data_17490 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the C-terminal domain of Prp24 ; _BMRB_accession_number 17490 _BMRB_flat_file_name bmr17490.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 'The solution structure of the C-terminal domain of Prp24, containing an RRM with flanking alpha helices.' 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" 679 "13C chemical shifts" 492 "15N chemical shifts" 121 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 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 'C-terminal domain of Prp24' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label L4W $L4W 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_L4W _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common L4W _Molecular_mass 12568.729 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; MFLERNEVKRLLASRNSKEL ETLICLFPLSDKVSPSLICQ FLQEEIHINEKDIRKILLVS DFNGAIIIFRDSKFAAKMLM ILNGSQFQGKVIRSGTINDM KRYYNNQQNHWHHHHHH ; 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 TRP 112 402 HIS 113 403 HIS 114 404 HIS 115 405 HIS 116 406 HIS 117 407 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 17491 L4C 97.44 162 97.37 97.37 5.99e-72 PDB 2L9W "Solution Structure Of The C-Terminal Domain Of Prp24" 100.00 117 100.00 100.00 2.14e-79 PDB 4N0T "Core Structure Of The U6 Small Nuclear Ribonucleoprotein At 1.7 Angstrom Resolution" 98.29 374 99.13 99.13 1.42e-73 DBJ GAA25719 "K7_Prp24p [Saccharomyces cerevisiae Kyokai no. 7]" 93.16 444 98.17 100.00 1.12e-67 EMBL CAA89251 "U6sNRPp [Saccharomyces cerevisiae]" 96.58 444 97.35 97.35 6.57e-69 EMBL CAY82100 "Prp24p [Saccharomyces cerevisiae EC1118]" 96.58 444 97.35 97.35 6.57e-69 GB AAU09775 "YMR268C [Saccharomyces cerevisiae]" 96.58 444 97.35 97.35 7.09e-69 GB AHY76723 "Prp24p [Saccharomyces cerevisiae YJM993]" 96.58 444 97.35 97.35 6.57e-69 GB AJP40962 "Prp24p [Saccharomyces cerevisiae YJM1078]" 96.58 444 97.35 97.35 6.50e-69 GB AJS62134 "Prp24p [Saccharomyces cerevisiae YJM189]" 96.58 444 97.35 97.35 6.57e-69 GB AJS62569 "Prp24p [Saccharomyces cerevisiae YJM193]" 96.58 444 97.35 97.35 6.64e-69 REF NP_013995 "U6 snRNP complex subunit PRP24 [Saccharomyces cerevisiae S288c]" 96.58 444 97.35 97.35 6.57e-69 SP P49960 "RecName: Full=U4/U6 snRNA-associated-splicing factor PRP24; Short=U4/U6 snRNP protein" 96.58 444 97.35 97.35 6.57e-69 TPG DAA10168 "TPA: U6 snRNP complex subunit PRP24 [Saccharomyces cerevisiae S288c]" 96.58 444 97.35 97.35 6.57e-69 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 $L4W '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 $L4W '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 $L4W 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' H2O 9 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13C15N_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L4W 600 uM '[U-99% 13C; U-99% 15N]' 'potassium phosphate pH 6' 18 mM '[U-99% 2H]' 'potassium chloride' 45 mM '[U-99% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_Reference _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L4W 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' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_Unlabeled_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L4W 600 uM 'natural abundance' 'potassium phosphate pH 6' 18 mM '[U-99% 2H]' 'potassium chloride' 45 mM '[U-99% 2H]' D2O 100 % 'natural abundance' stop_ save_ save_Aligned _Saveframe_category sample _Sample_type bicelle _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $L4W 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' 'DMPC/DHPC q=3' 6.5 % 'natural abundance' CTAB 0.67 mg/mL 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 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_ save_HADDOCK _Saveframe_category software _Name HADDOCK _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Alexandre Bonvin' . . stop_ loop_ _Task 'data analysis' refinement stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version 08 loop_ _Vendor _Address _Electronic_address 'Torsten Herrmann' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_nmr_structure_tools _Saveframe_category software _Name nmr_structure_tools _Version . loop_ _Vendor _Address _Electronic_address 'Lawrence J Clos' . . 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 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_spectrometer_3 _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_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C15N_H2O save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C15N_H2O save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C15N_H2O save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $13C15N_H2O save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C15N_H2O save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $13C15N_H2O save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $13C15N_D2O save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $13C15N_D2O save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $Unlabeled_D2O save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C15N_D2O save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $13C15N_D2O save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $13C15N_D2O save_ save_2D_1H-13C_HSQC_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $Reference save_ save_2D-NHSQC-IPAP_16 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NHSQC-IPAP _Sample_label $13C15N_H2O save_ save_2D-NHSQC-IPAP_17 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NHSQC-IPAP _Sample_label $Aligned save_ save_3D-Jmodulated-CHSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-Jmodulated-CHSQC _Sample_label $13C15N_H2O save_ save_3D-Jmodulated-CHSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-Jmodulated-CHSQC _Sample_label $Aligned 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_ save_RDCs _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 1H-15N NOESY' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-1H NOESY' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $13C15N_H2O $13C15N_D2O $Unlabeled_D2O $Reference stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name L4W _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 1 292 2 PHE HA H 4.673 0.01 1 2 292 2 PHE HB2 H 3.108 0.008 2 3 292 2 PHE HB3 H 3.108 0.008 2 4 292 2 PHE HD1 H 7.287 0.005 3 5 292 2 PHE HD2 H 7.287 0.005 3 6 292 2 PHE HE1 H 6.28 0.007 3 7 292 2 PHE HE2 H 6.28 0.007 3 8 292 2 PHE C C 175.325 0 . 9 292 2 PHE CA C 58.074 0.085 1 10 292 2 PHE CB C 39.38 0.048 1 11 292 2 PHE CD1 C 129.857 0 . 12 292 2 PHE CD2 C 129.857 0 . 13 292 2 PHE CE1 C 131.325 0 . 14 292 2 PHE CE2 C 131.325 0 . 15 293 3 LEU H H 8.321 0.006 1 16 293 3 LEU HA H 4.292 0.01 1 17 293 3 LEU HB2 H 1.594 0.02 2 18 293 3 LEU HB3 H 1.543 0.018 2 19 293 3 LEU HG H 1.538 0.002 1 20 293 3 LEU HD1 H 0.891 0 2 21 293 3 LEU HD2 H 0.877 0.006 2 22 293 3 LEU C C 177.442 0 . 23 293 3 LEU CA C 55.523 0.048 1 24 293 3 LEU CB C 42.516 0.051 1 25 293 3 LEU CG C 26.963 0.006 1 26 293 3 LEU CD1 C 24.919 0.001 2 27 293 3 LEU CD2 C 23.803 0.15 2 28 293 3 LEU N N 125.082 0.046 1 29 294 4 GLU H H 8.521 0.006 1 30 294 4 GLU HA H 4.069 0.001 1 31 294 4 GLU HB2 H 2.058 0.004 2 32 294 4 GLU HB3 H 2.058 0.004 2 33 294 4 GLU HG2 H 2.283 0.005 2 34 294 4 GLU HG3 H 2.283 0.005 2 35 294 4 GLU C C 177.158 0 . 36 294 4 GLU CA C 58.307 0.074 1 37 294 4 GLU CB C 29.676 0.073 1 38 294 4 GLU CG C 36.955 0.041 1 39 294 4 GLU N N 122.906 0.042 1 40 295 5 ARG H H 8.327 0.006 1 41 295 5 ARG HA H 4.131 0.008 1 42 295 5 ARG HB2 H 1.848 0.004 2 43 295 5 ARG HB3 H 1.848 0.004 2 44 295 5 ARG HG2 H 1.66 0.006 2 45 295 5 ARG HG3 H 1.66 0.006 2 46 295 5 ARG HD2 H 3.187 0.01 2 47 295 5 ARG HD3 H 3.187 0.01 2 48 295 5 ARG C C 177.768 0 . 49 295 5 ARG CA C 58.082 0.145 1 50 295 5 ARG CB C 30.192 0.135 1 51 295 5 ARG CG C 27.247 0.016 1 52 295 5 ARG CD C 43.178 0.101 1 53 295 5 ARG N N 120.27 0.041 1 54 296 6 ASN H H 8.257 0.009 1 55 296 6 ASN HA H 4.554 0.009 1 56 296 6 ASN HB2 H 2.847 0.006 2 57 296 6 ASN HB3 H 2.847 0.006 2 58 296 6 ASN HD21 H 7.748 0 2 59 296 6 ASN HD22 H 7.024 0 2 60 296 6 ASN C C 176.83 0 . 61 296 6 ASN CA C 54.901 0.072 1 62 296 6 ASN CB C 38.115 0.069 1 63 296 6 ASN N N 118.639 0.047 1 64 296 6 ASN ND2 N 112.891 0 1 65 297 7 GLU H H 8.185 0.009 1 66 297 7 GLU HA H 4.266 0.012 1 67 297 7 GLU HB2 H 1.952 0.008 2 68 297 7 GLU HB3 H 1.952 0.008 2 69 297 7 GLU HG2 H 2.199 0.006 2 70 297 7 GLU HG3 H 2.199 0.006 2 71 297 7 GLU C C 178.102 0 . 72 297 7 GLU CA C 58.897 0.074 1 73 297 7 GLU CB C 29.814 0.098 1 74 297 7 GLU CG C 35.509 0.043 1 75 297 7 GLU N N 123.935 0.034 1 76 298 8 VAL H H 8.095 0.006 1 77 298 8 VAL HA H 3.399 0.01 1 78 298 8 VAL HB H 2.2 0.004 1 79 298 8 VAL HG1 H 1.128 0.009 . 80 298 8 VAL HG2 H 0.998 0.004 2 81 298 8 VAL C C 177.131 0 . 82 298 8 VAL CA C 67.619 0.078 1 83 298 8 VAL CB C 32.041 0.019 1 84 298 8 VAL CG1 C 24.947 0.101 . 85 298 8 VAL CG2 C 22.628 0.022 2 86 298 8 VAL N N 118.916 0.08 1 87 299 9 LYS H H 7.771 0.01 1 88 299 9 LYS HA H 3.804 0.007 1 89 299 9 LYS HB2 H 1.828 0.007 2 90 299 9 LYS HB3 H 1.828 0.007 2 91 299 9 LYS HG2 H 1.561 0.003 2 92 299 9 LYS HG3 H 1.378 0.008 2 93 299 9 LYS HD2 H 1.659 0.004 2 94 299 9 LYS HD3 H 1.659 0.004 2 95 299 9 LYS HE2 H 2.945 0 2 96 299 9 LYS HE3 H 2.945 0 2 97 299 9 LYS C C 179.259 0 . 98 299 9 LYS CA C 59.806 0.065 1 99 299 9 LYS CB C 32.29 0.059 1 100 299 9 LYS CG C 25.457 0.091 1 101 299 9 LYS CD C 29.277 0.083 1 102 299 9 LYS CE C 39.467 0 1 103 299 9 LYS N N 117.791 0.091 1 104 300 10 ARG H H 7.834 0.007 1 105 300 10 ARG HA H 3.934 0.004 1 106 300 10 ARG HB2 H 1.969 0.01 2 107 300 10 ARG HB3 H 1.818 0.007 2 108 300 10 ARG HG2 H 1.468 0.001 2 109 300 10 ARG HG3 H 1.468 0.001 2 110 300 10 ARG HD2 H 3.031 0.01 2 111 300 10 ARG HD3 H 3.031 0.01 2 112 300 10 ARG C C 179.68 0 . 113 300 10 ARG CA C 59.444 0.065 1 114 300 10 ARG CB C 30.19 0.08 1 115 300 10 ARG CG C 27.265 0.093 1 116 300 10 ARG CD C 42.867 0.234 1 117 300 10 ARG N N 119.032 0.049 1 118 301 11 LEU H H 8.147 0.005 1 119 301 11 LEU HA H 3.89 0.006 1 120 301 11 LEU HB2 H 1.802 0.009 2 121 301 11 LEU HB3 H 1.114 0.005 2 122 301 11 LEU HG H 1.704 0.017 1 123 301 11 LEU HD1 H 0.691 0 . 124 301 11 LEU HD2 H 0.733 0.015 2 125 301 11 LEU C C 178.937 0 . 126 301 11 LEU CA C 58.067 0.072 1 127 301 11 LEU CB C 42.051 0.067 1 128 301 11 LEU CG C 22.416 0.01 1 129 301 11 LEU CD2 C 26.355 0.158 2 130 301 11 LEU N N 120.881 0.058 1 131 302 12 LEU H H 8.331 0.006 1 132 302 12 LEU HA H 3.874 0.008 1 133 302 12 LEU HB2 H 1.838 0.007 2 134 302 12 LEU HB3 H 1.407 0.007 2 135 302 12 LEU HG H 1.903 0.002 1 136 302 12 LEU HD1 H 0.869 0.003 2 137 302 12 LEU HD2 H 0.679 0.01 2 138 302 12 LEU C C 177.36 0 . 139 302 12 LEU CA C 57.498 0.075 1 140 302 12 LEU CB C 41.506 0.117 1 141 302 12 LEU CG C 27.293 0.121 1 142 302 12 LEU CD1 C 25.869 0.059 2 143 302 12 LEU CD2 C 23.085 0.192 2 144 302 12 LEU N N 116.294 0.042 1 145 303 13 ALA H H 7.109 0.011 1 146 303 13 ALA HA H 4.48 0.005 1 147 303 13 ALA HB H 1.396 0.005 1 148 303 13 ALA C C 177.554 0 . 149 303 13 ALA CA C 51.29 0.092 1 150 303 13 ALA CB C 19.81 0.07 1 151 303 13 ALA N N 117.998 0.047 1 152 304 14 SER H H 7.265 0.01 1 153 304 14 SER HA H 4.175 0.006 1 154 304 14 SER HB2 H 4.088 0.008 2 155 304 14 SER HB3 H 3.91 0.005 2 156 304 14 SER C C 175.762 0 . 157 304 14 SER CA C 59.344 0.073 1 158 304 14 SER CB C 63.704 0.113 1 159 304 14 SER N N 114.833 0.04 1 160 305 15 ARG H H 8.872 0.004 1 161 305 15 ARG HA H 4.555 0.01 1 162 305 15 ARG HB2 H 2.115 0.012 2 163 305 15 ARG HB3 H 1.635 0.007 2 164 305 15 ARG HG2 H 1.685 0 2 165 305 15 ARG HG3 H 1.614 0 2 166 305 15 ARG HD2 H 3.218 0.009 2 167 305 15 ARG HD3 H 3.218 0.009 2 168 305 15 ARG C C 175.442 0 . 169 305 15 ARG CA C 54.847 0.05 1 170 305 15 ARG CB C 30.415 0.058 1 171 305 15 ARG CG C 26.994 0.009 1 172 305 15 ARG CD C 43.225 0.037 1 173 305 15 ARG N N 125.37 0.056 1 174 306 16 ASN H H 8.367 0.009 1 175 306 16 ASN HA H 4.774 0.007 1 176 306 16 ASN HB2 H 3.032 0.013 2 177 306 16 ASN HB3 H 2.736 0.022 2 178 306 16 ASN HD21 H 7.85 0 2 179 306 16 ASN HD22 H 6.995 0 2 180 306 16 ASN C C 175.146 0 . 181 306 16 ASN CA C 52.434 0.128 1 182 306 16 ASN CB C 38.294 0.107 1 183 306 16 ASN N N 120.536 0.06 1 184 306 16 ASN ND2 N 114.278 0.002 1 185 307 17 SER H H 8.656 0.005 1 186 307 17 SER HA H 4.09 0.008 1 187 307 17 SER HB2 H 3.961 0.003 2 188 307 17 SER HB3 H 3.961 0.003 2 189 307 17 SER C C 175.97 0 . 190 307 17 SER CA C 61.484 0.056 1 191 307 17 SER CB C 62.85 0.087 1 192 307 17 SER N N 121.694 0.059 1 193 308 18 LYS H H 8.06 0.011 1 194 308 18 LYS HA H 4.115 0.011 1 195 308 18 LYS HB2 H 1.902 0 2 196 308 18 LYS HB3 H 1.867 0.007 2 197 308 18 LYS HG2 H 1.538 0.011 2 198 308 18 LYS HG3 H 1.49 0.006 2 199 308 18 LYS HD2 H 1.703 0.007 2 200 308 18 LYS HD3 H 1.703 0.007 2 201 308 18 LYS HE2 H 2.992 0.005 2 202 308 18 LYS HE3 H 2.992 0.005 2 203 308 18 LYS C C 178.999 0 . 204 308 18 LYS CA C 58.606 0.068 1 205 308 18 LYS CB C 31.614 0.075 1 206 308 18 LYS CG C 24.852 0.041 1 207 308 18 LYS CD C 28.461 0.087 1 208 308 18 LYS CE C 41.966 0.015 1 209 308 18 LYS N N 120.961 0.046 1 210 309 19 GLU H H 7.52 0.011 1 211 309 19 GLU HA H 4.198 0.008 1 212 309 19 GLU HB2 H 2.043 0.007 2 213 309 19 GLU HB3 H 2.043 0.007 2 214 309 19 GLU HG2 H 2.182 0 2 215 309 19 GLU HG3 H 2.123 0.001 2 216 309 19 GLU C C 178.136 0 . 217 309 19 GLU CA C 57.939 0.096 1 218 309 19 GLU CB C 30.115 0.054 1 219 309 19 GLU CG C 36.321 0.022 1 220 309 19 GLU N N 118.377 0.05 1 221 310 20 LEU H H 7.741 0.006 1 222 310 20 LEU HA H 4.168 0.004 1 223 310 20 LEU HB2 H 1.793 0.006 2 224 310 20 LEU HB3 H 1.606 0.008 2 225 310 20 LEU HG H 1.802 0.002 1 226 310 20 LEU HD1 H 0.819 0.004 2 227 310 20 LEU HD2 H 0.894 0.008 2 228 310 20 LEU C C 179.112 0 . 229 310 20 LEU CA C 56.583 0.017 1 230 310 20 LEU CB C 41.611 0.107 1 231 310 20 LEU CG C 26.844 0.069 1 232 310 20 LEU CD1 C 24.964 0.053 2 233 310 20 LEU CD2 C 22.751 0.041 2 234 310 20 LEU N N 118.101 0.038 1 235 311 21 GLU H H 7.747 0.008 1 236 311 21 GLU HA H 4.342 0.007 1 237 311 21 GLU HB2 H 2.223 0.001 2 238 311 21 GLU HB3 H 2.182 0 2 239 311 21 GLU HG2 H 2.567 0.014 2 240 311 21 GLU HG3 H 2.477 0.008 2 241 311 21 GLU C C 176.928 0 . 242 311 21 GLU CA C 58.216 0.094 1 243 311 21 GLU CB C 29.608 0.091 1 244 311 21 GLU CG C 36.353 0.058 1 245 311 21 GLU N N 116.13 0.039 1 246 312 22 THR H H 7.446 0.009 1 247 312 22 THR HA H 4.182 0.004 1 248 312 22 THR HB H 4.617 0.008 1 249 312 22 THR HG2 H 1.182 0.006 1 250 312 22 THR C C 172.032 0 . 251 312 22 THR CA C 61.539 0.034 1 252 312 22 THR CB C 69.426 0.04 1 253 312 22 THR CG2 C 22.342 0.001 . 254 312 22 THR N N 106.131 0.049 1 255 313 23 LEU H H 7.538 0.008 1 256 313 23 LEU HA H 5.869 0.008 1 257 313 23 LEU HB2 H 1.714 0.005 2 258 313 23 LEU HB3 H 1.575 0.008 2 259 313 23 LEU HG H 2.168 0.006 1 260 313 23 LEU HD1 H 0.831 0.005 2 261 313 23 LEU HD2 H 0.843 0.002 2 262 313 23 LEU C C 175.604 0 . 263 313 23 LEU CA C 52.838 0.06 1 264 313 23 LEU CB C 46.851 0.039 1 265 313 23 LEU CG C 25.506 0.074 1 266 313 23 LEU CD1 C 28.169 0.136 2 267 313 23 LEU CD2 C 24.877 0.119 2 268 313 23 LEU N N 120.178 0.044 1 269 314 24 ILE H H 8.904 0.009 1 270 314 24 ILE HA H 4.717 0.005 1 271 314 24 ILE HB H 2.01 0.008 1 272 314 24 ILE HG12 H 1.357 0.006 2 273 314 24 ILE HG13 H 1.357 0.006 2 274 314 24 ILE HG2 H 1.021 0.008 1 275 314 24 ILE HD1 H 0.881 0.003 . 276 314 24 ILE C C 173.53 0 . 277 314 24 ILE CA C 59.368 0.032 1 278 314 24 ILE CB C 42.319 0.051 1 279 314 24 ILE CG1 C 26.496 0.015 1 280 314 24 ILE CG2 C 18.846 0.01 1 281 314 24 ILE CD1 C 14.602 0.025 . 282 314 24 ILE N N 113.99 0.063 1 283 315 25 CYS H H 9.021 0.008 1 284 315 25 CYS HA H 5.914 0.009 1 285 315 25 CYS HB2 H 3.122 0.002 2 286 315 25 CYS HB3 H 2.711 0.006 2 287 315 25 CYS C C 174.153 0 . 288 315 25 CYS CA C 57.187 0.057 1 289 315 25 CYS CB C 31.754 0.094 1 290 315 25 CYS N N 117.755 0.051 1 291 316 26 LEU H H 8.778 0.011 1 292 316 26 LEU HA H 5.363 0.007 1 293 316 26 LEU HB2 H 1.444 0.006 2 294 316 26 LEU HB3 H 1.253 0.007 2 295 316 26 LEU HG H 1.507 0.003 1 296 316 26 LEU HD1 H 0.769 0.003 2 297 316 26 LEU HD2 H 0.67 0.009 2 298 316 26 LEU C C 176.015 0 . 299 316 26 LEU CA C 53.072 0.035 1 300 316 26 LEU CB C 45.891 0.061 1 301 316 26 LEU CG C 26.836 0.083 1 302 316 26 LEU CD1 C 23.277 0.057 2 303 316 26 LEU CD2 C 25.136 0.141 2 304 316 26 LEU N N 119.952 0.059 1 305 317 27 PHE H H 7.827 0.011 1 306 317 27 PHE HA H 4.158 0 1 307 317 27 PHE HB2 H 2.17 0 2 308 317 27 PHE HB3 H 2.17 0 2 309 317 27 PHE CA C 55.594 0.036 1 310 317 27 PHE CB C 37.765 0.076 1 311 317 27 PHE N N 116.116 0.038 1 312 318 28 PRO HA H 5.322 0.005 1 313 318 28 PRO HB2 H 2.69 0.01 2 314 318 28 PRO HB3 H 2.313 0.008 2 315 318 28 PRO HG2 H 2.305 0 2 316 318 28 PRO HG3 H 2.22 0 2 317 318 28 PRO HD2 H 3.791 0.008 2 318 318 28 PRO HD3 H 3.124 0.007 2 319 318 28 PRO C C 175.163 0 . 320 318 28 PRO CA C 61.657 0.031 1 321 318 28 PRO CB C 34.356 0.035 1 322 318 28 PRO CG C 24.158 0.047 1 323 318 28 PRO CD C 49.649 0.053 1 324 319 29 LEU H H 8.365 0.009 1 325 319 29 LEU HA H 4.674 0.008 1 326 319 29 LEU HB2 H 1.402 0.007 2 327 319 29 LEU HB3 H 1.372 0 2 328 319 29 LEU HG H 1.521 0 1 329 319 29 LEU HD1 H 0.619 0.003 2 330 319 29 LEU HD2 H 0.671 0 2 331 319 29 LEU C C 176.806 0 . 332 319 29 LEU CA C 52.817 0.102 1 333 319 29 LEU CB C 45.029 0.039 1 334 319 29 LEU CG C 27.457 0 1 335 319 29 LEU CD1 C 27.157 0.053 2 336 319 29 LEU CD2 C 23.438 0.041 2 337 319 29 LEU N N 120.206 0.085 1 338 320 30 SER H H 8.652 0.005 1 339 320 30 SER HA H 4.475 0.007 1 340 320 30 SER HB2 H 4.118 0.004 2 341 320 30 SER HB3 H 3.824 0.007 2 342 320 30 SER C C 174.677 0 . 343 320 30 SER CA C 57.768 0.049 1 344 320 30 SER CB C 64.118 0.099 1 345 320 30 SER N N 117.22 0.039 1 346 321 31 ASP H H 8.587 0.005 1 347 321 31 ASP HA H 4.471 0.008 1 348 321 31 ASP HB2 H 2.861 0.013 2 349 321 31 ASP HB3 H 2.739 0.005 2 350 321 31 ASP C C 176.811 0 . 351 321 31 ASP CA C 55.388 0.061 1 352 321 31 ASP CB C 40.06 0.073 1 353 321 31 ASP N N 121.514 0.046 1 354 322 32 LYS H H 8.053 0.007 1 355 322 32 LYS HA H 4.331 0.008 1 356 322 32 LYS HB2 H 1.956 0.011 2 357 322 32 LYS HB3 H 1.616 0.009 2 358 322 32 LYS HG2 H 1.445 0.002 2 359 322 32 LYS HG3 H 1.383 0.005 2 360 322 32 LYS HD2 H 1.424 0.016 2 361 322 32 LYS HD3 H 1.424 0.016 2 362 322 32 LYS HE2 H 2.964 0.01 2 363 322 32 LYS HE3 H 2.964 0.01 2 364 322 32 LYS C C 176.804 0 . 365 322 32 LYS CA C 55.545 0.084 1 366 322 32 LYS CB C 31.942 0.085 1 367 322 32 LYS CG C 24.708 0.007 1 368 322 32 LYS CD C 28.498 0.044 1 369 322 32 LYS CE C 42.123 0 1 370 322 32 LYS N N 117.99 0.043 1 371 323 33 VAL H H 7.333 0.009 1 372 323 33 VAL HA H 3.922 0.006 1 373 323 33 VAL HB H 2.162 0.01 1 374 323 33 VAL HG1 H 1.105 0.001 2 375 323 33 VAL HG2 H 0.993 0.001 2 376 323 33 VAL C C 173.362 0 . 377 323 33 VAL CA C 63.294 0.069 1 378 323 33 VAL CB C 32.41 0.087 1 379 323 33 VAL CG1 C 22.716 0.026 2 380 323 33 VAL CG2 C 22.227 0.007 2 381 323 33 VAL N N 119.57 0.036 1 382 324 34 SER H H 7.099 0.011 1 383 324 34 SER HA H 5.104 0.002 1 384 324 34 SER HB2 H 4.335 0.002 2 385 324 34 SER HB3 H 3.916 0 2 386 324 34 SER CA C 55.114 0.084 1 387 324 34 SER CB C 64.522 0.148 1 388 324 34 SER N N 118.908 0.039 1 389 325 35 PRO HA H 4.038 0.006 1 390 325 35 PRO HB2 H 2.205 0.009 2 391 325 35 PRO HB3 H 2.104 0.007 2 392 325 35 PRO HG2 H 2.191 0 2 393 325 35 PRO HG3 H 2.191 0 2 394 325 35 PRO HD2 H 4.08 0.003 2 395 325 35 PRO HD3 H 3.868 0 2 396 325 35 PRO C C 178.107 0 . 397 325 35 PRO CA C 66.275 0.174 1 398 325 35 PRO CB C 31.873 0.075 1 399 325 35 PRO CG C 28.374 0.309 1 400 325 35 PRO CD C 50.781 0.034 1 401 326 36 SER H H 8.172 0.007 1 402 326 36 SER HA H 4.179 0.005 1 403 326 36 SER HB2 H 3.891 0.001 2 404 326 36 SER HB3 H 3.891 0.001 2 405 326 36 SER C C 176.897 0 . 406 326 36 SER CA C 61.731 0.08 1 407 326 36 SER CB C 62.211 0.059 1 408 326 36 SER N N 111.48 0.057 1 409 327 37 LEU H H 7.751 0.008 1 410 327 37 LEU HA H 4.311 0.006 1 411 327 37 LEU HB2 H 1.956 0.007 2 412 327 37 LEU HB3 H 1.777 0.004 2 413 327 37 LEU HG H 1.8 0.005 1 414 327 37 LEU HD1 H 0.973 0.008 2 415 327 37 LEU HD2 H 1.035 0.004 2 416 327 37 LEU C C 180.292 0 . 417 327 37 LEU CA C 57.921 0.087 1 418 327 37 LEU CB C 42.694 0.057 1 419 327 37 LEU CG C 27.372 0.041 1 420 327 37 LEU CD1 C 24.982 0 2 421 327 37 LEU CD2 C 24.546 0.032 2 422 327 37 LEU N N 123.898 0.045 1 423 328 38 ILE H H 7.636 0.008 1 424 328 38 ILE HA H 3.627 0.008 1 425 328 38 ILE HB H 1.947 0.011 1 426 328 38 ILE HG12 H 1.695 0.005 2 427 328 38 ILE HG13 H 0.558 0.004 2 428 328 38 ILE HG2 H 0.69 0.004 1 429 328 38 ILE HD1 H 0.431 0.004 . 430 328 38 ILE C C 176.884 0 . 431 328 38 ILE CA C 65.153 0.153 1 432 328 38 ILE CB C 37.446 0.038 1 433 328 38 ILE CG1 C 28.719 0.116 1 434 328 38 ILE CG2 C 17.306 0.016 1 435 328 38 ILE CD1 C 13.554 0.02 . 436 328 38 ILE N N 119.411 0.047 1 437 329 39 CYS H H 8.64 0.005 1 438 329 39 CYS HA H 3.743 0.007 1 439 329 39 CYS HB2 H 3.144 0.004 2 440 329 39 CYS HB3 H 2.93 0.004 2 441 329 39 CYS C C 176.205 0 . 442 329 39 CYS CA C 63.564 0.064 1 443 329 39 CYS CB C 26.285 0.116 1 444 329 39 CYS N N 120.43 0.061 1 445 330 40 GLN H H 8.213 0.008 1 446 330 40 GLN HA H 4.099 0.006 1 447 330 40 GLN HB2 H 2.22 0.007 2 448 330 40 GLN HB3 H 2.22 0.007 2 449 330 40 GLN HG2 H 2.507 0.003 2 450 330 40 GLN HG3 H 2.385 0.003 2 451 330 40 GLN HE21 H 6.984 0 2 452 330 40 GLN C C 177.445 0 . 453 330 40 GLN CA C 59.496 0.064 1 454 330 40 GLN CB C 28.469 0.066 1 455 330 40 GLN CG C 33.421 0.029 1 456 330 40 GLN N N 118.263 0.073 1 457 330 40 GLN NE2 N 111.642 0 1 458 331 41 PHE H H 7.806 0.011 1 459 331 41 PHE HA H 4.661 0.008 1 460 331 41 PHE HB2 H 3.595 0.01 2 461 331 41 PHE HB3 H 3.241 0.019 2 462 331 41 PHE HD1 H 7.138 0.006 3 463 331 41 PHE HD2 H 7.138 0.006 3 464 331 41 PHE HE1 H 6.501 0.006 3 465 331 41 PHE HE2 H 6.501 0.006 3 466 331 41 PHE C C 177.475 0 . 467 331 41 PHE CA C 60.181 0.067 1 468 331 41 PHE CB C 39.561 0.073 1 469 331 41 PHE CD1 C 129.412 0 . 470 331 41 PHE CD2 C 129.412 0 . 471 331 41 PHE CE1 C 130.424 0 . 472 331 41 PHE CE2 C 130.424 0 . 473 331 41 PHE N N 121.411 0.041 1 474 332 42 LEU H H 8.436 0.007 1 475 332 42 LEU HA H 3.508 0.008 1 476 332 42 LEU HB2 H 2.041 0.01 2 477 332 42 LEU HB3 H 1.273 0.009 2 478 332 42 LEU HG H 2.112 0.023 1 479 332 42 LEU HD1 H 0.861 0.009 2 480 332 42 LEU HD2 H 0.785 0.005 2 481 332 42 LEU C C 178.495 0 . 482 332 42 LEU CA C 57.545 0.061 1 483 332 42 LEU CB C 40.88 0.053 1 484 332 42 LEU CG C 26.592 0.027 1 485 332 42 LEU CD1 C 27.163 0.101 2 486 332 42 LEU CD2 C 22.952 0.064 2 487 332 42 LEU N N 119.016 0.044 1 488 333 43 GLN H H 8.236 0.01 1 489 333 43 GLN HA H 4.59 0.006 1 490 333 43 GLN HB2 H 2.212 0.001 2 491 333 43 GLN HB3 H 2.147 0.004 2 492 333 43 GLN HG2 H 2.496 0.003 2 493 333 43 GLN HG3 H 2.328 0.011 2 494 333 43 GLN HE21 H 7.703 0 2 495 333 43 GLN HE22 H 6.715 0 2 496 333 43 GLN C C 178.499 0 . 497 333 43 GLN CA C 58.875 0.053 1 498 333 43 GLN CB C 30.846 0.038 1 499 333 43 GLN CG C 34.928 0.044 1 500 333 43 GLN N N 116.21 0.046 1 501 333 43 GLN NE2 N 111.346 0.001 1 502 334 44 GLU H H 8.926 0.006 1 503 334 44 GLU HA H 4.116 0.006 1 504 334 44 GLU HB2 H 2.099 0.005 2 505 334 44 GLU HB3 H 2.099 0.005 2 506 334 44 GLU HG2 H 2.519 0.005 2 507 334 44 GLU HG3 H 2.309 0.007 2 508 334 44 GLU C C 177.407 0 . 509 334 44 GLU CA C 58.756 0.087 1 510 334 44 GLU CB C 30.518 0.082 1 511 334 44 GLU CG C 36.75 0.047 1 512 334 44 GLU N N 117.05 0.044 1 513 335 45 GLU H H 8.054 0.009 1 514 335 45 GLU HA H 4.354 0.003 1 515 335 45 GLU HB2 H 1.874 0.011 2 516 335 45 GLU HB3 H 1.874 0.011 2 517 335 45 GLU HG2 H 2.392 0.002 2 518 335 45 GLU HG3 H 2.306 0 2 519 335 45 GLU C C 176.873 0 . 520 335 45 GLU CA C 57.018 0.087 1 521 335 45 GLU CB C 29.537 0.084 1 522 335 45 GLU CG C 36.216 0.036 1 523 335 45 GLU N N 114.95 0.046 1 524 336 46 ILE H H 6.749 0.011 1 525 336 46 ILE HA H 3.895 0.005 1 526 336 46 ILE HB H 2.447 0.009 1 527 336 46 ILE HG12 H 0.752 0 2 528 336 46 ILE HG13 H 0.699 0 2 529 336 46 ILE HG2 H 0.923 0.002 1 530 336 46 ILE HD1 H 0.435 0.002 . 531 336 46 ILE C C 175.873 0 . 532 336 46 ILE CA C 58.097 0.071 1 533 336 46 ILE CB C 35.077 0.084 1 534 336 46 ILE CG1 C 27.553 0.044 1 535 336 46 ILE CG2 C 18.766 0.016 1 536 336 46 ILE CD1 C 8.065 0.014 . 537 336 46 ILE N N 115.649 0.035 1 538 337 47 HIS H H 6.652 0.013 1 539 337 47 HIS HA H 4.52 0.021 1 540 337 47 HIS HB2 H 3.556 0.01 2 541 337 47 HIS HB3 H 3.288 0.01 2 542 337 47 HIS C C 174.787 0 . 543 337 47 HIS CA C 56.387 0.158 1 544 337 47 HIS CB C 24.947 0.137 1 545 337 47 HIS N N 111.685 0.048 1 546 338 48 ILE H H 7.963 0.005 1 547 338 48 ILE HA H 4.433 0.009 1 548 338 48 ILE HB H 1.931 0.01 1 549 338 48 ILE HG12 H 1.409 0.007 2 550 338 48 ILE HG13 H 1.151 0.006 2 551 338 48 ILE HG2 H 1.118 0.01 1 552 338 48 ILE HD1 H 1.077 0.01 . 553 338 48 ILE C C 175.031 0 . 554 338 48 ILE CA C 60.737 0.062 1 555 338 48 ILE CB C 38.861 0.06 1 556 338 48 ILE CG1 C 27.307 0.084 1 557 338 48 ILE CG2 C 18.313 0.01 1 558 338 48 ILE CD1 C 15.211 0.042 . 559 338 48 ILE N N 118.069 0.063 1 560 339 49 ASN H H 9.222 0.005 1 561 339 49 ASN HA H 4.691 0.008 1 562 339 49 ASN HB2 H 2.738 0.003 2 563 339 49 ASN HB3 H 2.738 0.003 2 564 339 49 ASN C C 176.381 0 . 565 339 49 ASN CA C 53.296 0.063 1 566 339 49 ASN CB C 40.57 0.075 1 567 339 49 ASN N N 123.991 0.05 1 568 340 50 GLU H H 8.971 0.006 1 569 340 50 GLU HA H 3.792 0.005 1 570 340 50 GLU HB2 H 2.057 0.012 2 571 340 50 GLU HB3 H 1.941 0.005 2 572 340 50 GLU HG2 H 2.196 0.003 2 573 340 50 GLU HG3 H 2.196 0.003 2 574 340 50 GLU C C 177.988 0 . 575 340 50 GLU CA C 59.807 0.063 1 576 340 50 GLU CB C 29.143 0.1 1 577 340 50 GLU CG C 35.636 0.056 1 578 340 50 GLU N N 125.549 0.035 1 579 341 51 LYS H H 8.424 0.006 1 580 341 51 LYS HA H 4.117 0.007 1 581 341 51 LYS HB2 H 1.738 0.005 2 582 341 51 LYS HB3 H 1.738 0.005 2 583 341 51 LYS HG2 H 1.402 0 2 584 341 51 LYS HG3 H 1.354 0.004 2 585 341 51 LYS HD2 H 1.647 0.007 2 586 341 51 LYS HD3 H 1.647 0.007 2 587 341 51 LYS HE2 H 2.939 0.011 2 588 341 51 LYS HE3 H 2.939 0.011 2 589 341 51 LYS C C 177.283 0 . 590 341 51 LYS CA C 57.718 0.063 1 591 341 51 LYS CB C 31.65 0.061 1 592 341 51 LYS CG C 24.973 0.017 1 593 341 51 LYS CD C 28.781 0.045 1 594 341 51 LYS CE C 41.996 0 1 595 341 51 LYS N N 116.019 0.042 1 596 342 52 ASP H H 7.908 0.009 1 597 342 52 ASP HA H 4.444 0.006 1 598 342 52 ASP HB2 H 2.621 0.007 2 599 342 52 ASP HB3 H 2.168 0.005 2 600 342 52 ASP C C 175.454 0 . 601 342 52 ASP CA C 56.002 0.093 1 602 342 52 ASP CB C 41.937 0.087 1 603 342 52 ASP N N 117.576 0.046 1 604 343 53 ILE H H 7.48 0.008 1 605 343 53 ILE HA H 3.875 0.008 1 606 343 53 ILE HB H 1.855 0.009 1 607 343 53 ILE HG12 H 0.65 0.002 2 608 343 53 ILE HG13 H 0.65 0.002 2 609 343 53 ILE HG2 H 0.524 0.008 1 610 343 53 ILE HD1 H 0.822 0.007 . 611 343 53 ILE C C 174.966 0 . 612 343 53 ILE CA C 61.101 0.171 1 613 343 53 ILE CB C 39.931 0.051 1 614 343 53 ILE CG1 C 27.644 0.04 1 615 343 53 ILE CG2 C 17.644 0.036 1 616 343 53 ILE CD1 C 14.989 0.098 . 617 343 53 ILE N N 120.515 0.044 1 618 344 54 ARG H H 9.063 0.01 1 619 344 54 ARG HA H 4.291 0.007 1 620 344 54 ARG HB2 H 1.614 0.007 2 621 344 54 ARG HB3 H 1.342 0.01 2 622 344 54 ARG HG2 H 1.417 0.005 2 623 344 54 ARG HG3 H 1.417 0.005 2 624 344 54 ARG HD2 H 3.118 0.005 2 625 344 54 ARG HD3 H 3.118 0.005 2 626 344 54 ARG C C 176.642 0 . 627 344 54 ARG CA C 57.55 0.106 1 628 344 54 ARG CB C 30.848 0.074 1 629 344 54 ARG CG C 27.354 0.056 1 630 344 54 ARG CD C 43.012 0.039 1 631 344 54 ARG N N 125.353 0.044 1 632 345 55 LYS H H 7.569 0.008 1 633 345 55 LYS HA H 4.417 0.007 1 634 345 55 LYS HB2 H 1.652 0.001 2 635 345 55 LYS HB3 H 1.605 0.007 2 636 345 55 LYS HG2 H 1.302 0.001 2 637 345 55 LYS HG3 H 1.26 0.001 2 638 345 55 LYS HD2 H 1.657 0.001 2 639 345 55 LYS HD3 H 1.657 0.001 2 640 345 55 LYS HE2 H 2.868 0 2 641 345 55 LYS HE3 H 2.828 0 2 642 345 55 LYS C C 173.004 0 . 643 345 55 LYS CA C 55.873 0.061 1 644 345 55 LYS CB C 36.582 0.043 1 645 345 55 LYS CG C 24.817 0.009 1 646 345 55 LYS CD C 28.739 0.099 1 647 345 55 LYS CE C 41.757 0 1 648 345 55 LYS N N 116.212 0.044 1 649 346 56 ILE H H 8.229 0.006 1 650 346 56 ILE HA H 4.731 0.006 1 651 346 56 ILE HB H 1.597 0.007 1 652 346 56 ILE HG12 H 1.485 0.012 2 653 346 56 ILE HG13 H 1.485 0.012 2 654 346 56 ILE HG2 H 0.7 0.006 1 655 346 56 ILE HD1 H 0.807 0.007 . 656 346 56 ILE C C 174.163 0 . 657 346 56 ILE CA C 60.843 0.056 1 658 346 56 ILE CB C 40.816 0.089 1 659 346 56 ILE CG1 C 27.868 0.021 1 660 346 56 ILE CG2 C 17.145 0.03 1 661 346 56 ILE CD1 C 14.329 0.113 . 662 346 56 ILE N N 122.685 0.044 1 663 347 57 LEU H H 9.279 0.008 1 664 347 57 LEU HA H 4.775 0.007 1 665 347 57 LEU HB2 H 1.492 0.007 2 666 347 57 LEU HB3 H 1.358 0.009 2 667 347 57 LEU HG H 0.719 0.009 1 668 347 57 LEU HD1 H 0.916 0.01 . 669 347 57 LEU HD2 H 0.916 0.01 . 670 347 57 LEU C C 175.764 0 . 671 347 57 LEU CA C 52.746 0.05 1 672 347 57 LEU CB C 45.364 0.072 1 673 347 57 LEU CG C 26.486 0.063 1 674 347 57 LEU CD1 C 24.317 0.014 . 675 347 57 LEU CD2 C 24.317 0.014 . 676 347 57 LEU N N 126.095 0.042 1 677 348 58 LEU H H 8.925 0.006 1 678 348 58 LEU HA H 4.338 0.017 1 679 348 58 LEU HB2 H 1.807 0.012 2 680 348 58 LEU HB3 H 1.571 0.011 2 681 348 58 LEU HD1 H 0.988 0.003 2 682 348 58 LEU HD2 H 0.692 0.006 2 683 348 58 LEU C C 176.476 0 . 684 348 58 LEU CA C 55.221 0.09 1 685 348 58 LEU CB C 41.496 0.091 1 686 348 58 LEU CG C 27.215 0 1 687 348 58 LEU CD1 C 25.639 0.094 2 688 348 58 LEU CD2 C 22.337 0.143 2 689 348 58 LEU N N 122.946 0.054 1 690 349 59 VAL H H 8.637 0.01 1 691 349 59 VAL HA H 4.385 0.014 1 692 349 59 VAL HB H 1.974 0.006 1 693 349 59 VAL HG1 H 1.055 0.006 2 694 349 59 VAL HG2 H 0.865 0.006 2 695 349 59 VAL C C 176.335 0 . 696 349 59 VAL CA C 59.595 0.045 1 697 349 59 VAL CB C 31.1 0.077 1 698 349 59 VAL CG1 C 24.063 0.042 2 699 349 59 VAL CG2 C 20.994 0.05 2 700 349 59 VAL N N 123.378 0.051 1 701 350 60 SER H H 8.755 0.006 1 702 350 60 SER HA H 3.907 0.007 1 703 350 60 SER HB2 H 4.292 0.004 2 704 350 60 SER HB3 H 4.292 0.004 2 705 350 60 SER C C 177.518 0 . 706 350 60 SER CA C 62.261 0.129 1 707 350 60 SER CB C 62.301 0 1 708 350 60 SER N N 124.152 0.05 1 709 351 61 ASP H H 9.011 0.007 1 710 351 61 ASP HA H 3.964 0.004 1 711 351 61 ASP HB2 H 1.809 0.005 2 712 351 61 ASP HB3 H 1.809 0.005 2 713 351 61 ASP C C 174.721 0 . 714 351 61 ASP CA C 56.162 0.054 1 715 351 61 ASP CB C 40.102 0.051 1 716 351 61 ASP N N 119.224 0.04 1 717 352 62 PHE H H 6.702 0.008 1 718 352 62 PHE HA H 3.983 0.007 1 719 352 62 PHE HB2 H 3.174 0.008 2 720 352 62 PHE HB3 H 2.143 0.007 2 721 352 62 PHE HD1 H 6.701 0.003 3 722 352 62 PHE HD2 H 6.701 0.003 3 723 352 62 PHE HE1 H 7.125 0.037 3 724 352 62 PHE HE2 H 7.125 0.037 3 725 352 62 PHE C C 173.268 0 . 726 352 62 PHE CA C 56.221 0.096 1 727 352 62 PHE CB C 39.789 0.068 1 728 352 62 PHE CD1 C 129.825 0 . 729 352 62 PHE CD2 C 129.825 0 . 730 352 62 PHE N N 110.179 0.04 1 731 353 63 ASN H H 7.708 0.01 1 732 353 63 ASN HA H 4.665 0.007 1 733 353 63 ASN HB2 H 3.35 0.003 2 734 353 63 ASN HB3 H 3.258 0 2 735 353 63 ASN HD21 H 7.858 0 2 736 353 63 ASN HD22 H 7.096 0 2 737 353 63 ASN C C 174.36 0 . 738 353 63 ASN CA C 54.158 0.07 1 739 353 63 ASN CB C 37.889 0.067 1 740 353 63 ASN N N 114.98 0.044 1 741 353 63 ASN ND2 N 111.4 0 1 742 354 64 GLY H H 7.722 0.01 1 743 354 64 GLY HA2 H 5.348 0.008 2 744 354 64 GLY HA3 H 4.061 0.011 2 745 354 64 GLY C C 173.093 0 . 746 354 64 GLY CA C 45.413 0.082 1 747 354 64 GLY N N 102.117 0.049 1 748 355 65 ALA H H 8.785 0.011 1 749 355 65 ALA HA H 5.055 0.005 1 750 355 65 ALA HB H 1.084 0.01 1 751 355 65 ALA C C 174.731 0 . 752 355 65 ALA CA C 51.429 0.024 1 753 355 65 ALA CB C 22.924 0.078 1 754 355 65 ALA N N 120.262 0.055 1 755 356 66 ILE H H 9.39 0.007 1 756 356 66 ILE HA H 4.711 0.01 1 757 356 66 ILE HB H 1.493 0.011 1 758 356 66 ILE HG12 H 1.2 0.011 . 759 356 66 ILE HG13 H 1.2 0.011 . 760 356 66 ILE HG2 H 0.83 0.007 1 761 356 66 ILE HD1 H 0.821 0.01 . 762 356 66 ILE C C 174.154 0 . 763 356 66 ILE CA C 60.57 0.031 1 764 356 66 ILE CB C 41.943 0.061 1 765 356 66 ILE CG1 C 28.755 0 1 766 356 66 ILE CG2 C 18.745 0.087 1 767 356 66 ILE CD1 C 14.11 0.162 . 768 356 66 ILE N N 121.244 0.044 1 769 357 67 ILE H H 9.291 0.008 1 770 357 67 ILE HA H 4.433 0.01 1 771 357 67 ILE HB H 1.573 0.006 1 772 357 67 ILE HG12 H 1.279 0.008 2 773 357 67 ILE HG13 H 1.017 0.003 2 774 357 67 ILE HG2 H -0.007 0.003 1 775 357 67 ILE HD1 H 0.708 0.002 . 776 357 67 ILE C C 174.004 0 . 777 357 67 ILE CA C 59.826 0.047 1 778 357 67 ILE CB C 38.965 0.087 1 779 357 67 ILE CG1 C 27.763 0.044 1 780 357 67 ILE CG2 C 19.125 0.018 1 781 357 67 ILE CD1 C 14.687 0.08 . 782 357 67 ILE N N 127.255 0.06 1 783 358 68 ILE H H 8.681 0.007 1 784 358 68 ILE HA H 4.293 0.008 1 785 358 68 ILE HB H 1.589 0.005 1 786 358 68 ILE HG12 H 1.413 0.006 2 787 358 68 ILE HG13 H 1.413 0.006 2 788 358 68 ILE HG2 H 0.954 0.007 1 789 358 68 ILE HD1 H 0.717 0.004 . 790 358 68 ILE C C 176.052 0 . 791 358 68 ILE CA C 61.079 0.099 1 792 358 68 ILE CB C 38.373 0.11 1 793 358 68 ILE CG1 C 27.733 0.003 1 794 358 68 ILE CG2 C 17.574 0.041 1 795 358 68 ILE CD1 C 13.21 0.053 . 796 358 68 ILE N N 124.623 0.052 1 797 359 69 PHE H H 9.086 0.008 1 798 359 69 PHE HA H 5.13 0.015 1 799 359 69 PHE HB2 H 3.71 0.006 2 800 359 69 PHE HB3 H 3.064 0.004 2 801 359 69 PHE HD1 H 7.471 0.003 3 802 359 69 PHE HD2 H 7.471 0.003 3 803 359 69 PHE HE1 H 7.177 0.005 3 804 359 69 PHE HE2 H 7.177 0.005 3 805 359 69 PHE C C 175.355 0 . 806 359 69 PHE CA C 58.156 0.066 1 807 359 69 PHE CB C 41.592 0.13 1 808 359 69 PHE CD1 C 131.081 0 . 809 359 69 PHE CD2 C 131.081 0 . 810 359 69 PHE CE1 C 129.983 0 . 811 359 69 PHE CE2 C 129.983 0 . 812 359 69 PHE N N 126.1 0.051 1 813 360 70 ARG H H 8.268 0.008 1 814 360 70 ARG HA H 4.068 0.006 1 815 360 70 ARG HB2 H 1.839 0.004 2 816 360 70 ARG HB3 H 1.839 0.004 2 817 360 70 ARG HG2 H 1.628 0.005 2 818 360 70 ARG HG3 H 1.452 0.012 2 819 360 70 ARG HD2 H 3.197 0.005 2 820 360 70 ARG HD3 H 3.197 0.005 2 821 360 70 ARG C C 175.099 0 . 822 360 70 ARG CA C 58.594 0.03 1 823 360 70 ARG CB C 30.664 0.026 1 824 360 70 ARG CG C 27.546 0.03 1 825 360 70 ARG CD C 43.278 0 1 826 360 70 ARG N N 115.935 0.071 1 827 361 71 ASP H H 7.673 0.01 1 828 361 71 ASP HA H 4.88 0.002 1 829 361 71 ASP HB2 H 2.89 0 2 830 361 71 ASP HB3 H 2.859 0 2 831 361 71 ASP C C 176.087 0 . 832 361 71 ASP CA C 53.329 0.062 1 833 361 71 ASP CB C 44.131 0.064 1 834 361 71 ASP N N 113.892 0.044 1 835 362 72 SER H H 9.103 0.006 1 836 362 72 SER HA H 4.31 0.008 1 837 362 72 SER HB2 H 3.955 0.01 2 838 362 72 SER HB3 H 3.767 0.003 2 839 362 72 SER C C 176.6 0 . 840 362 72 SER CA C 60.739 0.078 1 841 362 72 SER CB C 62.872 0.145 1 842 362 72 SER N N 118.59 0.053 1 843 363 73 LYS H H 8.332 0.01 1 844 363 73 LYS HA H 4.134 0.007 1 845 363 73 LYS HB2 H 1.99 0.01 2 846 363 73 LYS HB3 H 1.809 0.015 2 847 363 73 LYS HG2 H 1.533 0.01 2 848 363 73 LYS HG3 H 1.415 0.011 2 849 363 73 LYS HE2 H 2.977 0.018 2 850 363 73 LYS HE3 H 2.977 0.018 2 851 363 73 LYS C C 179.386 0 . 852 363 73 LYS CA C 59.283 0.062 1 853 363 73 LYS CB C 31.491 0.09 1 854 363 73 LYS CG C 25.319 0.053 1 855 363 73 LYS CD C 28.981 0 1 856 363 73 LYS CE C 41.894 0 1 857 363 73 LYS N N 125.872 0.041 1 858 364 74 PHE H H 8.482 0.005 1 859 364 74 PHE HA H 3.968 0.01 1 860 364 74 PHE HB2 H 3.172 0.014 2 861 364 74 PHE HB3 H 2.982 0.005 2 862 364 74 PHE HD1 H 6.88 0.006 3 863 364 74 PHE HD2 H 6.88 0.006 3 864 364 74 PHE HE1 H 7.22 0.022 3 865 364 74 PHE HE2 H 7.22 0.022 3 866 364 74 PHE C C 177.819 0 . 867 364 74 PHE CA C 61.588 0.257 1 868 364 74 PHE CB C 39.963 0.07 1 869 364 74 PHE CD1 C 129.876 0 . 870 364 74 PHE CD2 C 129.876 0 . 871 364 74 PHE CE1 C 128.967 0 . 872 364 74 PHE CE2 C 128.967 0 . 873 364 74 PHE N N 123.145 0.055 1 874 365 75 ALA H H 7.835 0.009 1 875 365 75 ALA HA H 3.396 0.009 1 876 365 75 ALA HB H 1.518 0.01 1 877 365 75 ALA C C 178.1 0 . 878 365 75 ALA CA C 55.584 0.07 1 879 365 75 ALA CB C 18.265 0.122 1 880 365 75 ALA N N 119.451 0.063 1 881 366 76 ALA H H 7.68 0.009 1 882 366 76 ALA HA H 4.033 0.005 1 883 366 76 ALA HB H 1.481 0.003 1 884 366 76 ALA C C 180.569 0 . 885 366 76 ALA CA C 54.996 0.076 1 886 366 76 ALA CB C 18.04 0.116 1 887 366 76 ALA N N 117.626 0.047 1 888 367 77 LYS H H 7.302 0.009 1 889 367 77 LYS HA H 3.998 0.006 1 890 367 77 LYS HB2 H 1.71 0.008 2 891 367 77 LYS HB3 H 1.637 0.007 2 892 367 77 LYS HG2 H 1.37 0.007 2 893 367 77 LYS HG3 H 1.185 0.002 2 894 367 77 LYS HD2 H 1.519 0.001 2 895 367 77 LYS HD3 H 1.441 0.011 2 896 367 77 LYS HE2 H 2.703 0.007 2 897 367 77 LYS HE3 H 2.703 0.007 2 898 367 77 LYS C C 178.964 0 . 899 367 77 LYS CA C 58.803 0.084 1 900 367 77 LYS CB C 32.106 0.054 1 901 367 77 LYS CG C 24.723 0.047 1 902 367 77 LYS CD C 29.301 0.061 1 903 367 77 LYS CE C 41.642 0.083 1 904 367 77 LYS N N 118.273 0.052 1 905 368 78 MET H H 7.785 0.009 1 906 368 78 MET HA H 4.273 0.006 1 907 368 78 MET HB2 H 1.763 0.011 2 908 368 78 MET HB3 H 1.395 0.015 2 909 368 78 MET HG2 H 1.662 0 2 910 368 78 MET HG3 H 1.662 0 2 911 368 78 MET C C 178.167 0 . 912 368 78 MET CA C 55.734 0.054 1 913 368 78 MET CB C 32.382 0.093 1 914 368 78 MET N N 117.578 0.052 1 915 369 79 LEU H H 8.197 0.007 1 916 369 79 LEU HA H 3.786 0.007 1 917 369 79 LEU HB2 H 1.847 0.001 2 918 369 79 LEU HB3 H 1.799 0.006 2 919 369 79 LEU HG H 1.675 0.029 1 920 369 79 LEU HD1 H 0.932 0.005 . 921 369 79 LEU HD2 H 0.932 0.005 . 922 369 79 LEU C C 179.06 0 . 923 369 79 LEU CA C 59.377 0.09 1 924 369 79 LEU CB C 42.354 0.078 1 925 369 79 LEU CG C 26.899 0.227 1 926 369 79 LEU CD1 C 24.788 0.076 . 927 369 79 LEU CD2 C 24.788 0.076 . 928 369 79 LEU N N 120.984 0.049 1 929 370 80 MET H H 7.018 0.01 1 930 370 80 MET HA H 4.277 0.009 1 931 370 80 MET HB2 H 2.181 0.009 2 932 370 80 MET HB3 H 2.181 0.009 2 933 370 80 MET HG2 H 2.707 0.007 2 934 370 80 MET HG3 H 2.585 0.005 2 935 370 80 MET C C 178.184 0 . 936 370 80 MET CA C 57.627 0.072 1 937 370 80 MET CB C 32.543 0.071 1 938 370 80 MET CG C 31.895 0.083 1 939 370 80 MET N N 114.071 0.044 1 940 371 81 ILE H H 7.615 0.01 1 941 371 81 ILE HA H 3.885 0.006 1 942 371 81 ILE HB H 1.781 0.032 1 943 371 81 ILE HG12 H 1.519 0.008 2 944 371 81 ILE HG13 H 1.218 0.005 2 945 371 81 ILE HG2 H 0.845 0.008 1 946 371 81 ILE HD1 H 0.751 0.01 . 947 371 81 ILE C C 177.491 0 . 948 371 81 ILE CA C 63.571 0.117 1 949 371 81 ILE CB C 38.716 0.099 1 950 371 81 ILE CG1 C 28.666 0.027 1 951 371 81 ILE CG2 C 17.61 0.081 1 952 371 81 ILE CD1 C 13.004 0.032 . 953 371 81 ILE N N 118.056 0.036 1 954 372 82 LEU H H 8.16 0.007 1 955 372 82 LEU HA H 4.1 0.007 1 956 372 82 LEU HB2 H 1.76 0.008 2 957 372 82 LEU HB3 H 1.287 0.009 2 958 372 82 LEU HG H 1.699 0.004 1 959 372 82 LEU HD1 H 0.843 0.007 2 960 372 82 LEU HD2 H 1.265 0 2 961 372 82 LEU C C 178.36 0 . 962 372 82 LEU CA C 55.929 0.059 1 963 372 82 LEU CB C 42.309 0.082 1 964 372 82 LEU CG C 27.713 0.097 1 965 372 82 LEU CD1 C 26.356 0.068 2 966 372 82 LEU CD2 C 23.7 0.014 2 967 372 82 LEU N N 116.858 0.164 1 968 373 83 ASN H H 7.058 0.007 1 969 373 83 ASN HA H 4.348 0.009 1 970 373 83 ASN HB2 H 3.071 0.005 2 971 373 83 ASN HB3 H 2.906 0.009 2 972 373 83 ASN HD21 H 7.674 0 2 973 373 83 ASN HD22 H 6.874 0 2 974 373 83 ASN C C 175.671 0 . 975 373 83 ASN CA C 55.793 0.062 1 976 373 83 ASN CB C 38.434 0.108 1 977 373 83 ASN N N 117.015 0.046 1 978 373 83 ASN ND2 N 113.366 0.003 1 979 374 84 GLY H H 9.053 0.007 1 980 374 84 GLY HA2 H 4.224 0.003 2 981 374 84 GLY HA3 H 3.624 0.008 2 982 374 84 GLY C C 174.602 0 . 983 374 84 GLY CA C 45.842 0.065 1 984 374 84 GLY N N 116.878 0.044 1 985 375 85 SER H H 7.666 0.01 1 986 375 85 SER HA H 4.407 0.004 1 987 375 85 SER HB2 H 4.044 0 2 988 375 85 SER HB3 H 3.981 0 2 989 375 85 SER C C 171.58 0 . 990 375 85 SER CA C 59.28 0.064 1 991 375 85 SER CB C 64.303 0.077 1 992 375 85 SER N N 116.615 0.05 1 993 376 86 GLN H H 8.381 0.008 1 994 376 86 GLN HA H 4.893 0.008 1 995 376 86 GLN HB2 H 1.893 0 2 996 376 86 GLN HB3 H 1.833 0.002 2 997 376 86 GLN HG2 H 2.214 0.003 2 998 376 86 GLN HG3 H 2.015 0.003 2 999 376 86 GLN HE21 H 7.077 0 2 1000 376 86 GLN HE22 H 6.719 0 2 1001 376 86 GLN C C 175.033 0 . 1002 376 86 GLN CA C 54.885 0.064 1 1003 376 86 GLN CB C 30.733 0.118 1 1004 376 86 GLN CG C 34.284 0.014 1 1005 376 86 GLN N N 117.824 0.047 1 1006 376 86 GLN NE2 N 112.665 0.001 1 1007 377 87 PHE H H 8.974 0.007 1 1008 377 87 PHE HA H 4.472 0.01 1 1009 377 87 PHE HB2 H 2.433 0.006 2 1010 377 87 PHE HB3 H 2.132 0.006 2 1011 377 87 PHE HD1 H 6.496 0.004 3 1012 377 87 PHE HD2 H 6.496 0.004 3 1013 377 87 PHE HE1 H 7.174 0.006 3 1014 377 87 PHE HE2 H 7.174 0.006 3 1015 377 87 PHE C C 174.76 0 . 1016 377 87 PHE CA C 56.009 0.071 1 1017 377 87 PHE CB C 41.519 0.065 1 1018 377 87 PHE CD1 C 128.529 0 . 1019 377 87 PHE CD2 C 128.529 0 . 1020 377 87 PHE CE1 C 131.959 0 . 1021 377 87 PHE CE2 C 131.959 0 . 1022 377 87 PHE N N 124.095 0.039 1 1023 378 88 GLN H H 9.139 0.006 1 1024 378 88 GLN HA H 3.505 0.007 1 1025 378 88 GLN HB2 H 1.804 0.003 2 1026 378 88 GLN HB3 H 1.562 0.009 2 1027 378 88 GLN HG2 H 1.288 0.002 2 1028 378 88 GLN HG3 H 0.815 0.007 2 1029 378 88 GLN HE21 H 7.162 0 2 1030 378 88 GLN HE22 H 6.458 0 2 1031 378 88 GLN C C 176.162 0 . 1032 378 88 GLN CA C 56.57 0.118 1 1033 378 88 GLN CB C 26.07 0.069 1 1034 378 88 GLN CG C 33.225 0.034 1 1035 378 88 GLN N N 126.108 0.046 1 1036 378 88 GLN NE2 N 111.532 0.001 1 1037 379 89 GLY H H 8.58 0.005 1 1038 379 89 GLY HA2 H 4.009 0.006 2 1039 379 89 GLY HA3 H 3.549 0.004 2 1040 379 89 GLY C C 173.587 0 . 1041 379 89 GLY CA C 45.382 0.1 1 1042 379 89 GLY N N 103.132 0.047 1 1043 380 90 LYS H H 7.457 0.011 1 1044 380 90 LYS HA H 4.697 0.004 1 1045 380 90 LYS HB2 H 1.853 0.004 2 1046 380 90 LYS HB3 H 1.69 0.016 2 1047 380 90 LYS HG2 H 1.375 0 2 1048 380 90 LYS HG3 H 1.375 0 2 1049 380 90 LYS HD2 H 1.362 0.002 2 1050 380 90 LYS HD3 H 1.362 0.002 2 1051 380 90 LYS HE2 H 2.987 0 2 1052 380 90 LYS HE3 H 2.987 0 2 1053 380 90 LYS C C 174.5 0 . 1054 380 90 LYS CA C 54.019 0.074 1 1055 380 90 LYS CB C 35.919 0.062 1 1056 380 90 LYS CG C 24.698 0.001 1 1057 380 90 LYS CD C 28.721 0.063 1 1058 380 90 LYS CE C 42.323 0 1 1059 380 90 LYS N N 119.783 0.053 1 1060 381 91 VAL H H 8.256 0.005 1 1061 381 91 VAL HA H 4.294 0.007 1 1062 381 91 VAL HB H 1.875 0.009 1 1063 381 91 VAL HG1 H 0.953 0.002 2 1064 381 91 VAL HG2 H 0.827 0.007 2 1065 381 91 VAL C C 176.729 0 . 1066 381 91 VAL CA C 63.176 0.09 1 1067 381 91 VAL CB C 32.073 0.057 1 1068 381 91 VAL CG1 C 21.534 0.166 . 1069 381 91 VAL CG2 C 21.534 0.166 . 1070 381 91 VAL N N 121.517 0.035 1 1071 382 92 ILE H H 8.788 0.008 1 1072 382 92 ILE HA H 4.533 0.006 1 1073 382 92 ILE HB H 1.571 0.009 1 1074 382 92 ILE HG12 H 1.35 0.008 2 1075 382 92 ILE HG13 H 0.954 0.003 2 1076 382 92 ILE HG2 H 0.809 0.007 1 1077 382 92 ILE HD1 H 0.57 0.006 . 1078 382 92 ILE C C 173.501 0 . 1079 382 92 ILE CA C 59.249 0.076 1 1080 382 92 ILE CB C 41.995 0.048 1 1081 382 92 ILE CG1 C 26.476 0.084 1 1082 382 92 ILE CG2 C 18.855 0.013 1 1083 382 92 ILE CD1 C 15.187 0.067 . 1084 382 92 ILE N N 124.746 0.04 1 1085 383 93 ARG H H 8.5 0.009 1 1086 383 93 ARG HA H 4.608 0.008 1 1087 383 93 ARG HB2 H 1.231 0.007 2 1088 383 93 ARG HB3 H 0.643 0.01 2 1089 383 93 ARG HG2 H 1.361 0.007 2 1090 383 93 ARG HG3 H 1.361 0.007 2 1091 383 93 ARG HD2 H 2.948 0 2 1092 383 93 ARG HD3 H 2.869 0.002 2 1093 383 93 ARG C C 173.979 0 . 1094 383 93 ARG CA C 53.178 0.088 1 1095 383 93 ARG CB C 31.724 0.082 1 1096 383 93 ARG CG C 26.784 0.066 1 1097 383 93 ARG CD C 42.921 0.041 1 1098 383 93 ARG N N 119.723 0.044 1 1099 384 94 SER H H 7.7 0.007 1 1100 384 94 SER HA H 5.685 0.009 1 1101 384 94 SER HB2 H 3.755 0.004 2 1102 384 94 SER HB3 H 3.435 0.004 2 1103 384 94 SER C C 174.791 0 . 1104 384 94 SER CA C 54.419 0.085 1 1105 384 94 SER CB C 67.147 0.089 1 1106 384 94 SER N N 110.386 0.048 1 1107 385 95 GLY H H 8.36 0.01 1 1108 385 95 GLY HA2 H 4.528 0.003 2 1109 385 95 GLY HA3 H 4.365 0.01 2 1110 385 95 GLY C C 171.619 0 . 1111 385 95 GLY CA C 45.904 0.089 1 1112 385 95 GLY N N 106.738 0.054 1 1113 386 96 THR H H 9.274 0.011 1 1114 386 96 THR HA H 4.604 0.005 1 1115 386 96 THR HB H 4.912 0.005 1 1116 386 96 THR HG2 H 1.395 0.014 1 1117 386 96 THR C C 175.6 0 . 1118 386 96 THR CA C 60.901 0.058 1 1119 386 96 THR CB C 71.709 0.094 1 1120 386 96 THR CG2 C 21.593 0.051 . 1121 386 96 THR N N 111.493 0.071 1 1122 387 97 ILE H H 9.339 0.005 1 1123 387 97 ILE HA H 3.881 0.007 1 1124 387 97 ILE HB H 1.701 0.007 1 1125 387 97 ILE HG12 H 1.66 0.003 2 1126 387 97 ILE HG13 H 0.664 0.001 2 1127 387 97 ILE HG2 H 0.695 0.001 1 1128 387 97 ILE HD1 H 0.748 0.001 . 1129 387 97 ILE C C 178.109 0 . 1130 387 97 ILE CA C 65.826 0.04 1 1131 387 97 ILE CB C 37.717 0.056 1 1132 387 97 ILE CG1 C 30.496 0.033 1 1133 387 97 ILE CG2 C 18.159 0.145 1 1134 387 97 ILE CD1 C 14.25 0.057 . 1135 387 97 ILE N N 121.293 0.055 1 1136 388 98 ASN H H 8.162 0.006 1 1137 388 98 ASN HA H 4.224 0.005 1 1138 388 98 ASN HB2 H 2.679 0 2 1139 388 98 ASN HB3 H 2.637 0 2 1140 388 98 ASN HD21 H 7.67 0 2 1141 388 98 ASN HD22 H 6.984 0 2 1142 388 98 ASN C C 178.04 0 . 1143 388 98 ASN CA C 56.205 0.098 1 1144 388 98 ASN CB C 37.719 0.108 1 1145 388 98 ASN N N 117.358 0.109 1 1146 388 98 ASN ND2 N 113.107 0 1 1147 389 99 ASP H H 7.865 0.005 1 1148 389 99 ASP HA H 4.236 0.032 1 1149 389 99 ASP HB2 H 3.081 0.009 2 1150 389 99 ASP HB3 H 2.807 0.002 2 1151 389 99 ASP C C 177.813 0 . 1152 389 99 ASP CA C 57.639 0.049 1 1153 389 99 ASP CB C 40.497 0.053 1 1154 389 99 ASP N N 121.336 0.056 1 1155 390 100 MET H H 7.874 0.007 1 1156 390 100 MET HA H 4.499 0 1 1157 390 100 MET HB2 H 1.845 0.003 2 1158 390 100 MET HB3 H 1.845 0.003 2 1159 390 100 MET HG2 H 2.572 0 2 1160 390 100 MET HG3 H 2.572 0 2 1161 390 100 MET C C 178.081 0 . 1162 390 100 MET CA C 58.402 0.066 1 1163 390 100 MET CB C 32.263 0.081 1 1164 390 100 MET CG C 30.634 0 1 1165 390 100 MET N N 122.932 0.046 1 1166 391 101 LYS H H 7.994 0.012 1 1167 391 101 LYS HA H 3.484 0.01 1 1168 391 101 LYS HB2 H 1.506 0.011 2 1169 391 101 LYS HB3 H 1.315 0.013 2 1170 391 101 LYS HG2 H -0.293 0.001 2 1171 391 101 LYS HG3 H -0.293 0.001 2 1172 391 101 LYS HD2 H 1.009 0.01 2 1173 391 101 LYS HD3 H 1.009 0.01 2 1174 391 101 LYS HE2 H 3.11 0.024 2 1175 391 101 LYS HE3 H 3.11 0.024 2 1176 391 101 LYS C C 178.102 0 . 1177 391 101 LYS CA C 60.07 0.109 1 1178 391 101 LYS CB C 32.468 0.052 1 1179 391 101 LYS CG C 23.975 0.157 1 1180 391 101 LYS CD C 29.806 0.046 1 1181 391 101 LYS CE C 41.775 0 1 1182 391 101 LYS N N 118.764 0.146 1 1183 392 102 ARG H H 8.088 0.01 1 1184 392 102 ARG HA H 3.971 0.008 1 1185 392 102 ARG HB2 H 1.86 0.017 2 1186 392 102 ARG HB3 H 1.86 0.017 2 1187 392 102 ARG HG2 H 1.731 0.002 2 1188 392 102 ARG HG3 H 1.589 0.009 2 1189 392 102 ARG HD2 H 3.205 0.013 2 1190 392 102 ARG HD3 H 3.205 0.013 2 1191 392 102 ARG C C 178.433 0 . 1192 392 102 ARG CA C 59.485 0.147 1 1193 392 102 ARG CB C 30.282 0.042 1 1194 392 102 ARG CG C 27.786 0.09 1 1195 392 102 ARG CD C 43.4 0 1 1196 392 102 ARG N N 118.974 0.048 1 1197 393 103 TYR H H 8.058 0.009 1 1198 393 103 TYR HA H 4.017 0.019 1 1199 393 103 TYR HB2 H 3.104 0.007 2 1200 393 103 TYR HB3 H 2.809 0.004 2 1201 393 103 TYR HD1 H 6.659 0.003 3 1202 393 103 TYR HD2 H 6.659 0.003 3 1203 393 103 TYR HE1 H 7.28 0.01 3 1204 393 103 TYR HE2 H 7.28 0.01 3 1205 393 103 TYR C C 177.819 0 . 1206 393 103 TYR CA C 61.926 0.099 1 1207 393 103 TYR CB C 39.373 0.105 1 1208 393 103 TYR CD1 C 129.398 0 . 1209 393 103 TYR CD2 C 129.398 0 . 1210 393 103 TYR CE1 C 119.046 0 . 1211 393 103 TYR CE2 C 119.046 0 . 1212 393 103 TYR N N 119.904 0.068 1 1213 394 104 TYR H H 7.846 0.013 1 1214 394 104 TYR HA H 4.167 0.007 1 1215 394 104 TYR HB2 H 3.516 0.01 2 1216 394 104 TYR HB3 H 3.275 0.009 2 1217 394 104 TYR HD1 H 7.176 0.008 3 1218 394 104 TYR HD2 H 7.176 0.008 3 1219 394 104 TYR HE1 H 6.725 0.032 3 1220 394 104 TYR HE2 H 6.725 0.032 3 1221 394 104 TYR C C 177.92 0 . 1222 394 104 TYR CA C 61.764 0.043 1 1223 394 104 TYR CB C 39.162 0.072 1 1224 394 104 TYR CD1 C 128.384 5.054 . 1225 394 104 TYR CD2 C 128.384 5.054 . 1226 394 104 TYR CE1 C 117.588 0 . 1227 394 104 TYR CE2 C 117.588 0 . 1228 394 104 TYR N N 119.418 0.051 1 1229 395 105 ASN H H 8.499 0.005 1 1230 395 105 ASN HA H 4.414 0.004 1 1231 395 105 ASN HB2 H 2.819 0.007 2 1232 395 105 ASN HB3 H 2.819 0.007 2 1233 395 105 ASN HD21 H 7.516 0 2 1234 395 105 ASN C C 176.906 0 . 1235 395 105 ASN CA C 55.691 0.067 1 1236 395 105 ASN CB C 38.472 0.109 1 1237 395 105 ASN N N 117.373 0.047 1 1238 395 105 ASN ND2 N 111.572 0 1 1239 396 106 ASN H H 8.081 0.009 1 1240 396 106 ASN HA H 4.531 0.019 1 1241 396 106 ASN HB2 H 2.726 0.014 2 1242 396 106 ASN HB3 H 2.726 0.014 2 1243 396 106 ASN HD21 H 7.515 0 2 1244 396 106 ASN HD22 H 6.841 0 2 1245 396 106 ASN C C 176.45 0 . 1246 396 106 ASN CA C 54.775 0.122 1 1247 396 106 ASN CB C 38.543 0.099 1 1248 396 106 ASN N N 118.101 0.049 1 1249 396 106 ASN ND2 N 112.082 0 1 1250 397 107 GLN H H 7.772 0.01 1 1251 397 107 GLN HA H 3.977 0.007 1 1252 397 107 GLN HB2 H 1.96 0.015 2 1253 397 107 GLN HB3 H 1.819 0.011 2 1254 397 107 GLN HG2 H 2.233 0 2 1255 397 107 GLN HG3 H 2.148 0.01 2 1256 397 107 GLN HE21 H 7.358 0 2 1257 397 107 GLN HE22 H 6.65 0 2 1258 397 107 GLN C C 176.907 0 . 1259 397 107 GLN CA C 56.815 0.061 1 1260 397 107 GLN CB C 28.61 0.083 1 1261 397 107 GLN CG C 33.561 0.028 1 1262 397 107 GLN N N 118.903 0.043 1 1263 397 107 GLN NE2 N 110.781 0.001 1 1264 398 108 GLN H H 7.854 0.008 1 1265 398 108 GLN HA H 3.92 0.012 1 1266 398 108 GLN HB2 H 1.899 0 2 1267 398 108 GLN HB3 H 1.899 0 2 1268 398 108 GLN HG2 H 2.118 0.003 2 1269 398 108 GLN HG3 H 2.073 0 2 1270 398 108 GLN HE21 H 7.67 0 2 1271 398 108 GLN HE22 H 7.003 0 2 1272 398 108 GLN C C 176.321 0 . 1273 398 108 GLN CA C 56.554 0.045 1 1274 398 108 GLN CB C 28.65 0.075 1 1275 398 108 GLN CG C 33.416 0.027 1 1276 398 108 GLN N N 118.101 0.042 1 1277 398 108 GLN NE2 N 112.106 0 1 1278 399 109 ASN H H 7.932 0.009 1 1279 399 109 ASN HA H 4.488 0.005 1 1280 399 109 ASN HB2 H 2.581 0.01 2 1281 399 109 ASN HB3 H 2.581 0.01 2 1282 399 109 ASN HD21 H 7.447 0 2 1283 399 109 ASN HD22 H 6.803 0 2 1284 399 109 ASN CA C 53.744 0.044 1 1285 399 109 ASN CB C 38.586 0.214 1 1286 399 109 ASN N N 117.229 0.051 1 1287 399 109 ASN ND2 N 112.825 0.001 1 1288 400 110 HIS H H 7.961 0.008 1 1289 400 110 HIS CA C 60.813 0 1 1290 400 110 HIS N N 118.498 0.223 1 1291 401 111 TRP HE1 H 10.059 0.009 . 1292 401 111 TRP NE1 N 129.233 0.071 . stop_ save_