.852 0.4 1 648 389 99 ASP CA C 57.648 0.074 1 649 389 99 ASP CB C 40.346 0.347 1 650 389 99 ASP N N 121.333 0.039 1 651 390 100 MET H H 7.861 0.004 1 652 390 100 MET HA H 4.1 0.004 1 653 390 100 MET HB2 H 1.846 0.015 2 654 390 100 MET HB3 H 1.846 0.015 2 655 390 100 MET C C 178.124 0.4 1 656 390 100 MET CA C 58.483 0.144 1 657 390 100 MET CB C 32.351 0.103 1 658 390 100 MET N N 122.877 0.053 1 659 391 101 LYS H H 7.983 0.006 1 660 391 101 LYS HA H 3.482 0.017 1 661 391 101 LYS HB2 H 1.522 0.012 2 662 391 101 LYS HB3 H 1.522 0.012 2 663 391 101 LYS C C 178.074 0.4 1 664 391 101 LYS CA C 60.149 0.104 1 665 391 101 LYS CB C 32.569 0.091 1 666 391 101 LYS N N 118.742 0.048 1 667 392 102 ARG H H 8.067 0.004 1 668 392 102 ARG HA H 3.951 0.04 1 669 392 102 ARG CA C 59.575 0.4 1 670 392 102 ARG CB C 30.347 0.083 1 671 392 102 ARG N N 119.015 0.071 1 672 393 103 TYR H H 8.046 0.005 1 673 393 103 TYR C C 179.263 0.4 1 674 393 103 TYR CA C 61.969 0.059 1 675 393 103 TYR CB C 39.631 0.057 1 676 393 103 TYR N N 119.85 0.039 1 677 394 104 TYR H H 7.826 0.003 1 678 394 104 TYR HA H 4.15 0.007 1 679 394 104 TYR HB2 H 3.496 0.007 2 680 394 104 TYR HB3 H 3.268 0.007 2 681 394 104 TYR C C 177.957 0.4 1 682 394 104 TYR CA C 61.738 0.09 1 683 394 104 TYR CB C 39.18 0.072 1 684 394 104 TYR N N 119.349 0.071 1 685 395 105 ASN H H 8.483 0.008 1 686 395 105 ASN HA H 4.413 0.012 1 687 395 105 ASN HB2 H 2.828 0.005 2 688 395 105 ASN HB3 H 2.828 0.005 2 689 395 105 ASN C C 176.981 0.4 1 690 395 105 ASN CA C 55.599 0.068 1 691 395 105 ASN CB C 38.649 0.077 1 692 395 105 ASN N N 117.41 0.051 1 693 396 106 ASN H H 8.077 0.004 1 694 396 106 ASN HA H 4.541 0.008 1 695 396 106 ASN HB2 H 2.74 0.006 2 696 396 106 ASN HB3 H 2.74 0.006 2 697 396 106 ASN C C 176.412 0.4 1 698 396 106 ASN CA C 54.762 0.064 1 699 396 106 ASN CB C 38.644 0.099 1 700 396 106 ASN N N 118.12 0.065 1 701 397 107 GLN H H 7.754 0.01 1 702 397 107 GLN HA H 4.02 0.012 1 703 397 107 GLN HB2 H 1.962 0.008 2 704 397 107 GLN HB3 H 1.962 0.008 2 705 397 107 GLN C C 177.074 0.4 1 706 397 107 GLN CA C 56.798 0.067 1 707 397 107 GLN CB C 28.63 0.085 1 708 397 107 GLN N N 118.582 0.096 1 709 398 108 GLN H H 7.824 0.005 1 710 398 108 GLN CA C 56.435 0.4 1 711 398 108 GLN CB C 28.786 0.4 1 712 398 108 GLN N N 118.192 0.07 1 713 403 113 LYS HA H 4.113 0.009 1 714 403 113 LYS HB2 H 1.85 0.04 2 715 403 113 LYS HB3 H 1.85 0.04 2 716 403 113 LYS C C 176.22 0.4 1 717 403 113 LYS CA C 56.817 0.049 1 718 403 113 LYS CB C 30.245 0.018 1 719 404 114 HIS H H 8.13 0.012 1 720 404 114 HIS HA H 4.606 0.007 1 721 404 114 HIS HB2 H 3.033 0.012 2 722 404 114 HIS HB3 H 3.033 0.012 2 723 404 114 HIS C C 175.243 0.4 1 724 404 114 HIS CA C 56.338 0.093 1 725 404 114 HIS CB C 31.049 0.109 1 726 404 114 HIS N N 119.598 0.096 1 727 405 115 VAL H H 7.929 0.013 1 728 405 115 VAL HA H 4.053 0.01 1 729 405 115 VAL HB H 2.009 0.022 1 730 405 115 VAL C C 175.587 0.4 1 731 405 115 VAL CA C 62.136 0.093 1 732 405 115 VAL CB C 32.875 0.075 1 733 405 115 VAL N N 122.004 0.09 1 734 406 116 LYS H H 8.405 0.005 1 735 406 116 LYS HA H 4.58 0.009 1 736 406 116 LYS HB2 H 1.723 0.004 2 737 406 116 LYS HB3 H 1.723 0.004 2 738 406 116 LYS CA C 54.193 0.04 1 739 406 116 LYS CB C 32.796 0.4 1 740 406 116 LYS N N 126.915 0.057 1 741 407 117 PRO HA H 4.433 0.005 1 742 407 117 PRO HB2 H 2.28 0.016 2 743 407 117 PRO HB3 H 2.28 0.016 2 744 407 117 PRO C C 176.138 0.4 1 745 407 117 PRO CA C 63.535 0.013 1 746 407 117 PRO CB C 32.227 0.4 1 747 408 118 SER H H 7.977 0.006 1 748 408 118 SER CA C 60.147 0.4 1 749 408 118 SER CB C 64.982 0.4 1 750 408 118 SER N N 121.857 0.04 1 751 409 119 CYS HA H 4.534 0.005 1 752 409 119 CYS HB2 H 2.93 0.011 2 753 409 119 CYS HB3 H 2.93 0.011 2 754 409 119 CYS C C 174.775 0.4 1 755 409 119 CYS CA C 58.688 0.055 1 756 409 119 CYS CB C 28.333 0.071 1 757 410 120 ILE H H 8.117 0.003 1 758 410 120 ILE CA C 61.645 0.4 1 759 410 120 ILE CB C 38.868 0.4 1 760 410 120 ILE N N 122.46 0.051 1 761 412 122 MET C C 176.296 0.4 1 762 412 122 MET CB C 32.438 0.4 1 763 413 123 MET H H 8.26 0.005 1 764 413 123 MET HA H 4.431 0.019 1 765 413 123 MET HB2 H 2.047 0.012 2 766 413 123 MET HB3 H 2.047 0.012 2 767 413 123 MET C C 176.222 0.4 1 768 413 123 MET CA C 55.723 0.059 1 769 413 123 MET CB C 32.636 0.219 1 770 413 123 MET N N 120.417 0.047 1 771 414 124 GLU H H 8.265 0.006 1 772 414 124 GLU HA H 4.246 0.012 1 773 414 124 GLU HB2 H 2.007 0.02 2 774 414 124 GLU HB3 H 2.007 0.02 2 775 414 124 GLU C C 176.272 0.4 1 776 414 124 GLU CA C 56.712 0.085 1 777 414 124 GLU CB C 30.348 0.083 1 778 414 124 GLU N N 121.879 0.21 1 779 415 125 LYS H H 8.323 0.007 1 780 415 125 LYS HA H 4.352 0.011 1 781 415 125 LYS HB2 H 1.83 0.03 2 782 415 125 LYS HB3 H 1.83 0.03 2 783 415 125 LYS C C 176.663 0.4 1 784 415 125 LYS CA C 56.245 0.079 1 785 415 125 LYS CB C 33.305 0.049 1 786 415 125 LYS N N 122.018 0.055 1 787 416 126 GLY H H 8.223 0.005 1 788 416 126 GLY HA2 H 4.121 0.011 2 789 416 126 GLY HA3 H 4.041 0.005 2 790 416 126 GLY CA C 44.716 0.052 1 791 416 126 GLY N N 109.821 0.036 1 792 418 128 ASN HA H 4.734 0.04 1 793 418 128 ASN HB2 H 2.722 0.04 2 794 418 128 ASN HB3 H 2.722 0.04 2 795 418 128 ASN C C 174.865 0.4 1 796 418 128 ASN CA C 53.256 0.4 1 797 418 128 ASN CB C 38.598 0.4 1 798 419 129 LEU H H 8.379 0.007 1 799 419 129 LEU C C 177.3 0.4 1 800 419 129 LEU CA C 55.344 0.027 1 801 419 129 LEU CB C 42.407 0.056 1 802 419 129 LEU N N 123.261 0.095 1 803 420 130 GLN H H 8.289 0.003 1 804 420 130 GLN HA H 4.309 0.04 1 805 420 130 GLN HB2 H 2.017 0.008 2 806 420 130 GLN HB3 H 2.017 0.008 2 807 420 130 GLN C C 175.898 0.4 1 808 420 130 GLN CA C 55.869 0.041 1 809 420 130 GLN CB C 29.363 0.064 1 810 420 130 GLN N N 120.869 0.034 1 811 421 131 VAL H H 8.048 0.007 1 812 421 131 VAL HA H 4.043 0.007 1 813 421 131 VAL HB H 2.02 0.004 1 814 421 131 VAL C C 176.037 0.4 1 815 421 131 VAL CA C 62.42 0.063 1 816 421 131 VAL CB C 32.801 0.047 1 817 421 131 VAL N N 121.496 0.03 1 818 422 132 LYS H H 8.358 0.006 1 819 422 132 LYS HA H 4.253 0.015 1 820 422 132 LYS HB2 H 1.747 0.01 2 821 422 132 LYS HB3 H 1.747 0.01 2 822 422 132 LYS C C 176.186 0.4 1 823 422 132 LYS CA C 56.175 0.037 1 824 422 132 LYS CB C 33.14 0.07 1 825 422 132 LYS N N 125.565 0.036 1 826 423 133 LYS H H 8.285 0.004 1 827 423 133 LYS HA H 4.248 0.008 1 828 423 133 LYS HB2 H 1.719 0.04 2 829 423 133 LYS HB3 H 1.719 0.04 2 830 423 133 LYS C C 176.146 0.4 1 831 423 133 LYS CA C 56.207 0.041 1 832 423 133 LYS CB C 33.381 0.091 1 833 423 133 LYS N N 123.486 0.065 1 834 424 134 LYS H H 8.37 0.008 1 835 424 134 LYS HA H 4.257 0.04 1 836 424 134 LYS HB2 H 1.726 0.004 2 837 424 134 LYS HB3 H 1.726 0.004 2 838 424 134 LYS C C 176.167 0.4 1 839 424 134 LYS CA C 56.406 0.051 1 840 424 134 LYS CB C 33.222 0.053 1 841 424 134 LYS N N 123.767 0.11 1 842 425 135 ILE H H 8.24 0.009 1 843 425 135 ILE CA C 58.611 0.4 1 844 425 135 ILE CB C 38.729 0.4 1 845 425 135 ILE N N 124.55 0.052 1 846 426 136 PRO HA H 4.398 0.018 1 847 426 136 PRO HB2 H 2.256 0.003 2 848 426 136 PRO HB3 H 1.877 0.005 2 849 426 136 PRO C C 176.455 0.4 1 850 426 136 PRO CA C 63.255 0.019 1 851 426 136 PRO CB C 32.302 0.024 1 852 427 137 ASP H H 8.385 0.004 1 853 427 137 ASP HA H 4.512 0.01 1 854 427 137 ASP HB2 H 2.63 0.013 2 855 427 137 ASP HB3 H 2.63 0.013 2 856 427 137 ASP C C 176.27 0.4 1 857 427 137 ASP CA C 54.62 0.012 1 858 427 137 ASP CB C 41.55 0.016 1 859 427 137 ASP N N 121.068 0.031 1 860 428 138 LYS H H 8.263 0.003 1 861 428 138 LYS C C 176.444 0.4 1 862 428 138 LYS CA C 56.634 0.116 1 863 428 138 LYS CB C 33.013 0.073 1 864 428 138 LYS N N 121.089 0.098 1 865 429 139 GLN H H 8.443 0.006 1 866 429 139 GLN HA H 4.247 0.013 1 867 429 139 GLN HB2 H 2.08 0.04 2 868 429 139 GLN HB3 H 1.964 0.013 2 869 429 139 GLN C C 176.259 0.4 1 870 429 139 GLN CA C 56.406 0.14 1 871 429 139 GLN CB C 29.407 0.13 1 872 429 139 GLN N N 121.338 0.012 1 873 430 140 GLU H H 8.453 0.004 1 874 430 140 GLU HA H 4.216 0.002 1 875 430 140 GLU HB2 H 2.249 0.01 2 876 430 140 GLU HB3 H 1.991 0.04 2 877 430 140 GLU C C 176.51 0.4 1 878 430 140 GLU CA C 57.059 0.055 1 879 430 140 GLU CB C 30.319 0.061 1 880 430 140 GLU N N 122.014 0.028 1 881 431 141 GLN H H 8.35 0.006 1 882 431 141 GLN HA H 4.292 0.024 1 883 431 141 GLN HB2 H 2.017 0.026 2 884 431 141 GLN HB3 H 2.017 0.026 2 885 431 141 GLN C C 176.037 0.4 1 886 431 141 GLN CA C 56.102 0.006 1 887 431 141 GLN CB C 29.429 0.115 1 888 431 141 GLN N N 120.578 0.038 1 889 432 142 MET H H 8.311 0.003 1 890 432 142 MET N N 121.327 0.037 1 891 434 144 ASN HA H 4.674 0.011 1 892 434 144 ASN HB2 H 2.84 0.006 2 893 434 144 ASN HB3 H 2.84 0.006 2 894 434 144 ASN C C 175.915 0.4 1 895 434 144 ASN CA C 54.459 0.4 1 896 434 144 ASN CB C 38.718 0.058 1 897 435 145 ASP H H 8.36 0.003 1 898 435 145 ASP HA H 4.494 0.006 1 899 435 145 ASP HB2 H 2.6 0.006 2 900 435 145 ASP HB3 H 2.6 0.006 2 901 435 145 ASP C C 176.776 0.4 1 902 435 145 ASP CA C 55.668 0.097 1 903 435 145 ASP CB C 41.2 0.043 1 904 435 145 ASP N N 120.354 0.063 1 905 436 146 ASP H H 8.103 0.008 1 906 436 146 ASP C C 174.221 0.4 1 907 436 146 ASP CA C 55.806 0.091 1 908 436 146 ASP CB C 40.832 0.073 1 909 436 146 ASP N N 120.424 0.041 1 910 437 147 PHE H H 8.216 0.004 1 911 437 147 PHE HA H 4.41 0.007 1 912 437 147 PHE HB2 H 3.134 0.001 2 913 437 147 PHE HB3 H 3.059 0.04 2 914 437 147 PHE C C 176.754 0.4 1 915 437 147 PHE CA C 59.742 0.062 1 916 437 147 PHE CB C 39.168 0.152 1 917 437 147 PHE N N 120.893 0.042 1 918 438 148 ARG H H 8.053 0.007 1 919 438 148 ARG HA H 4.033 0.04 1 920 438 148 ARG HB2 H 1.823 0.04 2 921 438 148 ARG HB3 H 1.823 0.04 2 922 438 148 ARG C C 177.337 0.4 1 923 438 148 ARG CA C 57.979 0.4 1 924 438 148 ARG CB C 30.21 0.101 1 925 438 148 ARG N N 119.813 0.049 1 926 439 149 LYS H H 7.887 0.005 1 927 439 149 LYS CA C 57.773 0.002 1 928 439 149 LYS CB C 32.814 0.059 1 929 439 149 LYS N N 119.176 0.076 1 930 440 150 MET H H 7.911 0.007 1 931 440 150 MET CA C 56.596 0.4 1 932 440 150 MET CB C 32.98 0.4 1 933 440 150 MET N N 118.928 0.081 1 934 441 151 PHE HA H 4.665 0.016 1 935 441 151 PHE HB2 H 2.831 0.012 2 936 441 151 PHE HB3 H 2.748 0.028 2 937 441 151 PHE C C 175.24 0.4 1 938 441 151 PHE CA C 53.331 0.045 1 939 441 151 PHE CB C 38.562 0.08 1 940 442 152 LEU H H 8.189 0.007 1 941 442 152 LEU HA H 4.3 0.014 1 942 442 152 LEU HB2 H 1.64 0.015 2 943 442 152 LEU HB3 H 1.592 0.019 2 944 442 152 LEU C C 177.796 0.4 1 945 442 152 LEU CA C 55.38 0.104 1 946 442 152 LEU CB C 42.238 0.053 1 947 442 152 LEU N N 122.759 0.043 1 948 443 153 GLY H H 7.956 0.005 1 949 443 153 GLY HA2 H 3.884 0.011 2 950 443 153 GLY HA3 H 3.884 0.011 2 951 443 153 GLY C C 174.225 0.4 1 952 443 153 GLY CA C 45.599 0.045 1 953 443 153 GLY N N 108.566 0.032 1 954 444 154 GLU H H 8.208 0.005 1 955 444 154 GLU HA H 4.249 0.013 1 956 444 154 GLU HB2 H 2.035 0.04 2 957 444 154 GLU HB3 H 1.9 0.009 2 958 444 154 GLU C C 176.659 0.4 1 959 444 154 GLU CA C 56.802 0.076 1 960 444 154 GLU CB C 30.382 0.067 1 961 444 154 GLU N N 120.29 0.031 1 962 445 155 LEU H H 8.169 0.003 1 963 445 155 LEU HA H 4.248 0.007 1 964 445 155 LEU HB2 H 1.538 0.003 2 965 445 155 LEU HB3 H 1.538 0.003 2 966 445 155 LEU C C 177.384 0.4 1 967 445 155 LEU CA C 55.547 0.062 1 968 445 155 LEU CB C 42.425 0.097 1 969 445 155 LEU N N 121.973 0.049 1 970 446 156 GLU H H 8.238 0.009 1 971 446 156 GLU HA H 4.552 0.001 1 972 446 156 GLU C C 174.177 0.4 1 973 446 156 GLU CA C 56.16 0.086 1 974 446 156 GLU CB C 30.779 0.091 1 975 446 156 GLU N N 120.646 0.049 1 976 447 157 HIS H H 7.893 0.024 1 977 447 157 HIS CA C 57.62 0.4 1 978 447 157 HIS CB C 30.969 0.4 1 979 447 157 HIS N N 125.713 0.099 1 stop_ save_