data_15275 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Soution Structure of Af54 M-domain ; _BMRB_accession_number 15275 _BMRB_flat_file_name bmr15275.str _Entry_type original _Submission_date 2007-05-31 _Accession_date 2007-05-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ilangovan Udayar . . 2 Hinck Andrew P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 496 "13C chemical shifts" 397 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-09-11 update BMRB 'complete entry citation' 2008-07-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A. fulgidus SRP54 M-domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18618268 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ilangovan Udayar . . 2 Bhuiyan Shakhawat H. . 3 Hinck Cynthia S. . 4 Hoyle Jeffrey T. . 5 Pakhomova Olga N. . 6 Zwieb Christian . . 7 Hinck Andrew P. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 41 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 241 _Page_last 248 _Year 2008 _Details . loop_ _Keyword af54 dynamics NMR protein solution srp54 structure stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'srp54 of archaeoglobus fulgius' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label srp54 $af54 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_af54 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common af54 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'RNA binding' 'signal peptide binding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; MEKGTFTLKDIYKQIEAMNK MGPVRKIFEMLPFGLGLKVD NDVMEMTQEKMKKFRVIMDS MTEEELLNPKIIDSSRIRRI AIGSGTSPQEVKELLNYYKT MKNLMKKMKKNKLPI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 311 MET 2 312 GLU 3 313 LYS 4 314 GLY 5 315 THR 6 316 PHE 7 317 THR 8 318 LEU 9 319 LYS 10 320 ASP 11 321 ILE 12 322 TYR 13 323 LYS 14 324 GLN 15 325 ILE 16 326 GLU 17 327 ALA 18 328 MET 19 329 ASN 20 330 LYS 21 331 MET 22 332 GLY 23 333 PRO 24 334 VAL 25 335 ARG 26 336 LYS 27 337 ILE 28 338 PHE 29 339 GLU 30 340 MET 31 341 LEU 32 342 PRO 33 343 PHE 34 344 GLY 35 345 LEU 36 346 GLY 37 347 LEU 38 348 LYS 39 349 VAL 40 350 ASP 41 351 ASN 42 352 ASP 43 353 VAL 44 354 MET 45 355 GLU 46 356 MET 47 357 THR 48 358 GLN 49 359 GLU 50 360 LYS 51 361 MET 52 362 LYS 53 363 LYS 54 364 PHE 55 365 ARG 56 366 VAL 57 367 ILE 58 368 MET 59 369 ASP 60 370 SER 61 371 MET 62 372 THR 63 373 GLU 64 374 GLU 65 375 GLU 66 376 LEU 67 377 LEU 68 378 ASN 69 379 PRO 70 380 LYS 71 381 ILE 72 382 ILE 73 383 ASP 74 384 SER 75 385 SER 76 386 ARG 77 387 ILE 78 388 ARG 79 389 ARG 80 390 ILE 81 391 ALA 82 392 ILE 83 393 GLY 84 394 SER 85 395 GLY 86 396 THR 87 397 SER 88 398 PRO 89 399 GLN 90 400 GLU 91 401 VAL 92 402 LYS 93 403 GLU 94 404 LEU 95 405 LEU 96 406 ASN 97 407 TYR 98 408 TYR 99 409 LYS 100 410 THR 101 411 MET 102 412 LYS 103 413 ASN 104 414 LEU 105 415 MET 106 416 LYS 107 417 LYS 108 418 MET 109 419 LYS 110 420 LYS 111 421 ASN 112 422 LYS 113 423 LEU 114 424 PRO 115 425 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JQE "Soution Structure Of Af54 M-Domain" 100.00 119 100.00 100.00 3.54e-74 GB AAB90619 "signal recognition particle, subunit SRP54 (srp54) [Archaeoglobus fulgidus DSM 4304]" 98.26 433 100.00 100.00 1.51e-70 GB AIG97502 "Signal recognition particle GTPase [Archaeoglobus fulgidus DSM 8774]" 98.26 433 100.00 100.00 1.51e-70 REF WP_010878126 "signal recognition particle [Archaeoglobus fulgidus]" 98.26 433 100.00 100.00 1.51e-70 SP O29633 "RecName: Full=Signal recognition particle 54 kDa protein; Short=SRP54" 98.26 433 100.00 100.00 1.51e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $af54 . 2234 Archaea . Archaeoglobus fulgidus 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 $af54 'recombinant technology' . Escherichia coli . pLysS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N_af54 sample in 25 mM sodium phosphate, 0.02% (w/v) sodium azide, pH 5.5, 0.5 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $af54 0.5 mM '[U-95% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 0.02 '% (w/v)' 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '13C,15N_af54 sample in 25 mM sodium phosphate, 0.02% (w/v) sodium azide, pH 5.5, 0.5 mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $af54 0.5 mM '[U-95% 13C; U-95% 15N]' af54 0.5 mM '[U-95% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 0.02 '% (w/v)' 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'Spectral Visualization' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.6 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'equipped with cryo probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 5.5 0.05 pH pressure 1 . atm temperature 300 0.2 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details '5% poly acrylamide gel stretched (6.0 mm --> 4.2 mm) for RDC mesurement' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 5.5 0.05 pH pressure 1 . atm temperature 300 0.2 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 _Reference_correction_type DSS C 13 'methyl protons' ppm 0.00 . indirect cylindrical 'separate tube (no insert) not similar to the experimental sample tube' parallel 0.251449530 . DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical 'separate tube (no insert) not similar to the experimental sample tube' parallel 1.000000000 temperature DSS N 15 'methyl protons' ppm 0.00 . indirect cylindrical 'separate tube (no insert) not similar to the experimental sample tube' parallel 0.101329118 . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNHA' '3D HNHB' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HNCO' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name srp54 _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 1 311 1 MET HA H 4.47 0.03 1 2 311 1 MET C C 176.15 0.1 1 3 311 1 MET CA C 55.65 0.1 1 4 311 1 MET CB C 32.95 0.1 1 5 311 1 MET N N 122.72 0.1 1 6 312 2 GLU H H 8.41 0.03 1 7 312 2 GLU HA H 4.33 0.03 1 8 312 2 GLU HB2 H 1.79 0.03 2 9 312 2 GLU HB3 H 1.84 0.03 2 10 312 2 GLU C C 176.48 0.1 1 11 312 2 GLU CA C 56.66 0.1 1 12 312 2 GLU CB C 30.29 0.1 1 13 312 2 GLU CG C 36.16 0.1 1 14 312 2 GLU N N 122.70 0.1 1 15 313 3 LYS H H 8.42 0.03 1 16 313 3 LYS HA H 4.29 0.03 1 17 313 3 LYS HB2 H 1.90 0.03 2 18 313 3 LYS HB3 H 1.90 0.03 2 19 313 3 LYS HE2 H 3.00 0.03 2 20 313 3 LYS HE3 H 3.00 0.03 2 21 313 3 LYS C C 177.15 0.1 1 22 313 3 LYS CA C 56.66 0.1 1 23 313 3 LYS CB C 33.10 0.1 1 24 313 3 LYS CD C 29.09 0.1 1 25 313 3 LYS CE C 42.14 0.1 1 26 313 3 LYS CG C 24.84 0.1 1 27 313 3 LYS N N 122.86 0.1 1 28 314 4 GLY H H 8.54 0.03 1 29 314 4 GLY HA2 H 4.00 0.03 2 30 314 4 GLY HA3 H 4.03 0.03 2 31 314 4 GLY C C 174.15 0.1 1 32 314 4 GLY CA C 45.64 0.1 1 33 314 4 GLY N N 110.13 0.1 1 34 315 5 THR H H 7.97 0.03 1 35 315 5 THR HA H 4.42 0.03 1 36 315 5 THR HB H 4.19 0.03 1 37 315 5 THR HG2 H 1.22 0.03 1 38 315 5 THR C C 173.43 0.1 1 39 315 5 THR CA C 61.70 0.1 1 40 315 5 THR CB C 70.50 0.1 1 41 315 5 THR CG2 C 21.74 0.1 1 42 315 5 THR N N 113.81 0.1 1 43 316 6 PHE H H 8.49 0.03 1 44 316 6 PHE HA H 5.05 0.03 1 45 316 6 PHE HB2 H 2.98 0.03 2 46 316 6 PHE HB3 H 3.10 0.03 2 47 316 6 PHE HD1 H 6.74 0.03 3 48 316 6 PHE HD2 H 6.73 0.03 3 49 316 6 PHE HE1 H 7.13 0.03 3 50 316 6 PHE HE2 H 7.13 0.03 3 51 316 6 PHE C C 175.68 0.1 1 52 316 6 PHE CA C 58.10 0.1 1 53 316 6 PHE CB C 41.02 0.1 1 54 316 6 PHE N N 125.09 0.1 1 55 317 7 THR H H 9.77 0.03 1 56 317 7 THR HA H 4.73 0.03 1 57 317 7 THR HB H 5.01 0.03 1 58 317 7 THR HG2 H 1.32 0.03 1 59 317 7 THR C C 175.49 0.1 1 60 317 7 THR CA C 61.78 0.1 1 61 317 7 THR CB C 71.70 0.1 1 62 317 7 THR CG2 C 21.31 0.1 1 63 317 7 THR N N 122.29 0.1 1 64 318 8 LEU H H 7.80 0.03 1 65 318 8 LEU HA H 3.95 0.03 1 66 318 8 LEU HB2 H 2.03 0.03 2 67 318 8 LEU HB3 H 1.61 0.03 2 68 318 8 LEU HD1 H 0.70 0.03 2 69 318 8 LEU HD2 H 0.69 0.03 2 70 318 8 LEU HG H 1.00 0.03 1 71 318 8 LEU C C 179.40 0.1 1 72 318 8 LEU CA C 58.12 0.1 1 73 318 8 LEU CB C 41.26 0.1 1 74 318 8 LEU CD1 C 26.36 0.1 1 75 318 8 LEU CD2 C 24.48 0.1 1 76 318 8 LEU CG C 27.73 0.1 1 77 318 8 LEU N N 116.97 0.1 1 78 319 9 LYS H H 7.95 0.03 1 79 319 9 LYS HA H 3.88 0.03 1 80 319 9 LYS HB2 H 1.55 0.03 2 81 319 9 LYS HB3 H 1.74 0.03 2 82 319 9 LYS HE2 H 2.89 0.03 2 83 319 9 LYS HE3 H 2.89 0.03 2 84 319 9 LYS C C 178.79 0.1 1 85 319 9 LYS CA C 59.40 0.1 1 86 319 9 LYS CB C 31.51 0.1 1 87 319 9 LYS CD C 29.17 0.1 1 88 319 9 LYS CE C 41.56 0.1 1 89 319 9 LYS CG C 26.21 0.1 1 90 319 9 LYS N N 118.06 0.1 1 91 320 10 ASP H H 7.17 0.03 1 92 320 10 ASP HA H 4.35 0.03 1 93 320 10 ASP HB2 H 2.49 0.03 2 94 320 10 ASP HB3 H 2.42 0.03 2 95 320 10 ASP C C 178.85 0.1 1 96 320 10 ASP CA C 58.10 0.1 1 97 320 10 ASP CB C 41.75 0.1 1 98 320 10 ASP N N 117.26 0.1 1 99 321 11 ILE H H 7.00 0.03 1 100 321 11 ILE HA H 3.97 0.03 1 101 321 11 ILE HB H 2.36 0.03 1 102 321 11 ILE HD1 H 1.13 0.03 1 103 321 11 ILE HG2 H 1.09 0.03 1 104 321 11 ILE C C 178.19 0.1 1 105 321 11 ILE CA C 62.80 0.1 1 106 321 11 ILE CB C 38.16 0.1 1 107 321 11 ILE CD1 C 11.98 0.1 1 108 321 11 ILE CG2 C 17.35 0.1 1 109 321 11 ILE N N 119.34 0.1 1 110 322 12 TYR HD1 H 7.15 0.03 3 111 322 12 TYR HD2 H 7.15 0.03 3 112 322 12 TYR HE1 H 6.83 0.03 3 113 322 12 TYR HE2 H 6.83 0.03 3 114 322 12 TYR C C 178.18 0.1 1 115 322 12 TYR CA C 62.80 0.1 1 116 322 12 TYR CB C 38.30 0.1 1 117 322 12 TYR CE1 C 118.55 0.1 3 118 322 12 TYR CE2 C 118.55 0.1 3 119 323 13 LYS H H 8.07 0.03 1 120 323 13 LYS HA H 4.22 0.03 1 121 323 13 LYS HB2 H 1.99 0.03 2 122 323 13 LYS HB3 H 1.99 0.03 2 123 323 13 LYS HE2 H 2.83 0.03 1 124 323 13 LYS CA C 54.64 0.1 1 125 323 13 LYS CB C 32.40 0.1 1 126 323 13 LYS CD C 29.24 0.1 1 127 323 13 LYS CE C 42.06 0.1 1 128 323 13 LYS CG C 25.42 0.1 1 129 323 13 LYS N N 116.43 0.1 1 130 324 14 GLN H H 7.77 0.03 1 131 324 14 GLN HA H 4.13 0.03 1 132 324 14 GLN HB2 H 2.31 0.03 2 133 324 14 GLN HB3 H 2.31 0.03 2 134 324 14 GLN C C 178.25 0.1 1 135 324 14 GLN CA C 58.85 0.1 1 136 324 14 GLN CB C 28.43 0.1 1 137 324 14 GLN CG C 33.63 0.1 1 138 324 14 GLN N N 120.42 0.1 1 139 325 15 ILE H H 8.25 0.03 1 140 325 15 ILE HA H 3.72 0.03 1 141 325 15 ILE HB H 1.87 0.03 1 142 325 15 ILE HD1 H 0.86 0.03 1 143 325 15 ILE HG2 H 0.81 0.03 1 144 325 15 ILE C C 178.29 0.1 1 145 325 15 ILE CA C 65.40 0.1 1 146 325 15 ILE CB C 37.66 0.1 1 147 325 15 ILE CD1 C 14.55 0.1 1 148 325 15 ILE CG2 C 17.45 0.1 1 149 325 15 ILE N N 119.66 0.1 1 150 326 16 GLU H H 8.19 0.03 1 151 326 16 GLU HA H 3.97 0.03 1 152 326 16 GLU HB2 H 2.05 0.03 2 153 326 16 GLU HB3 H 2.05 0.03 2 154 326 16 GLU HG2 H 2.35 0.03 1 155 326 16 GLU HG3 H 2.64 0.03 1 156 326 16 GLU C C 179.44 0.1 1 157 326 16 GLU CA C 59.62 0.1 1 158 326 16 GLU CB C 30.00 0.1 1 159 326 16 GLU CG C 36.66 0.1 1 160 326 16 GLU N N 120.16 0.1 1 161 327 17 ALA H H 7.81 0.03 1 162 327 17 ALA HA H 4.16 0.03 1 163 327 17 ALA HB H 1.52 0.03 1 164 327 17 ALA CA C 54.50 0.1 1 165 327 17 ALA CB C 18.41 0.1 1 166 327 17 ALA N N 120.58 0.1 1 167 342 32 PRO HA H 4.53 0.03 1 168 342 32 PRO HB2 H 2.15 0.03 1 169 342 32 PRO HB3 H 2.35 0.03 1 170 342 32 PRO HD2 H 3.56 0.03 1 171 342 32 PRO HD3 H 3.46 0.03 1 172 342 32 PRO HG2 H 1.90 0.03 1 173 342 32 PRO HG3 H 1.85 0.03 1 174 342 32 PRO C C 175.47 0.1 1 175 342 32 PRO CA C 62.67 0.1 1 176 342 32 PRO CB C 34.61 0.1 1 177 342 32 PRO CD C 50.39 0.1 1 178 342 32 PRO CG C 24.77 0.1 1 179 343 33 PHE H H 7.95 0.03 1 180 343 33 PHE HA H 3.99 0.03 1 181 343 33 PHE HB2 H 1.82 0.03 2 182 343 33 PHE HB3 H 1.82 0.03 2 183 343 33 PHE CA C 63.36 0.1 1 184 343 33 PHE CB C 39.15 0.1 1 185 343 33 PHE N N 124.18 0.1 1 186 344 34 GLY HA2 H 3.93 0.03 2 187 344 34 GLY HA3 H 3.93 0.03 2 188 344 34 GLY C C 173.78 0.1 1 189 344 34 GLY CA C 45.28 0.1 1 190 345 35 LEU H H 8.06 0.03 1 191 345 35 LEU HA H 4.32 0.03 1 192 345 35 LEU HB2 H 1.51 0.03 1 193 345 35 LEU HD2 H 0.83 0.03 2 194 345 35 LEU CA C 55.15 0.1 1 195 345 35 LEU CB C 42.75 0.1 1 196 345 35 LEU CD2 C 23.72 0.1 1 197 345 35 LEU N N 121.81 0.1 1 198 347 37 LEU C C 174.43 0.1 1 199 347 37 LEU CA C 53.42 0.1 1 200 347 37 LEU CB C 39.30 0.1 1 201 348 38 LYS H H 7.98 0.03 1 202 348 38 LYS HA H 4.26 0.03 1 203 348 38 LYS HB2 H 1.80 0.03 2 204 348 38 LYS HB3 H 1.80 0.03 2 205 348 38 LYS HG2 H 1.42 0.03 2 206 348 38 LYS HG3 H 1.42 0.03 2 207 348 38 LYS CA C 56.23 0.1 1 208 348 38 LYS CB C 33.31 0.1 1 209 348 38 LYS CD C 29.17 0.1 1 210 348 38 LYS CG C 24.84 0.1 1 211 348 38 LYS N N 120.95 0.1 1 212 349 39 VAL H H 8.18 0.03 1 213 349 39 VAL HA H 4.12 0.03 1 214 349 39 VAL HB H 2.00 0.03 1 215 349 39 VAL HG1 H 0.82 0.03 2 216 349 39 VAL HG2 H 0.83 0.03 2 217 349 39 VAL C C 175.59 0.1 1 218 349 39 VAL CA C 62.09 0.1 1 219 349 39 VAL CB C 32.95 0.1 1 220 349 39 VAL CG1 C 21.58 0.1 1 221 349 39 VAL CG2 C 20.60 0.1 1 222 349 39 VAL N N 121.73 0.1 1 223 350 40 ASP H H 8.34 0.03 1 224 350 40 ASP HA H 4.58 0.03 1 225 350 40 ASP HB2 H 2.69 0.03 2 226 350 40 ASP HB3 H 2.69 0.03 2 227 350 40 ASP C C 175.89 0.1 1 228 350 40 ASP CA C 54.35 0.1 1 229 350 40 ASP CB C 41.27 0.1 1 230 350 40 ASP N N 123.89 0.1 1 231 351 41 ASN H H 8.36 0.03 1 232 351 41 ASN HA H 4.76 0.03 1 233 351 41 ASN HB2 H 2.76 0.03 2 234 351 41 ASN HB3 H 3.24 0.03 2 235 351 41 ASN CA C 51.92 0.1 1 236 351 41 ASN CB C 42.27 0.1 1 237 351 41 ASN N N 118.83 0.1 1 238 352 42 ASP H H 8.40 0.03 1 239 352 42 ASP HA H 4.54 0.03 1 240 352 42 ASP N N 119.36 0.1 1 241 357 47 THR HA H 4.33 0.03 1 242 357 47 THR HB H 4.21 0.03 1 243 357 47 THR HG2 H 1.18 0.03 1 244 357 47 THR CA C 62.05 0.1 1 245 357 47 THR CB C 69.76 0.1 1 246 358 48 GLN HA H 3.93 0.03 1 247 358 48 GLN HB2 H 2.07 0.03 2 248 358 48 GLN HB3 H 2.07 0.03 2 249 358 48 GLN HE21 H 7.50 0.03 1 250 358 48 GLN HE22 H 6.90 0.03 1 251 358 48 GLN HG2 H 2.39 0.03 2 252 358 48 GLN HG3 H 2.39 0.03 2 253 358 48 GLN NE2 N 111.96 0.1 1 254 360 50 LYS HA H 3.63 0.03 1 255 360 50 LYS HB2 H 1.27 0.03 2 256 360 50 LYS HB3 H 1.27 0.03 2 257 360 50 LYS HD2 H 1.57 0.03 2 258 360 50 LYS HD3 H 1.57 0.03 2 259 360 50 LYS HE2 H 2.86 0.03 1 260 360 50 LYS HG2 H 1.47 0.03 2 261 360 50 LYS HG3 H 1.47 0.03 2 262 360 50 LYS C C 178.30 0.1 1 263 360 50 LYS CA C 58.84 0.1 1 264 360 50 LYS CB C 31.60 0.1 1 265 360 50 LYS CD C 28.66 0.1 1 266 360 50 LYS CE C 41.78 0.1 1 267 360 50 LYS CG C 24.12 0.1 1 268 361 51 MET H H 7.91 0.03 1 269 361 51 MET HA H 3.65 0.03 1 270 361 51 MET HB2 H 1.89 0.03 2 271 361 51 MET HB3 H 1.89 0.03 2 272 361 51 MET HE H 2.09 0.03 1 273 361 51 MET HG2 H 2.52 0.03 1 274 361 51 MET HG3 H 2.33 0.03 1 275 361 51 MET C C 178.17 0.1 1 276 361 51 MET CA C 59.33 0.1 1 277 361 51 MET CB C 32.52 0.1 1 278 361 51 MET CG C 33.06 0.1 1 279 361 51 MET N N 116.59 0.1 1 280 362 52 LYS H H 7.67 0.03 1 281 362 52 LYS HA H 3.91 0.03 1 282 362 52 LYS HB2 H 1.87 0.03 2 283 362 52 LYS HB3 H 1.87 0.03 2 284 362 52 LYS HD2 H 1.63 0.03 2 285 362 52 LYS HD3 H 1.63 0.03 2 286 362 52 LYS HE2 H 2.91 0.03 2 287 362 52 LYS HE3 H 2.91 0.03 2 288 362 52 LYS C C 178.88 0.1 1 289 362 52 LYS CA C 59.76 0.1 1 290 362 52 LYS CB C 32.16 0.1 1 291 362 52 LYS CD C 29.45 0.1 1 292 362 52 LYS CE C 42.14 0.1 1 293 362 52 LYS CG C 25.42 0.1 1 294 362 52 LYS N N 118.30 0.1 1 295 363 53 LYS H H 7.61 0.03 1 296 363 53 LYS HA H 4.04 0.03 1 297 363 53 LYS HB2 H 1.79 0.03 2 298 363 53 LYS HB3 H 1.93 0.03 2 299 363 53 LYS HE2 H 2.96 0.03 2 300 363 53 LYS HE3 H 2.96 0.03 2 301 363 53 LYS CA C 58.82 0.1 1 302 363 53 LYS CB C 31.76 0.1 1 303 363 53 LYS CD C 28.95 0.1 1 304 363 53 LYS CE C 41.56 0.1 1 305 363 53 LYS CG C 24.84 0.1 1 306 363 53 LYS N N 119.69 0.1 1 307 364 54 PHE H H 8.71 0.03 1 308 364 54 PHE HA H 4.47 0.03 1 309 364 54 PHE HB2 H 2.88 0.03 2 310 364 54 PHE HB3 H 3.45 0.03 2 311 364 54 PHE C C 175.61 0.1 1 312 364 54 PHE CA C 57.60 0.1 1 313 364 54 PHE CB C 36.56 0.1 1 314 364 54 PHE N N 117.29 0.1 1 315 365 55 ARG H H 7.85 0.03 1 316 365 55 ARG HA H 3.75 0.03 1 317 365 55 ARG HB2 H 1.74 0.03 1 318 365 55 ARG HB3 H 2.02 0.03 1 319 365 55 ARG HD2 H 2.99 0.03 2 320 365 55 ARG HD3 H 2.99 0.03 2 321 365 55 ARG HG2 H 1.43 0.03 1 322 365 55 ARG HG3 H 1.43 0.03 1 323 365 55 ARG C C 176.94 0.1 1 324 365 55 ARG CA C 60.77 0.1 1 325 365 55 ARG CB C 30.07 0.1 1 326 365 55 ARG CD C 43.58 0.1 1 327 365 55 ARG CG C 27.51 0.1 1 328 365 55 ARG N N 119.29 0.1 1 329 366 56 VAL H H 7.71 0.03 1 330 366 56 VAL HA H 3.92 0.03 1 331 366 56 VAL HB H 2.28 0.03 1 332 366 56 VAL HG1 H 1.13 0.03 2 333 366 56 VAL HG2 H 1.17 0.03 2 334 366 56 VAL CA C 66.16 0.1 1 335 366 56 VAL CB C 31.66 0.1 1 336 366 56 VAL CG1 C 21.66 0.1 1 337 366 56 VAL CG2 C 22.57 0.1 1 338 366 56 VAL N N 117.28 0.1 1 339 367 57 ILE H H 8.29 0.03 1 340 367 57 ILE HA H 3.53 0.03 1 341 367 57 ILE HB H 2.00 0.03 1 342 367 57 ILE HD1 H 0.79 0.03 1 343 367 57 ILE HG2 H 0.80 0.03 1 344 367 57 ILE CA C 66.46 0.1 1 345 367 57 ILE CB C 38.34 0.1 1 346 367 57 ILE CD1 C 14.04 0.1 1 347 367 57 ILE CG2 C 19.34 0.1 1 348 367 57 ILE N N 121.69 0.1 1 349 368 58 MET H H 8.03 0.03 1 350 368 58 MET HA H 4.22 0.03 1 351 368 58 MET HB2 H 2.02 0.03 2 352 368 58 MET HB3 H 2.49 0.03 2 353 368 58 MET C C 179.03 0.1 1 354 368 58 MET CA C 60.19 0.1 1 355 368 58 MET CB C 34.43 0.1 1 356 368 58 MET N N 117.63 0.1 1 357 369 59 ASP H H 8.47 0.03 1 358 369 59 ASP HA H 4.64 0.03 1 359 369 59 ASP HB2 H 2.81 0.03 2 360 369 59 ASP HB3 H 2.93 0.03 2 361 369 59 ASP C C 177.55 0.1 1 362 369 59 ASP CA C 56.61 0.1 1 363 369 59 ASP CB C 40.26 0.1 1 364 369 59 ASP N N 119.65 0.1 1 365 370 60 SER H H 7.64 0.03 1 366 370 60 SER HA H 4.63 0.03 1 367 370 60 SER HB2 H 3.92 0.03 2 368 370 60 SER HB3 H 4.13 0.03 2 369 370 60 SER C C 173.81 0.1 1 370 370 60 SER CA C 59.71 0.1 1 371 370 60 SER CB C 65.62 0.1 1 372 370 60 SER N N 115.26 0.1 1 373 371 61 MET H H 7.50 0.03 1 374 371 61 MET HA H 4.37 0.03 1 375 371 61 MET HB2 H 2.15 0.03 2 376 371 61 MET HB3 H 2.10 0.03 2 377 371 61 MET HE H 1.77 0.03 1 378 371 61 MET C C 176.33 0.1 1 379 371 61 MET CA C 56.08 0.1 1 380 371 61 MET CB C 33.90 0.1 1 381 371 61 MET CE C 18.21 0.1 1 382 371 61 MET N N 121.56 0.1 1 383 372 62 THR H H 9.07 0.03 1 384 372 62 THR HA H 4.41 0.03 1 385 372 62 THR HB H 4.63 0.03 1 386 372 62 THR HG2 H 1.18 0.03 1 387 372 62 THR C C 175.14 0.1 1 388 372 62 THR CA C 60.20 0.1 1 389 372 62 THR CB C 70.69 0.1 1 390 372 62 THR CG2 C 21.73 0.1 1 391 372 62 THR N N 113.55 0.1 1 392 373 63 GLU H H 8.67 0.03 1 393 373 63 GLU HA H 3.88 0.03 1 394 373 63 GLU HB2 H 1.92 0.03 2 395 373 63 GLU HB3 H 1.99 0.03 2 396 373 63 GLU HG2 H 2.23 0.03 2 397 373 63 GLU HG3 H 2.23 0.03 2 398 373 63 GLU C C 177.85 0.1 1 399 373 63 GLU CA C 59.86 0.1 1 400 373 63 GLU CB C 29.37 0.1 1 401 373 63 GLU CG C 35.66 0.1 1 402 373 63 GLU N N 121.20 0.1 1 403 374 64 GLU H H 8.05 0.03 1 404 374 64 GLU HA H 3.84 0.03 1 405 374 64 GLU HB2 H 1.84 0.03 2 406 374 64 GLU HB3 H 1.96 0.03 2 407 374 64 GLU C C 178.67 0.1 1 408 374 64 GLU CA C 59.47 0.1 1 409 374 64 GLU CB C 29.54 0.1 1 410 374 64 GLU CG C 36.17 0.1 1 411 374 64 GLU N N 115.72 0.1 1 412 375 65 GLU H H 7.25 0.03 1 413 375 65 GLU HA H 3.51 0.03 1 414 375 65 GLU HB2 H 1.64 0.03 2 415 375 65 GLU HB3 H 2.37 0.03 2 416 375 65 GLU HG2 H 2.25 0.03 2 417 375 65 GLU HG3 H 2.38 0.03 2 418 375 65 GLU C C 176.68 0.1 1 419 375 65 GLU CA C 58.65 0.1 1 420 375 65 GLU CB C 29.52 0.1 1 421 375 65 GLU CG C 37.77 0.1 1 422 375 65 GLU N N 119.01 0.1 1 423 376 66 LEU H H 7.73 0.03 1 424 376 66 LEU HA H 3.91 0.03 1 425 376 66 LEU HB2 H 1.87 0.03 2 426 376 66 LEU HB3 H 1.00 0.03 2 427 376 66 LEU HD1 H 0.65 0.03 2 428 376 66 LEU HD2 H 0.76 0.03 2 429 376 66 LEU HG H 1.67 0.03 1 430 376 66 LEU C C 179.54 0.1 1 431 376 66 LEU CA C 57.31 0.1 1 432 376 66 LEU CB C 43.01 0.1 1 433 376 66 LEU CD1 C 26.33 0.1 1 434 376 66 LEU CD2 C 24.98 0.1 1 435 376 66 LEU N N 114.32 0.1 1 436 377 67 LEU H H 7.79 0.03 1 437 377 67 LEU HA H 4.17 0.03 1 438 377 67 LEU HB2 H 1.47 0.03 2 439 377 67 LEU HB3 H 1.77 0.03 2 440 377 67 LEU HD1 H 0.84 0.03 2 441 377 67 LEU HD2 H 0.86 0.03 2 442 377 67 LEU HG H 1.72 0.03 1 443 377 67 LEU C C 177.37 0.1 1 444 377 67 LEU CA C 56.02 0.1 1 445 377 67 LEU CB C 43.13 0.1 1 446 377 67 LEU CD1 C 25.37 0.1 1 447 377 67 LEU CD2 C 23.03 0.1 1 448 377 67 LEU CG C 27.16 0.1 1 449 377 67 LEU N N 114.60 0.1 1 450 378 68 ASN H H 7.71 0.03 1 451 378 68 ASN HA H 5.06 0.03 1 452 378 68 ASN HB2 H 2.65 0.03 1 453 378 68 ASN HB3 H 2.91 0.03 1 454 378 68 ASN HD21 H 7.74 0.03 1 455 378 68 ASN HD22 H 6.93 0.03 1 456 378 68 ASN C C 171.13 0.1 1 457 378 68 ASN CA C 50.46 0.1 1 458 378 68 ASN CB C 38.68 0.1 1 459 378 68 ASN N N 115.27 0.1 1 460 378 68 ASN ND2 N 112.90 0.1 1 461 379 69 PRO HA H 4.45 0.03 1 462 379 69 PRO HB2 H 1.68 0.03 2 463 379 69 PRO HB3 H 1.93 0.03 2 464 379 69 PRO HD2 H 3.59 0.03 1 465 379 69 PRO HD3 H 3.41 0.03 1 466 379 69 PRO HG2 H 1.37 0.03 2 467 379 69 PRO HG3 H 1.48 0.03 2 468 379 69 PRO C C 178.12 0.1 1 469 379 69 PRO CA C 64.18 0.1 1 470 379 69 PRO CB C 31.70 0.1 1 471 379 69 PRO CD C 49.29 0.1 1 472 379 69 PRO CG C 27.56 0.1 1 473 380 70 LYS H H 7.73 0.03 1 474 380 70 LYS HA H 4.14 0.03 1 475 380 70 LYS HB2 H 1.84 0.03 1 476 380 70 LYS HB3 H 1.93 0.03 1 477 380 70 LYS HE2 H 3.02 0.03 2 478 380 70 LYS C C 177.86 0.1 1 479 380 70 LYS CA C 58.72 0.1 1 480 380 70 LYS CB C 31.98 0.1 1 481 380 70 LYS CD C 29.44 0.1 1 482 380 70 LYS CE C 41.93 0.1 1 483 380 70 LYS CG C 24.94 0.1 1 484 380 70 LYS N N 117.69 0.1 1 485 381 71 ILE H H 7.83 0.03 1 486 381 71 ILE HA H 4.21 0.03 1 487 381 71 ILE HB H 2.06 0.03 1 488 381 71 ILE HD1 H 0.67 0.03 1 489 381 71 ILE HG12 H 1.08 0.03 2 490 381 71 ILE HG13 H 1.08 0.03 2 491 381 71 ILE HG2 H 0.90 0.03 1 492 381 71 ILE C C 176.30 0.1 1 493 381 71 ILE CA C 61.97 0.1 1 494 381 71 ILE CB C 38.41 0.1 1 495 381 71 ILE CD1 C 14.21 0.1 1 496 381 71 ILE CG1 C 25.78 0.1 1 497 381 71 ILE CG2 C 17.49 0.1 1 498 381 71 ILE N N 112.78 0.1 1 499 382 72 ILE H H 7.45 0.03 1 500 382 72 ILE HA H 3.49 0.03 1 501 382 72 ILE HB H 1.95 0.03 1 502 382 72 ILE HD1 H 0.79 0.03 1 503 382 72 ILE HG12 H 0.64 0.03 2 504 382 72 ILE HG13 H 0.64 0.03 2 505 382 72 ILE HG2 H 0.77 0.03 1 506 382 72 ILE C C 173.13 0.1 1 507 382 72 ILE CA C 64.10 0.1 1 508 382 72 ILE CB C 36.63 0.1 1 509 382 72 ILE CD1 C 13.96 0.1 1 510 382 72 ILE CG1 C 29.11 0.1 1 511 382 72 ILE CG2 C 18.98 0.1 1 512 382 72 ILE N N 121.09 0.1 1 513 383 73 ASP H H 7.58 0.03 1 514 383 73 ASP HA H 4.80 0.03 1 515 383 73 ASP HB2 H 2.76 0.03 1 516 383 73 ASP HB3 H 3.25 0.03 1 517 383 73 ASP C C 176.15 0.1 1 518 383 73 ASP CA C 51.97 0.1 1 519 383 73 ASP CB C 42.28 0.1 1 520 383 73 ASP N N 130.96 0.1 1 521 384 74 SER H H 8.61 0.03 1 522 384 74 SER HA H 5.09 0.03 1 523 384 74 SER HB2 H 3.94 0.03 2 524 384 74 SER HB3 H 3.94 0.03 2 525 384 74 SER CA C 62.63 0.1 1 526 384 74 SER N N 113.80 0.1 1 527 385 75 SER HA H 4.25 0.03 1 528 385 75 SER HB2 H 3.72 0.03 2 529 385 75 SER C C 177.36 0.1 1 530 385 75 SER CA C 61.66 0.1 1 531 385 75 SER CB C 62.70 0.1 1 532 386 76 ARG H H 8.09 0.03 1 533 386 76 ARG HA H 4.16 0.03 1 534 386 76 ARG HB2 H 1.76 0.03 1 535 386 76 ARG HB3 H 1.99 0.03 1 536 386 76 ARG HD2 H 3.40 0.03 2 537 386 76 ARG HD3 H 3.40 0.03 2 538 386 76 ARG HG2 H 1.61 0.03 2 539 386 76 ARG C C 178.11 0.1 1 540 386 76 ARG CA C 59.58 0.1 1 541 386 76 ARG CB C 29.93 0.1 1 542 386 76 ARG CD C 43.87 0.1 1 543 386 76 ARG N N 124.66 0.1 1 544 387 77 ILE H H 8.76 0.03 1 545 387 77 ILE HA H 3.38 0.03 1 546 387 77 ILE HB H 1.90 0.03 1 547 387 77 ILE HD1 H 0.66 0.03 1 548 387 77 ILE HG12 H 0.64 0.03 2 549 387 77 ILE HG13 H 0.64 0.03 2 550 387 77 ILE HG2 H 0.85 0.03 1 551 387 77 ILE C C 177.10 0.1 1 552 387 77 ILE CA C 66.86 0.1 1 553 387 77 ILE CB C 37.34 0.1 1 554 387 77 ILE CD1 C 13.19 0.1 1 555 387 77 ILE CG1 C 30.55 0.1 1 556 387 77 ILE CG2 C 17.42 0.1 1 557 387 77 ILE N N 119.26 0.1 1 558 388 78 ARG H H 7.56 0.03 1 559 388 78 ARG HA H 3.87 0.03 1 560 388 78 ARG HB2 H 1.95 0.03 2 561 388 78 ARG HB3 H 1.95 0.03 2 562 388 78 ARG HD2 H 3.23 0.03 2 563 388 78 ARG HD3 H 3.23 0.03 2 564 388 78 ARG HG2 H 1.60 0.03 2 565 388 78 ARG HG3 H 1.60 0.03 2 566 388 78 ARG C C 177.55 0.1 1 567 388 78 ARG CA C 60.16 0.1 1 568 388 78 ARG CB C 29.85 0.1 1 569 388 78 ARG CD C 43.43 0.1 1 570 388 78 ARG CG C 27.73 0.1 1 571 388 78 ARG N N 118.05 0.1 1 572 389 79 ARG H H 7.40 0.03 1 573 389 79 ARG HA H 3.85 0.03 1 574 389 79 ARG HB2 H 2.06 0.03 2 575 389 79 ARG HB3 H 2.06 0.03 2 576 389 79 ARG C C 179.98 0.1 1 577 389 79 ARG CA C 59.77 0.1 1 578 389 79 ARG CB C 30.53 0.1 1 579 389 79 ARG CD C 42.57 0.1 1 580 389 79 ARG N N 119.78 0.1 1 581 390 80 ILE H H 8.88 0.03 1 582 390 80 ILE HA H 3.55 0.03 1 583 390 80 ILE HB H 1.70 0.03 1 584 390 80 ILE HD1 H 0.72 0.03 1 585 390 80 ILE HG12 H 0.78 0.03 2 586 390 80 ILE HG13 H 0.78 0.03 2 587 390 80 ILE HG2 H 0.80 0.03 1 588 390 80 ILE C C 179.36 0.1 1 589 390 80 ILE CA C 64.85 0.1 1 590 390 80 ILE CB C 39.21 0.1 1 591 390 80 ILE CD1 C 14.91 0.1 1 592 390 80 ILE CG1 C 30.13 0.1 1 593 390 80 ILE CG2 C 20.18 0.1 1 594 390 80 ILE N N 121.35 0.1 1 595 391 81 ALA H H 8.85 0.03 1 596 391 81 ALA HA H 3.77 0.03 1 597 391 81 ALA HB H 1.29 0.03 1 598 391 81 ALA C C 179.00 0.1 1 599 391 81 ALA CA C 55.23 0.1 1 600 391 81 ALA CB C 17.66 0.1 1 601 391 81 ALA N N 125.76 0.1 1 602 392 82 ILE H H 8.05 0.03 1 603 392 82 ILE HA H 3.83 0.03 1 604 392 82 ILE HB H 1.87 0.03 1 605 392 82 ILE HD1 H 0.86 0.03 1 606 392 82 ILE HG12 H 1.22 0.03 2 607 392 82 ILE HG13 H 1.22 0.03 2 608 392 82 ILE HG2 H 0.93 0.03 1 609 392 82 ILE C C 180.58 0.1 1 610 392 82 ILE CA C 64.58 0.1 1 611 392 82 ILE CB C 38.12 0.1 1 612 392 82 ILE CD1 C 13.20 0.1 1 613 392 82 ILE CG1 C 29.44 0.1 1 614 392 82 ILE CG2 C 17.10 0.1 1 615 392 82 ILE N N 117.47 0.1 1 616 393 83 GLY H H 8.58 0.03 1 617 393 83 GLY HA2 H 3.88 0.03 2 618 393 83 GLY HA3 H 3.88 0.03 2 619 393 83 GLY C C 174.70 0.1 1 620 393 83 GLY CA C 47.29 0.1 1 621 393 83 GLY N N 107.99 0.1 1 622 394 84 SER H H 7.99 0.03 1 623 394 84 SER HA H 4.45 0.03 1 624 394 84 SER HB2 H 3.94 0.03 2 625 394 84 SER HB3 H 3.94 0.03 2 626 394 84 SER C C 175.28 0.1 1 627 394 84 SER CA C 58.38 0.1 1 628 394 84 SER CB C 66.22 0.1 1 629 394 84 SER N N 110.90 0.1 1 630 395 85 GLY H H 7.80 0.03 1 631 395 85 GLY HA2 H 3.99 0.03 2 632 395 85 GLY HA3 H 3.99 0.03 2 633 395 85 GLY C C 175.36 0.1 1 634 395 85 GLY CA C 46.76 0.1 1 635 395 85 GLY N N 112.27 0.1 1 636 396 86 THR H H 8.33 0.03 1 637 396 86 THR HA H 4.63 0.03 1 638 396 86 THR HB H 4.34 0.03 1 639 396 86 THR HG2 H 1.02 0.03 1 640 396 86 THR C C 173.34 0.1 1 641 396 86 THR CA C 60.17 0.1 1 642 396 86 THR CB C 70.03 0.1 1 643 396 86 THR CG2 C 21.31 0.1 1 644 396 86 THR N N 111.61 0.1 1 645 397 87 SER H H 8.55 0.03 1 646 397 87 SER HA H 5.04 0.03 1 647 397 87 SER HB2 H 3.99 0.03 1 648 397 87 SER HB3 H 4.23 0.03 1 649 397 87 SER C C 174.09 0.1 1 650 397 87 SER CA C 56.11 0.1 1 651 397 87 SER CB C 64.18 0.1 1 652 397 87 SER N N 114.97 0.1 1 653 398 88 PRO HA H 4.52 0.03 1 654 398 88 PRO HD2 H 3.95 0.03 2 655 398 88 PRO HD3 H 3.88 0.03 2 656 398 88 PRO HG2 H 2.27 0.03 2 657 398 88 PRO HG3 H 1.76 0.03 2 658 398 88 PRO C C 177.97 0.1 1 659 398 88 PRO CA C 66.09 0.1 1 660 398 88 PRO CB C 31.91 0.1 1 661 398 88 PRO CD C 50.41 0.1 1 662 398 88 PRO CG C 28.42 0.1 1 663 399 89 GLN H H 8.44 0.03 1 664 399 89 GLN HA H 3.94 0.03 1 665 399 89 GLN HB2 H 1.99 0.03 2 666 399 89 GLN HB3 H 2.15 0.03 2 667 399 89 GLN HE21 H 7.63 0.03 1 668 399 89 GLN HE22 H 6.86 0.03 1 669 399 89 GLN HG2 H 2.41 0.03 1 670 399 89 GLN HG3 H 2.51 0.03 1 671 399 89 GLN C C 178.68 0.1 1 672 399 89 GLN CA C 59.60 0.1 1 673 399 89 GLN CB C 27.91 0.1 1 674 399 89 GLN CG C 33.71 0.1 1 675 399 89 GLN N N 115.47 0.1 1 676 399 89 GLN NE2 N 112.19 0.1 1 677 400 90 GLU H H 7.84 0.03 1 678 400 90 GLU HA H 4.14 0.03 1 679 400 90 GLU HB2 H 2.00 0.03 2 680 400 90 GLU HB3 H 2.41 0.03 2 681 400 90 GLU HG2 H 2.29 0.03 2 682 400 90 GLU HG3 H 2.29 0.03 2 683 400 90 GLU C C 178.58 0.1 1 684 400 90 GLU CA C 59.62 0.1 1 685 400 90 GLU CB C 30.03 0.1 1 686 400 90 GLU CG C 38.39 0.1 1 687 400 90 GLU N N 120.81 0.1 1 688 401 91 VAL H H 7.68 0.03 1 689 401 91 VAL HA H 3.59 0.03 1 690 401 91 VAL HB H 2.26 0.03 1 691 401 91 VAL HG1 H 0.82 0.03 2 692 401 91 VAL HG2 H 0.96 0.03 2 693 401 91 VAL C C 178.35 0.1 1 694 401 91 VAL CA C 66.91 0.1 1 695 401 91 VAL CB C 31.70 0.1 1 696 401 91 VAL CG1 C 21.61 0.1 2 697 401 91 VAL CG2 C 21.91 0.1 2 698 401 91 VAL N N 119.73 0.1 1 699 402 92 LYS H H 8.31 0.03 1 700 402 92 LYS HA H 3.82 0.03 1 701 402 92 LYS HB2 H 1.90 0.03 2 702 402 92 LYS HB3 H 1.90 0.03 2 703 402 92 LYS HD2 H 1.63 0.03 2 704 402 92 LYS HE2 H 2.88 0.03 2 705 402 92 LYS HG2 H 1.42 0.03 2 706 402 92 LYS C C 178.59 0.1 1 707 402 92 LYS CA C 60.30 0.1 1 708 402 92 LYS CB C 31.94 0.1 1 709 402 92 LYS CD C 29.53 0.1 1 710 402 92 LYS CE C 42.06 0.1 1 711 402 92 LYS CG C 26.28 0.1 1 712 402 92 LYS N N 118.44 0.1 1 713 403 93 GLU H H 8.07 0.03 1 714 403 93 GLU HA H 4.14 0.03 1 715 403 93 GLU HB2 H 2.33 0.03 1 716 403 93 GLU HB3 H 2.40 0.03 1 717 403 93 GLU HG2 H 2.62 0.03 2 718 403 93 GLU HG3 H 2.35 0.03 2 719 403 93 GLU C C 179.52 0.1 1 720 403 93 GLU CA C 59.94 0.1 1 721 403 93 GLU CB C 29.56 0.1 1 722 403 93 GLU CG C 36.71 0.1 1 723 403 93 GLU N N 120.72 0.1 1 724 404 94 LEU H H 7.34 0.03 1 725 404 94 LEU HA H 3.45 0.03 1 726 404 94 LEU HB2 H 2.02 0.03 2 727 404 94 LEU HB3 H 0.88 0.03 2 728 404 94 LEU HD1 H 0.41 0.03 2 729 404 94 LEU HD2 H 0.79 0.03 2 730 404 94 LEU HG H 1.18 0.03 1 731 404 94 LEU C C 178.22 0.1 1 732 404 94 LEU CA C 57.97 0.1 1 733 404 94 LEU CB C 39.75 0.1 1 734 404 94 LEU CD1 C 22.01 0.1 1 735 404 94 LEU CD2 C 26.59 0.1 1 736 404 94 LEU CG C 27.67 0.1 1 737 404 94 LEU N N 122.05 0.1 1 738 405 95 LEU H H 7.88 0.03 1 739 405 95 LEU HA H 4.03 0.03 1 740 405 95 LEU HB2 H 1.58 0.03 2 741 405 95 LEU HB3 H 1.99 0.03 2 742 405 95 LEU HD1 H 0.85 0.03 2 743 405 95 LEU HD2 H 0.77 0.03 2 744 405 95 LEU HG H 1.85 0.03 1 745 405 95 LEU C C 179.73 0.1 1 746 405 95 LEU CA C 58.17 0.1 1 747 405 95 LEU CB C 40.14 0.1 1 748 405 95 LEU CD1 C 25.27 0.1 1 749 405 95 LEU CD2 C 22.18 0.1 1 750 405 95 LEU CG C 26.94 0.1 1 751 405 95 LEU N N 119.00 0.1 1 752 406 96 ASN H H 8.78 0.03 1 753 406 96 ASN HA H 4.60 0.03 1 754 406 96 ASN HB2 H 2.94 0.03 2 755 406 96 ASN HB3 H 2.94 0.03 2 756 406 96 ASN HD21 H 7.76 0.03 1 757 406 96 ASN HD22 H 6.95 0.03 1 758 406 96 ASN C C 177.86 0.1 1 759 406 96 ASN CA C 56.14 0.1 1 760 406 96 ASN CB C 38.19 0.1 1 761 406 96 ASN N N 119.69 0.1 1 762 406 96 ASN ND2 N 112.73 0.1 1 763 407 97 TYR H H 8.48 0.03 1 764 407 97 TYR HA H 4.24 0.03 1 765 407 97 TYR HB2 H 3.34 0.03 1 766 407 97 TYR HB3 H 3.28 0.03 1 767 407 97 TYR HD1 H 6.95 0.03 3 768 407 97 TYR HD2 H 6.95 0.03 3 769 407 97 TYR HE1 H 6.91 0.03 3 770 407 97 TYR HE2 H 6.91 0.03 3 771 407 97 TYR C C 177.18 0.1 1 772 407 97 TYR CA C 62.02 0.1 1 773 407 97 TYR CB C 38.22 0.1 1 774 407 97 TYR CE1 C 119.30 0.1 3 775 407 97 TYR CE2 C 119.30 0.1 3 776 407 97 TYR N N 125.97 0.1 1 777 408 98 TYR H H 8.63 0.03 1 778 408 98 TYR HA H 3.98 0.03 1 779 408 98 TYR HB2 H 3.27 0.03 2 780 408 98 TYR HB3 H 3.07 0.03 2 781 408 98 TYR HD1 H 6.84 0.03 3 782 408 98 TYR HD2 H 6.84 0.03 3 783 408 98 TYR HE1 H 6.54 0.03 3 784 408 98 TYR HE2 H 6.54 0.03 3 785 408 98 TYR C C 175.81 0.1 1 786 408 98 TYR CA C 61.63 0.1 1 787 408 98 TYR CB C 38.06 0.1 1 788 408 98 TYR CE1 C 118.15 0.1 1 789 408 98 TYR CE2 C 118.15 0.1 1 790 408 98 TYR N N 119.22 0.1 1 791 409 99 LYS H H 8.15 0.03 1 792 409 99 LYS HA H 3.43 0.03 1 793 409 99 LYS HB2 H 1.94 0.03 2 794 409 99 LYS HB3 H 1.98 0.03 2 795 409 99 LYS HD2 H 1.72 0.03 1 796 409 99 LYS HD3 H 1.68 0.03 1 797 409 99 LYS HE2 H 2.98 0.03 2 798 409 99 LYS HE3 H 2.98 0.03 2 799 409 99 LYS HG2 H 1.41 0.03 1 800 409 99 LYS HG3 H 1.41 0.03 1 801 409 99 LYS C C 178.83 0.1 1 802 409 99 LYS CA C 60.10 0.1 1 803 409 99 LYS CB C 32.33 0.1 1 804 409 99 LYS CD C 29.60 0.1 1 805 409 99 LYS CE C 42.06 0.1 1 806 409 99 LYS CG C 25.42 0.1 1 807 409 99 LYS N N 119.63 0.1 1 808 410 100 THR H H 8.20 0.03 1 809 410 100 THR HA H 3.85 0.03 1 810 410 100 THR HB H 4.22 0.03 1 811 410 100 THR HG2 H 1.16 0.03 1 812 410 100 THR C C 176.73 0.1 1 813 410 100 THR CA C 66.76 0.1 1 814 410 100 THR CB C 68.70 0.1 1 815 410 100 THR CG2 C 21.63 0.1 1 816 410 100 THR N N 116.82 0.1 1 817 411 101 MET H H 8.29 0.03 1 818 411 101 MET HA H 4.07 0.03 1 819 411 101 MET HB2 H 1.65 0.03 1 820 411 101 MET HB3 H 1.93 0.03 1 821 411 101 MET CA C 57.24 0.1 1 822 411 101 MET CB C 31.51 0.1 1 823 411 101 MET CG C 33.13 0.1 1 824 411 101 MET N N 121.29 0.1 1 825 412 102 LYS H H 8.56 0.03 1 826 412 102 LYS HA H 3.30 0.03 1 827 412 102 LYS HB2 H 1.36 0.03 1 828 412 102 LYS HB3 H 1.60 0.03 1 829 412 102 LYS HE2 H 2.96 0.03 2 830 412 102 LYS HE3 H 3.00 0.03 2 831 412 102 LYS HG2 H 1.23 0.03 2 832 412 102 LYS HG3 H 1.23 0.03 2 833 412 102 LYS C C 178.79 0.1 1 834 412 102 LYS CA C 59.69 0.1 1 835 412 102 LYS CB C 32.02 0.1 1 836 412 102 LYS CD C 29.67 0.1 1 837 412 102 LYS CE C 42.14 0.1 1 838 412 102 LYS CG C 24.84 0.1 1 839 412 102 LYS N N 120.47 0.1 1 840 413 103 ASN H H 7.64 0.03 1 841 413 103 ASN HA H 4.40 0.03 1 842 413 103 ASN HB2 H 2.76 0.03 1 843 413 103 ASN HB3 H 2.85 0.03 1 844 413 103 ASN HD21 H 7.64 0.03 1 845 413 103 ASN HD22 H 6.95 0.03 1 846 413 103 ASN C C 177.80 0.1 1 847 413 103 ASN CA C 55.88 0.1 1 848 413 103 ASN CB C 38.29 0.1 1 849 413 103 ASN N N 116.95 0.1 1 850 413 103 ASN ND2 N 112.79 0.1 1 851 414 104 LEU H H 7.93 0.03 1 852 414 104 LEU HA H 4.00 0.03 1 853 414 104 LEU HB2 H 1.51 0.03 1 854 414 104 LEU HB3 H 1.74 0.03 1 855 414 104 LEU HD1 H 0.82 0.03 2 856 414 104 LEU HD2 H 0.79 0.03 2 857 414 104 LEU C C 178.98 0.1 1 858 414 104 LEU CA C 57.89 0.1 1 859 414 104 LEU CB C 41.95 0.1 1 860 414 104 LEU CD1 C 25.20 0.1 1 861 414 104 LEU CD2 C 24.05 0.1 1 862 414 104 LEU N N 121.90 0.1 1 863 415 105 MET H H 8.05 0.03 1 864 415 105 MET HA H 4.04 0.03 1 865 415 105 MET HB2 H 2.09 0.03 2 866 415 105 MET HB3 H 2.09 0.03 2 867 415 105 MET HG2 H 2.20 0.03 2 868 415 105 MET HG3 H 2.20 0.03 2 869 415 105 MET C C 178.44 0.1 1 870 415 105 MET CA C 57.62 0.1 1 871 415 105 MET CB C 31.64 0.1 1 872 415 105 MET CG C 32.12 0.1 1 873 415 105 MET N N 117.53 0.1 1 874 416 106 LYS H H 7.52 0.03 1 875 416 106 LYS HA H 4.03 0.03 1 876 416 106 LYS HB2 H 1.87 0.03 2 877 416 106 LYS HB3 H 1.87 0.03 2 878 416 106 LYS C C 178.29 0.1 1 879 416 106 LYS CA C 58.70 0.1 1 880 416 106 LYS CB C 32.55 0.1 1 881 416 106 LYS CD C 29.53 0.1 1 882 416 106 LYS CE C 42.14 0.1 1 883 416 106 LYS CG C 25.20 0.1 1 884 416 106 LYS N N 118.70 0.1 1 885 417 107 LYS H H 7.66 0.03 1 886 417 107 LYS HA H 4.13 0.03 1 887 417 107 LYS HB2 H 1.90 0.03 2 888 417 107 LYS HB3 H 1.90 0.03 2 889 417 107 LYS C C 177.63 0.1 1 890 417 107 LYS CA C 57.72 0.1 1 891 417 107 LYS CB C 32.70 0.1 1 892 417 107 LYS CD C 29.24 0.1 1 893 417 107 LYS CE C 42.14 0.1 1 894 417 107 LYS CG C 25.20 0.1 1 895 417 107 LYS N N 118.70 0.1 1 896 418 108 MET H H 7.83 0.03 1 897 418 108 MET HA H 4.29 0.03 1 898 418 108 MET HB2 H 2.06 0.03 2 899 418 108 MET HB3 H 2.02 0.03 2 900 418 108 MET C C 176.52 0.1 1 901 418 108 MET CA C 56.55 0.1 1 902 418 108 MET CB C 32.98 0.1 1 903 418 108 MET CG C 32.19 0.1 1 904 418 108 MET N N 118.30 0.1 1 905 419 109 LYS H H 7.95 0.03 1 906 419 109 LYS HA H 4.18 0.03 1 907 419 109 LYS HB2 H 1.84 0.03 2 908 419 109 LYS HB3 H 1.84 0.03 2 909 419 109 LYS C C 176.75 0.1 1 910 419 109 LYS CA C 56.97 0.1 1 911 419 109 LYS CB C 32.47 0.1 1 912 419 109 LYS CD C 29.24 0.1 1 913 419 109 LYS CE C 42.14 0.1 1 914 419 109 LYS CG C 24.99 0.1 1 915 419 109 LYS N N 120.53 0.1 1 916 420 110 LYS H H 8.09 0.03 1 917 420 110 LYS HA H 4.29 0.03 1 918 420 110 LYS C C 176.33 0.1 1 919 420 110 LYS CA C 56.53 0.1 1 920 420 110 LYS CB C 33.04 0.1 1 921 420 110 LYS CD C 29.02 0.1 1 922 420 110 LYS CE C 42.21 0.1 1 923 420 110 LYS CG C 24.84 0.1 1 924 420 110 LYS N N 121.01 0.1 1 925 421 111 ASN H H 8.27 0.03 1 926 421 111 ASN HA H 4.64 0.03 1 927 421 111 ASN HB2 H 2.74 0.03 1 928 421 111 ASN HB3 H 2.81 0.03 1 929 421 111 ASN HD21 H 7.58 0.03 1 930 421 111 ASN HD22 H 6.91 0.03 1 931 421 111 ASN C C 174.68 0.1 1 932 421 111 ASN CA C 53.42 0.1 1 933 421 111 ASN CB C 39.05 0.1 1 934 421 111 ASN N N 119.00 0.1 1 935 421 111 ASN ND2 N 112.81 0.1 1 936 422 112 LYS H H 8.07 0.03 1 937 422 112 LYS HA H 4.31 0.03 1 938 422 112 LYS C C 176.01 0.1 1 939 422 112 LYS CA C 56.09 0.1 1 940 422 112 LYS CB C 33.17 0.1 1 941 422 112 LYS CD C 29.09 0.1 1 942 422 112 LYS CE C 42.06 0.1 1 943 422 112 LYS CG C 24.63 0.1 1 944 422 112 LYS N N 120.73 0.1 1 945 423 113 LEU H H 8.23 0.03 1 946 423 113 LEU HA H 4.59 0.03 1 947 423 113 LEU HB2 H 1.52 0.03 1 948 423 113 LEU HB3 H 1.63 0.03 1 949 423 113 LEU HD1 H 0.94 0.03 2 950 423 113 LEU HD2 H 0.90 0.03 2 951 423 113 LEU HG H 1.65 0.03 1 952 423 113 LEU C C 175.39 0.1 1 953 423 113 LEU CA C 53.08 0.1 1 954 423 113 LEU CB C 41.89 0.1 1 955 423 113 LEU CD1 C 25.39 0.1 2 956 423 113 LEU CD2 C 23.50 0.1 2 957 423 113 LEU N N 124.52 0.1 1 958 424 114 PRO HA H 4.47 0.03 1 959 424 114 PRO HB2 H 2.19 0.03 2 960 424 114 PRO HB3 H 2.19 0.03 2 961 424 114 PRO HD2 H 3.79 0.03 1 962 424 114 PRO HD3 H 3.61 0.03 1 963 424 114 PRO HG2 H 1.99 0.03 2 964 424 114 PRO HG3 H 1.99 0.03 2 965 424 114 PRO C C 175.65 0.1 1 966 424 114 PRO CA C 63.31 0.1 1 967 424 114 PRO CB C 31.46 0.1 1 968 424 114 PRO CD C 50.49 0.1 1 969 424 114 PRO CG C 27.36 0.1 1 970 425 115 ILE H H 7.57 0.03 1 971 425 115 ILE HA H 4.05 0.03 1 972 425 115 ILE HB H 1.80 0.03 1 973 425 115 ILE HD1 H 0.85 0.03 1 974 425 115 ILE HG12 H 1.40 0.03 2 975 425 115 ILE HG13 H 1.10 0.03 2 976 425 115 ILE HG2 H 0.86 0.03 1 977 425 115 ILE C C 180.91 0.1 1 978 425 115 ILE CA C 62.87 0.1 1 979 425 115 ILE CB C 40.02 0.1 1 980 425 115 ILE CD1 C 13.79 0.1 1 981 425 115 ILE CG1 C 27.37 0.1 1 982 425 115 ILE CG2 C 18.39 0.1 1 983 425 115 ILE N N 124.58 0.1 1 stop_ save_