data_7009 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; First Ca2+ binding domain of the Na,Ca-exchanger (NCX1) ; _BMRB_accession_number 7009 _BMRB_flat_file_name bmr7009.str _Entry_type original _Submission_date 2006-02-28 _Accession_date 2006-02-28 _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 Hilge M. . . 2 Aelen J. . . 3 Vuister G. W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 716 "13C chemical shifts" 410 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-04-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 7008 'Ca-exchanger (NCX1)' stop_ _Original_release_date 2006-04-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Ca(2+) regulation in the na(+)/ca(2+) exchanger involves two markedly different ca(2+) sensors ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16600866 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hilge M. . . 2 Aelen J. . . 3 Vuister G. W. . stop_ _Journal_abbreviation 'Mol. Cell.' _Journal_volume 22 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15 _Page_last 25 _Year 2006 _Details . loop_ _Keyword beta-bulge beta-sandwich 'Ca2+ binding' cis-proline 'greek key' stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'Sodium/calcium exchanger 1' _Abbreviation_common 'Sodium/calcium exchanger 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sodium/calcium exchanger 1' $exchanger_1 'CALCIUM (II) ION' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_exchanger_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Sodium/calcium exchanger 1' _Abbreviation_common 'Sodium/calcium exchanger 1' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; MSHHHHHHVSKIFFEQGTYQ CLENCGTVALTIIRRGGDLT NTVFVDFRTEDGTANAGSDY EFTEGTVVFKPGETQKEIRV GIIDDDIFEEDENFLVHLSN VKVSSEASEDGILEANHVSA LACLGSPSTATVTIFDDDHA GIFTFEE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -8 MET 2 -7 SER 3 -6 HIS 4 -5 HIS 5 -4 HIS 6 -3 HIS 7 -2 HIS 8 -1 HIS 9 371 VAL 10 372 SER 11 373 LYS 12 374 ILE 13 375 PHE 14 376 PHE 15 377 GLU 16 378 GLN 17 379 GLY 18 380 THR 19 381 TYR 20 382 GLN 21 383 CYS 22 384 LEU 23 385 GLU 24 386 ASN 25 387 CYS 26 388 GLY 27 389 THR 28 390 VAL 29 391 ALA 30 392 LEU 31 393 THR 32 394 ILE 33 395 ILE 34 396 ARG 35 397 ARG 36 398 GLY 37 399 GLY 38 400 ASP 39 401 LEU 40 402 THR 41 403 ASN 42 404 THR 43 405 VAL 44 406 PHE 45 407 VAL 46 408 ASP 47 409 PHE 48 410 ARG 49 411 THR 50 412 GLU 51 413 ASP 52 414 GLY 53 415 THR 54 416 ALA 55 417 ASN 56 418 ALA 57 419 GLY 58 420 SER 59 421 ASP 60 422 TYR 61 423 GLU 62 424 PHE 63 425 THR 64 426 GLU 65 427 GLY 66 428 THR 67 429 VAL 68 430 VAL 69 431 PHE 70 432 LYS 71 433 PRO 72 434 GLY 73 435 GLU 74 436 THR 75 437 GLN 76 438 LYS 77 439 GLU 78 440 ILE 79 441 ARG 80 442 VAL 81 443 GLY 82 444 ILE 83 445 ILE 84 446 ASP 85 447 ASP 86 448 ASP 87 449 ILE 88 450 PHE 89 451 GLU 90 452 GLU 91 453 ASP 92 454 GLU 93 455 ASN 94 456 PHE 95 457 LEU 96 458 VAL 97 459 HIS 98 460 LEU 99 461 SER 100 462 ASN 101 463 VAL 102 464 LYS 103 465 VAL 104 466 SER 105 467 SER 106 468 GLU 107 469 ALA 108 470 SER 109 471 GLU 110 472 ASP 111 473 GLY 112 474 ILE 113 475 LEU 114 476 GLU 115 477 ALA 116 478 ASN 117 479 HIS 118 480 VAL 119 481 SER 120 482 ALA 121 483 LEU 122 484 ALA 123 485 CYS 124 486 LEU 125 487 GLY 126 488 SER 127 489 PRO 128 490 SER 129 491 THR 130 492 ALA 131 493 THR 132 494 VAL 133 495 THR 134 496 ILE 135 497 PHE 136 498 ASP 137 499 ASP 138 500 ASP 139 501 HIS 140 502 ALA 141 503 GLY 142 504 ILE 143 505 PHE 144 506 THR 145 507 PHE 146 508 GLU 147 509 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 15764 CBD1 100.00 147 100.00 100.00 8.36e-101 PDB 2DPK "The Crystal Structure Of The Primary Ca2+ Sensor Of The Na+CA2+ EXCHANGER" 101.36 152 97.99 97.99 2.07e-97 PDB 2FWS "First Ca2+ Binding Domain Of The Na,Ca-Exchanger (Ncx1)" 94.56 139 100.00 100.00 1.15e-93 DBJ BAF84385 "unnamed protein product [Homo sapiens]" 94.56 937 98.56 99.28 1.54e-85 EMBL CAH91585 "hypothetical protein [Pongo abelii]" 94.56 937 99.28 99.28 3.66e-86 GB AAA97928 "renal Na/Ca exchanger NACA-2 [Oryctolagus cuniculus]" 94.56 941 97.12 97.84 1.77e-84 GB AAB40148 "Na/Ca exchanger [Felis catus]" 94.56 600 98.56 99.28 2.23e-88 GB AAD04173 "sodium-calcium exchanger isoform NCX1.3 [Macaca mulatta]" 94.56 934 99.28 99.28 2.93e-86 GB AAD04174 "sodium-calcium exchanger circular exon 2 transcript [Macaca mulatta]" 94.56 602 99.28 99.28 8.84e-89 GB AAD17213 "sodium/calcium exchanger 1 splice variant NaCa10 [Homo sapiens]" 58.50 215 97.67 98.84 6.75e-49 REF NP_001028033 "sodium/calcium exchanger 1 precursor [Macaca mulatta]" 94.56 934 99.28 99.28 2.93e-86 REF NP_001106272 "sodium/calcium exchanger 1 isoform C precursor [Homo sapiens]" 94.56 960 98.56 99.28 1.77e-85 REF NP_001106273 "sodium/calcium exchanger 1 isoform D precursor [Homo sapiens]" 94.56 937 98.56 99.28 1.54e-85 REF NP_001125933 "sodium/calcium exchanger 1 precursor [Pongo abelii]" 94.56 937 99.28 99.28 3.66e-86 REF NP_001164429 "sodium/calcium exchanger 1 precursor [Oryctolagus cuniculus]" 94.56 941 97.12 97.84 1.77e-84 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $exchanger_1 dog 9615 Eukaryota Metazoa Canis familiaris 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 $exchanger_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $exchanger_1 . mM 0.5 1.0 '[U-13C; U-15N]' HEPES 20 mM . . . 'beta-Mercaptoethanol buffer' 20 mM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task 'data analysis' stop_ _Details 'Bartels, C.' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Task 'structure solution' stop_ _Details 'Guentert, P.' save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 'NIH version 2.9.7' loop_ _Task refinement stop_ _Details 'Clore, G.M.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C_separated_aliphatic_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C separated aliphatic NOESY' _Sample_label $sample_1 save_ save_3D_13C_separated_aromatic_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C separated aromatic NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C separated aliphatic NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C separated aromatic NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7.0 . pH pressure 1 . atm temperature 306 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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_citation_label _Correction_value_citation_label . C 13 . ppm . . . . . . $entry_citation $entry_citation . H 1 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Sodium/calcium exchanger 1' _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 1 371 9 VAL HA H 4.060 0.000 . 2 371 9 VAL HB H 2.057 0.000 . 3 371 9 VAL HG1 H 0.916 0.000 . 4 371 9 VAL CA C 62.885 0.000 . 5 371 9 VAL CB C 32.514 0.000 . 6 371 9 VAL CG1 C 21.214 0.000 . 7 372 10 SER HA H 4.456 0.000 . 8 372 10 SER HB2 H 3.394 0.000 . 9 372 10 SER HB3 H 3.548 0.000 . 10 372 10 SER CA C 58.118 0.000 . 11 372 10 SER CB C 64.474 0.000 . 12 373 11 LYS H H 8.668 0.000 . 13 373 11 LYS HA H 5.285 0.001 . 14 373 11 LYS HB2 H 1.518 0.000 . 15 373 11 LYS HB3 H 1.915 0.001 . 16 373 11 LYS HG2 H 1.270 0.000 . 17 373 11 LYS HG3 H 1.473 0.000 . 18 373 11 LYS HD2 H 1.455 0.000 . 19 373 11 LYS HD3 H 1.555 0.000 . 20 373 11 LYS HE2 H 2.750 0.000 . 21 373 11 LYS HE3 H 2.823 0.000 . 22 373 11 LYS CA C 54.410 0.000 . 23 373 11 LYS CB C 35.163 0.000 . 24 373 11 LYS CG C 25.668 0.000 . 25 373 11 LYS CD C 29.225 0.000 . 26 373 11 LYS CE C 42.424 0.000 . 27 373 11 LYS N N 123.433 0.000 . 28 374 12 ILE H H 7.943 0.000 . 29 374 12 ILE HA H 5.212 0.000 . 30 374 12 ILE HB H 1.620 0.000 . 31 374 12 ILE HG12 H 0.887 0.000 . 32 374 12 ILE HG13 H 1.086 0.000 . 33 374 12 ILE HG2 H 0.566 0.000 . 34 374 12 ILE HD1 H 0.239 0.000 . 35 374 12 ILE CA C 57.765 0.000 . 36 374 12 ILE CB C 38.766 0.000 . 37 374 12 ILE CG1 C 27.955 0.000 . 38 374 12 ILE CG2 C 18.741 0.000 . 39 374 12 ILE CD1 C 12.208 0.000 . 40 374 12 ILE N N 121.268 0.000 . 41 375 13 PHE H H 8.082 0.000 . 42 375 13 PHE HA H 4.499 0.001 . 43 375 13 PHE HB2 H 2.704 0.000 . 44 375 13 PHE HB3 H 2.740 0.000 . 45 375 13 PHE HD1 H 6.864 0.000 . 46 375 13 PHE HD2 H 6.864 0.000 . 47 375 13 PHE HE1 H 7.085 0.000 . 48 375 13 PHE HE2 H 7.085 0.000 . 49 375 13 PHE HZ H 6.983 0.000 . 50 375 13 PHE CA C 55.646 0.000 . 51 375 13 PHE CB C 38.871 0.000 . 52 375 13 PHE CD1 C 133.286 0.000 . 53 375 13 PHE CE1 C 130.256 0.000 . 54 375 13 PHE CZ C 128.858 0.000 . 55 375 13 PHE N N 121.698 0.000 . 56 376 14 PHE H H 8.544 0.000 . 57 376 14 PHE HA H 4.972 0.000 . 58 376 14 PHE HB2 H 2.675 0.000 . 59 376 14 PHE HB3 H 3.664 0.000 . 60 376 14 PHE HD1 H 7.043 0.000 . 61 376 14 PHE HD2 H 7.043 0.000 . 62 376 14 PHE CA C 59.730 0.000 . 63 376 14 PHE CB C 41.550 0.000 . 64 376 14 PHE N N 117.021 0.000 . 65 377 15 GLU H H 8.830 0.000 . 66 377 15 GLU HA H 3.826 0.000 . 67 377 15 GLU HB2 H 1.810 0.000 . 68 377 15 GLU HB3 H 2.184 0.000 . 69 377 15 GLU HG2 H 2.273 0.000 . 70 377 15 GLU HG3 H 2.404 0.000 . 71 377 15 GLU CA C 59.433 0.000 . 72 377 15 GLU CB C 30.925 0.000 . 73 377 15 GLU CG C 36.915 0.000 . 74 377 15 GLU N N 119.867 0.000 . 75 378 16 GLN H H 7.393 0.000 . 76 378 16 GLN HA H 4.596 0.000 . 77 378 16 GLN HB2 H 1.321 0.000 . 78 378 16 GLN HB3 H 1.969 0.000 . 79 378 16 GLN HG2 H 1.943 0.000 . 80 378 16 GLN HG3 H 2.126 0.000 . 81 378 16 GLN HE21 H 6.710 0.000 . 82 378 16 GLN HE22 H 7.086 0.000 . 83 378 16 GLN CA C 53.270 0.000 . 84 378 16 GLN CB C 31.631 0.000 . 85 378 16 GLN CG C 32.867 0.000 . 86 378 16 GLN N N 109.742 0.000 . 87 378 16 GLN NE2 N 112.445 0.000 . 88 379 17 GLY H H 8.408 0.000 . 89 379 17 GLY HA2 H 3.847 0.000 . 90 379 17 GLY HA3 H 4.075 0.000 . 91 379 17 GLY CA C 45.228 0.000 . 92 379 17 GLY N N 102.613 0.000 . 93 380 18 THR H H 7.131 0.000 . 94 380 18 THR HA H 5.217 0.000 . 95 380 18 THR HB H 3.958 0.000 . 96 380 18 THR HG2 H 1.040 0.000 . 97 380 18 THR CA C 59.438 0.000 . 98 380 18 THR CB C 71.537 0.000 . 99 380 18 THR CG2 C 21.743 0.000 . 100 380 18 THR N N 110.875 0.000 . 101 381 19 TYR H H 8.587 0.000 . 102 381 19 TYR HA H 4.537 0.000 . 103 381 19 TYR HB2 H 2.253 0.000 . 104 381 19 TYR HB3 H 2.698 0.000 . 105 381 19 TYR HD1 H 6.757 0.000 . 106 381 19 TYR HD2 H 6.757 0.000 . 107 381 19 TYR HE1 H 6.807 0.000 . 108 381 19 TYR HE2 H 6.807 0.000 . 109 381 19 TYR CA C 57.408 0.000 . 110 381 19 TYR CB C 43.285 0.000 . 111 381 19 TYR CD1 C 132.820 0.000 . 112 381 19 TYR CE1 C 119.302 0.000 . 113 381 19 TYR N N 121.216 0.000 . 114 382 20 GLN H H 8.618 0.000 . 115 382 20 GLN HA H 5.408 0.000 . 116 382 20 GLN HB2 H 1.924 0.000 . 117 382 20 GLN HB3 H 1.978 0.000 . 118 382 20 GLN HG2 H 2.244 0.000 . 119 382 20 GLN HG3 H 2.244 0.000 . 120 382 20 GLN CA C 54.228 0.000 . 121 382 20 GLN CB C 31.861 0.000 . 122 382 20 GLN CG C 33.800 0.000 . 123 382 20 GLN N N 118.132 0.000 . 124 383 21 CYS H H 8.742 0.000 . 125 383 21 CYS HA H 5.036 0.000 . 126 383 21 CYS HB2 H 2.954 0.000 . 127 383 21 CYS HB3 H 3.379 0.000 . 128 383 21 CYS CA C 55.469 0.000 . 129 383 21 CYS CB C 32.919 0.000 . 130 383 21 CYS N N 116.011 0.000 . 131 384 22 LEU H H 8.492 0.000 . 132 384 22 LEU HA H 5.116 0.000 . 133 384 22 LEU HB2 H 1.678 0.000 . 134 384 22 LEU HB3 H 1.678 0.000 . 135 384 22 LEU HG H 1.757 0.001 . 136 384 22 LEU HD1 H 0.987 0.000 . 137 384 22 LEU HD2 H 0.982 0.000 . 138 384 22 LEU CA C 53.880 0.000 . 139 384 22 LEU CB C 44.875 0.000 . 140 384 22 LEU CG C 28.277 0.000 . 141 384 22 LEU CD1 C 24.905 0.000 . 142 384 22 LEU CD2 C 24.215 0.000 . 143 384 22 LEU N N 121.505 0.000 . 144 385 23 GLU H H 8.089 0.000 . 145 385 23 GLU HA H 3.578 0.000 . 146 385 23 GLU HB2 H 2.006 0.000 . 147 385 23 GLU HB3 H 2.239 0.000 . 148 385 23 GLU HG2 H 2.667 0.000 . 149 385 23 GLU HG3 H 3.064 0.000 . 150 385 23 GLU CA C 59.001 0.000 . 151 385 23 GLU CB C 30.395 0.000 . 152 385 23 GLU CG C 37.861 0.000 . 153 385 23 GLU N N 119.288 0.000 . 154 386 24 ASN H H 7.159 0.000 . 155 386 24 ASN HA H 4.353 0.000 . 156 386 24 ASN HB2 H 2.784 0.000 . 157 386 24 ASN HB3 H 3.148 0.000 . 158 386 24 ASN HD21 H 6.594 0.000 . 159 386 24 ASN HD22 H 7.510 0.000 . 160 386 24 ASN CA C 52.467 0.000 . 161 386 24 ASN CB C 37.859 0.000 . 162 386 24 ASN N N 110.806 0.000 . 163 386 24 ASN ND2 N 110.709 0.000 . 164 387 25 CYS H H 7.511 0.000 . 165 387 25 CYS HA H 4.324 0.000 . 166 387 25 CYS HB2 H 3.195 0.000 . 167 387 25 CYS HB3 H 3.239 0.000 . 168 387 25 CYS CA C 59.688 0.000 . 169 387 25 CYS CB C 30.042 0.000 . 170 387 25 CYS N N 115.094 0.000 . 171 388 26 GLY H H 9.261 0.000 . 172 388 26 GLY HA2 H 3.414 0.000 . 173 388 26 GLY HA3 H 4.610 0.000 . 174 388 26 GLY CA C 46.817 0.000 . 175 388 26 GLY N N 117.168 0.000 . 176 389 27 THR H H 7.818 0.000 . 177 389 27 THR HA H 5.085 0.000 . 178 389 27 THR HB H 3.693 0.000 . 179 389 27 THR HG2 H 1.071 0.000 . 180 389 27 THR CA C 59.700 0.000 . 181 389 27 THR CB C 73.479 0.000 . 182 389 27 THR CG2 C 21.872 0.000 . 183 389 27 THR N N 113.794 0.000 . 184 390 28 VAL H H 8.661 0.000 . 185 390 28 VAL HA H 4.536 0.000 . 186 390 28 VAL HB H 1.935 0.000 . 187 390 28 VAL HG1 H 0.850 0.000 . 188 390 28 VAL HG2 H 0.756 0.000 . 189 390 28 VAL CA C 58.824 0.000 . 190 390 28 VAL CB C 34.805 0.000 . 191 390 28 VAL CG1 C 19.448 0.000 . 192 390 28 VAL CG2 C 21.607 0.000 . 193 390 28 VAL N N 121.375 0.000 . 194 391 29 ALA H H 7.972 0.000 . 195 391 29 ALA HA H 5.181 0.000 . 196 391 29 ALA HB H 1.078 0.000 . 197 391 29 ALA CA C 50.045 0.000 . 198 391 29 ALA CB C 20.594 0.000 . 199 391 29 ALA N N 129.066 0.000 . 200 392 30 LEU H H 8.654 0.000 . 201 392 30 LEU HA H 3.928 0.000 . 202 392 30 LEU HB2 H 0.973 0.000 . 203 392 30 LEU HB3 H 1.109 0.000 . 204 392 30 LEU HG H 0.257 0.000 . 205 392 30 LEU HD1 H 0.283 0.000 . 206 392 30 LEU HD2 H -0.131 0.000 . 207 392 30 LEU CA C 55.469 0.000 . 208 392 30 LEU CB C 43.815 0.000 . 209 392 30 LEU CG C 28.465 0.000 . 210 392 30 LEU CD1 C 24.918 0.000 . 211 392 30 LEU CD2 C 28.443 0.000 . 212 392 30 LEU N N 121.987 0.000 . 213 393 31 THR H H 7.423 0.000 . 214 393 31 THR HA H 4.990 0.000 . 215 393 31 THR HB H 4.074 0.000 . 216 393 31 THR HG2 H 1.071 0.000 . 217 393 31 THR CA C 62.532 0.000 . 218 393 31 THR CB C 70.548 0.000 . 219 393 31 THR CG2 C 22.115 0.000 . 220 393 31 THR N N 115.818 0.000 . 221 394 32 ILE H H 9.254 0.000 . 222 394 32 ILE HA H 4.207 0.000 . 223 394 32 ILE HB H 1.378 0.000 . 224 394 32 ILE HG12 H 0.389 0.000 . 225 394 32 ILE HG13 H 1.316 0.000 . 226 394 32 ILE HG2 H 0.536 0.000 . 227 394 32 ILE HD1 H 0.398 0.000 . 228 394 32 ILE CA C 60.448 0.000 . 229 394 32 ILE CB C 40.141 0.000 . 230 394 32 ILE CG1 C 27.570 0.000 . 231 394 32 ILE CG2 C 19.448 0.000 . 232 394 32 ILE CD1 C 15.265 0.000 . 233 394 32 ILE N N 128.156 0.000 . 234 395 33 ILE H H 9.000 0.000 . 235 395 33 ILE HA H 4.844 0.000 . 236 395 33 ILE HB H 0.799 0.000 . 237 395 33 ILE HG12 H 0.997 0.000 . 238 395 33 ILE HG13 H 1.034 0.000 . 239 395 33 ILE HG2 H 0.609 0.000 . 240 395 33 ILE HD1 H 0.711 0.000 . 241 395 33 ILE CA C 57.411 0.000 . 242 395 33 ILE CB C 39.048 0.000 . 243 395 33 ILE CG1 C 26.511 0.000 . 244 395 33 ILE CG2 C 18.918 0.000 . 245 395 33 ILE CD1 C 11.502 0.000 . 246 395 33 ILE N N 126.807 0.000 . 247 396 34 ARG H H 7.804 0.000 . 248 396 34 ARG HA H 4.734 0.000 . 249 396 34 ARG HB2 H -0.094 0.004 . 250 396 34 ARG HB3 H 1.072 0.000 . 251 396 34 ARG HG2 H 0.889 0.000 . 252 396 34 ARG HG3 H 1.029 0.000 . 253 396 34 ARG HD2 H 2.280 0.000 . 254 396 34 ARG HD3 H 3.005 0.000 . 255 396 34 ARG CA C 53.851 0.000 . 256 396 34 ARG CB C 32.779 0.000 . 257 396 34 ARG CG C 26.180 0.000 . 258 396 34 ARG CD C 43.815 0.000 . 259 396 34 ARG N N 122.566 0.000 . 260 397 35 ARG H H 8.866 0.000 . 261 397 35 ARG HA H 4.649 0.000 . 262 397 35 ARG HB2 H 1.746 0.000 . 263 397 35 ARG HB3 H 1.894 0.001 . 264 397 35 ARG HG2 H 1.666 0.000 . 265 397 35 ARG HG3 H 1.732 0.000 . 266 397 35 ARG HD2 H 3.276 0.000 . 267 397 35 ARG HD3 H 3.379 0.000 . 268 397 35 ARG CB C 34.818 0.000 . 269 397 35 ARG CG C 27.041 0.000 . 270 397 35 ARG CD C 43.698 0.000 . 271 397 35 ARG N N 125.939 0.000 . 272 398 36 GLY H H 8.808 0.000 . 273 398 36 GLY HA2 H 3.768 0.000 . 274 398 36 GLY HA3 H 4.447 0.001 . 275 398 36 GLY CA C 43.947 0.001 . 276 398 36 GLY N N 115.336 0.000 . 277 399 37 GLY H H 8.060 0.000 . 278 399 37 GLY HA2 H 3.334 0.000 . 279 399 37 GLY HA3 H 3.693 0.000 . 280 399 37 GLY CA C 45.404 0.000 . 281 399 37 GLY N N 105.596 0.000 . 282 400 38 ASP H H 8.661 0.000 . 283 400 38 ASP HA H 4.836 0.000 . 284 400 38 ASP HB2 H 2.997 0.000 . 285 400 38 ASP HB3 H 3.334 0.000 . 286 400 38 ASP CA C 53.880 0.000 . 287 400 38 ASP CB C 46.464 0.000 . 288 400 38 ASP N N 121.023 0.000 . 289 401 39 LEU H H 8.830 0.000 . 290 401 39 LEU HA H 4.651 0.000 . 291 401 39 LEU HB2 H 1.701 0.000 . 292 401 39 LEU HB3 H 1.862 0.000 . 293 401 39 LEU HD1 H 0.982 0.000 . 294 401 39 LEU HD2 H 0.748 0.000 . 295 401 39 LEU CA C 55.646 0.000 . 296 401 39 LEU CB C 42.579 0.000 . 297 401 39 LEU CD1 C 26.158 0.000 . 298 401 39 LEU CD2 C 24.745 0.000 . 299 402 40 THR H H 8.516 0.000 . 300 402 40 THR HA H 4.154 0.000 . 301 402 40 THR HB H 4.352 0.000 . 302 402 40 THR HG2 H 1.224 0.000 . 303 402 40 THR CA C 63.241 0.000 . 304 402 40 THR CB C 68.994 0.000 . 305 402 40 THR CG2 C 21.743 0.000 . 306 402 40 THR N N 110.613 0.000 . 307 403 41 ASN H H 6.976 0.000 . 308 403 41 ASN HA H 4.791 0.000 . 309 403 41 ASN HB2 H 2.536 0.000 . 310 403 41 ASN HB3 H 2.603 0.000 . 311 403 41 ASN CA C 52.581 0.000 . 312 403 41 ASN CB C 39.636 0.000 . 313 403 41 ASN N N 117.264 0.000 . 314 404 42 THR H H 8.368 0.000 . 315 404 42 THR HA H 4.990 0.000 . 316 404 42 THR HB H 3.972 0.000 . 317 404 42 THR HG2 H 0.754 0.001 . 318 404 42 THR CA C 62.483 0.000 . 319 404 42 THR CB C 69.616 0.000 . 320 404 42 THR CG2 C 21.567 0.000 . 321 404 42 THR N N 119.481 0.000 . 322 405 43 VAL H H 8.486 0.000 . 323 405 43 VAL HA H 4.844 0.000 . 324 405 43 VAL HB H 1.591 0.000 . 325 405 43 VAL HG1 H 0.719 0.000 . 326 405 43 VAL HG2 H 0.726 0.000 . 327 405 43 VAL CA C 60.451 0.000 . 328 405 43 VAL CB C 35.893 0.000 . 329 405 43 VAL CG1 C 21.920 0.000 . 330 405 43 VAL CG2 C 23.389 0.000 . 331 405 43 VAL N N 125.843 0.000 . 332 406 44 PHE H H 9.262 0.000 . 333 406 44 PHE HA H 5.503 0.000 . 334 406 44 PHE HB2 H 2.851 0.000 . 335 406 44 PHE HB3 H 3.106 0.000 . 336 406 44 PHE HD1 H 7.027 0.000 . 337 406 44 PHE HD2 H 7.027 0.000 . 338 406 44 PHE HE1 H 7.184 0.000 . 339 406 44 PHE HE2 H 7.184 0.000 . 340 406 44 PHE CA C 55.469 0.000 . 341 406 44 PHE CB C 41.918 0.000 . 342 406 44 PHE CD1 C 131.887 0.000 . 343 406 44 PHE CE1 C 131.421 0.000 . 344 406 44 PHE N N 126.807 0.000 . 345 407 45 VAL H H 8.917 0.000 . 346 407 45 VAL HA H 4.530 0.000 . 347 407 45 VAL HB H 1.987 0.001 . 348 407 45 VAL HG1 H 0.953 0.000 . 349 407 45 VAL HG2 H 1.085 0.000 . 350 407 45 VAL CA C 61.465 0.000 . 351 407 45 VAL CB C 35.124 0.000 . 352 407 45 VAL CG1 C 20.209 0.000 . 353 407 45 VAL CG2 C 23.380 0.000 . 354 407 45 VAL N N 118.612 0.000 . 355 408 46 ASP H H 8.631 0.000 . 356 408 46 ASP HA H 5.796 0.000 . 357 408 46 ASP HB2 H 2.632 0.000 . 358 408 46 ASP HB3 H 2.784 0.000 . 359 408 46 ASP CA C 53.596 0.000 . 360 408 46 ASP CB C 41.918 0.000 . 361 408 46 ASP N N 127.867 0.000 . 362 409 47 PHE H H 8.566 0.000 . 363 409 47 PHE HA H 6.199 0.000 . 364 409 47 PHE HB2 H 2.668 0.000 . 365 409 47 PHE HB3 H 2.723 0.000 . 366 409 47 PHE HD1 H 6.699 0.000 . 367 409 47 PHE HD2 H 6.699 0.000 . 368 409 47 PHE HE1 H 6.947 0.000 . 369 409 47 PHE HE2 H 6.947 0.000 . 370 409 47 PHE HZ H 7.122 0.000 . 371 409 47 PHE CA C 55.116 0.000 . 372 409 47 PHE CB C 43.815 0.000 . 373 409 47 PHE CD1 C 131.654 0.000 . 374 409 47 PHE CE1 C 130.722 0.000 . 375 409 47 PHE CZ C 129.557 0.000 . 376 409 47 PHE N N 114.349 0.000 . 377 410 48 ARG H H 8.305 0.000 . 378 410 48 ARG HA H 5.161 0.000 . 379 410 48 ARG HB2 H 1.964 0.000 . 380 410 48 ARG HB3 H 2.015 0.000 . 381 410 48 ARG HG2 H 1.621 0.000 . 382 410 48 ARG HG3 H 2.124 0.000 . 383 410 48 ARG HD2 H 3.365 0.000 . 384 410 48 ARG HD3 H 3.365 0.000 . 385 410 48 ARG CA C 55.885 0.000 . 386 410 48 ARG CB C 33.800 0.000 . 387 410 48 ARG CG C 27.448 0.000 . 388 410 48 ARG CD C 43.815 0.000 . 389 410 48 ARG N N 117.168 0.000 . 390 411 49 THR H H 7.870 0.000 . 391 411 49 THR HA H 5.474 0.000 . 392 411 49 THR HB H 4.542 0.000 . 393 411 49 THR HG2 H 1.409 0.000 . 394 411 49 THR CA C 60.590 0.000 . 395 411 49 THR CB C 72.102 0.000 . 396 411 49 THR CG2 C 22.379 0.000 . 397 411 49 THR N N 113.119 0.000 . 398 412 50 GLU H H 9.124 0.000 . 399 412 50 GLU HA H 4.728 0.000 . 400 412 50 GLU HB2 H 2.008 0.000 . 401 412 50 GLU HB3 H 2.163 0.000 . 402 412 50 GLU HG2 H 2.573 0.000 . 403 412 50 GLU HG3 H 2.851 0.000 . 404 412 50 GLU CA C 56.136 0.000 . 405 412 50 GLU CB C 34.457 0.000 . 406 412 50 GLU CG C 36.399 0.000 . 407 412 50 GLU N N 121.409 0.000 . 408 413 51 ASP H H 8.970 0.000 . 409 413 51 ASP HA H 4.771 0.000 . 410 413 51 ASP HB2 H 2.917 0.000 . 411 413 51 ASP HB3 H 3.093 0.000 . 412 413 51 ASP CA C 56.882 0.000 . 413 413 51 ASP CB C 41.167 0.000 . 414 413 51 ASP N N 124.686 0.000 . 415 414 52 GLY H H 7.387 0.000 . 416 414 52 GLY HA2 H 3.804 0.000 . 417 414 52 GLY HA3 H 4.507 0.000 . 418 414 52 GLY CA C 46.479 0.012 . 419 414 52 GLY N N 110.324 0.000 . 420 415 53 THR H H 8.229 0.000 . 421 415 53 THR HA H 4.367 0.000 . 422 415 53 THR HB H 4.499 0.000 . 423 415 53 THR HG2 H 1.356 0.000 . 424 415 53 THR CA C 62.532 0.000 . 425 415 53 THR CB C 69.772 0.000 . 426 415 53 THR CG2 C 23.509 0.000 . 427 415 53 THR N N 118.517 0.000 . 428 416 54 ALA H H 9.203 0.000 . 429 416 54 ALA HA H 4.792 0.000 . 430 416 54 ALA HB H 1.341 0.000 . 431 416 54 ALA CA C 50.557 0.000 . 432 416 54 ALA CB C 20.088 0.000 . 433 416 54 ALA N N 124.108 0.000 . 434 417 55 ASN H H 9.943 0.000 . 435 417 55 ASN HA H 5.255 0.000 . 436 417 55 ASN HB2 H 2.463 0.000 . 437 417 55 ASN HB3 H 2.806 0.000 . 438 417 55 ASN HD21 H 6.909 0.000 . 439 417 55 ASN HD22 H 7.368 0.000 . 440 417 55 ASN CA C 52.644 0.000 . 441 417 55 ASN CB C 43.285 0.000 . 442 417 55 ASN N N 117.396 0.000 . 443 417 55 ASN ND2 N 109.553 0.000 . 444 418 56 ALA H H 10.061 0.000 . 445 418 56 ALA HA H 2.997 0.000 . 446 418 56 ALA HB H 1.238 0.000 . 447 418 56 ALA CA C 52.197 0.000 . 448 418 56 ALA CB C 17.682 0.000 . 449 418 56 ALA N N 134.169 0.000 . 450 419 57 GLY H H 8.727 0.000 . 451 419 57 GLY HA2 H 3.488 0.000 . 452 419 57 GLY HA3 H 4.346 0.000 . 453 419 57 GLY CA C 45.441 0.034 . 454 419 57 GLY N N 112.059 0.000 . 455 420 58 SER H H 7.276 0.000 . 456 420 58 SER HA H 4.587 0.000 . 457 420 58 SER HB2 H 3.724 0.000 . 458 420 58 SER HB3 H 3.724 0.000 . 459 420 58 SER CA C 59.189 0.000 . 460 420 58 SER CB C 64.651 0.000 . 461 420 58 SER N N 111.963 0.000 . 462 421 59 ASP H H 8.961 0.000 . 463 421 59 ASP HA H 5.496 0.000 . 464 421 59 ASP HB2 H 2.719 0.000 . 465 421 59 ASP HB3 H 2.748 0.000 . 466 421 59 ASP CA C 54.700 0.000 . 467 421 59 ASP CB C 44.521 0.000 . 468 421 59 ASP N N 116.878 0.000 . 469 422 60 TYR H H 7.320 0.000 . 470 422 60 TYR HA H 4.873 0.000 . 471 422 60 TYR HB2 H 2.267 0.000 . 472 422 60 TYR HB3 H 2.646 0.000 . 473 422 60 TYR HE1 H 6.435 0.000 . 474 422 60 TYR HE2 H 6.435 0.000 . 475 422 60 TYR CA C 55.883 0.000 . 476 422 60 TYR CB C 39.754 0.000 . 477 422 60 TYR CE1 C 118.137 0.000 . 478 422 60 TYR N N 117.071 0.000 . 479 423 61 GLU H H 8.647 0.000 . 480 423 61 GLU HA H 4.273 0.000 . 481 423 61 GLU HB2 H 1.817 0.000 . 482 423 61 GLU HB3 H 1.928 0.000 . 483 423 61 GLU HG2 H 2.074 0.000 . 484 423 61 GLU HG3 H 2.074 0.000 . 485 423 61 GLU CA C 54.939 0.000 . 486 423 61 GLU CB C 30.748 0.000 . 487 423 61 GLU CG C 35.869 0.000 . 488 423 61 GLU N N 122.777 0.000 . 489 424 62 PHE H H 8.939 0.000 . 490 424 62 PHE HA H 4.207 0.000 . 491 424 62 PHE HB2 H 2.821 0.000 . 492 424 62 PHE HB3 H 2.954 0.000 . 493 424 62 PHE HD1 H 7.225 0.000 . 494 424 62 PHE HD2 H 7.225 0.000 . 495 424 62 PHE HE1 H 7.335 0.000 . 496 424 62 PHE HE2 H 7.335 0.000 . 497 424 62 PHE CA C 60.060 0.000 . 498 424 62 PHE CB C 38.694 0.000 . 499 424 62 PHE CD1 C 131.887 0.000 . 500 424 62 PHE CE1 C 131.654 0.000 . 501 424 62 PHE N N 128.253 0.000 . 502 425 63 THR H H 7.620 0.000 . 503 425 63 THR HA H 4.416 0.000 . 504 425 63 THR HB H 3.928 0.000 . 505 425 63 THR HG2 H 1.385 0.000 . 506 425 63 THR CA C 62.237 0.000 . 507 425 63 THR CB C 71.361 0.000 . 508 425 63 THR CG2 C 20.860 0.000 . 509 425 63 THR N N 124.879 0.000 . 510 426 64 GLU H H 7.827 0.000 . 511 426 64 GLU HA H 4.558 0.000 . 512 426 64 GLU HB2 H 1.840 0.000 . 513 426 64 GLU HB3 H 2.040 0.000 . 514 426 64 GLU HG2 H 2.162 0.000 . 515 426 64 GLU HG3 H 2.046 0.000 . 516 426 64 GLU CA C 53.602 0.000 . 517 426 64 GLU CB C 32.774 0.000 . 518 426 64 GLU CG C 34.457 0.000 . 519 426 64 GLU N N 122.180 0.000 . 520 427 65 GLY H H 7.166 0.000 . 521 427 65 GLY HA2 H 3.701 0.000 . 522 427 65 GLY HA3 H 3.906 0.000 . 523 427 65 GLY CA C 45.699 0.011 . 524 427 65 GLY N N 107.900 0.000 . 525 428 66 THR H H 8.273 0.000 . 526 428 66 THR HA H 5.354 0.000 . 527 428 66 THR HB H 3.645 0.000 . 528 428 66 THR HG2 H 1.356 0.000 . 529 428 66 THR CA C 62.002 0.000 . 530 428 66 THR CB C 72.597 0.000 . 531 428 66 THR CG2 C 22.097 0.000 . 532 428 66 THR N N 117.264 0.000 . 533 429 67 VAL H H 9.907 0.000 . 534 429 67 VAL HA H 4.266 0.000 . 535 429 67 VAL HB H 1.796 0.000 . 536 429 67 VAL HG1 H 0.433 0.000 . 537 429 67 VAL HG2 H 0.718 0.000 . 538 429 67 VAL CA C 60.960 0.000 . 539 429 67 VAL CB C 33.798 0.000 . 540 429 67 VAL CG1 C 21.920 0.000 . 541 429 67 VAL CG2 C 21.743 0.000 . 542 429 67 VAL N N 128.542 0.000 . 543 430 68 VAL H H 7.972 0.000 . 544 430 68 VAL HA H 4.581 0.000 . 545 430 68 VAL HB H 1.753 0.000 . 546 430 68 VAL HG1 H 0.458 0.000 . 547 430 68 VAL HG2 H 0.622 0.000 . 548 430 68 VAL CA C 60.198 0.000 . 549 430 68 VAL CB C 33.927 0.000 . 550 430 68 VAL CG1 C 20.591 0.000 . 551 430 68 VAL CG2 C 21.360 0.000 . 552 430 68 VAL N N 123.915 0.000 . 553 431 69 PHE H H 9.599 0.000 . 554 431 69 PHE HA H 4.433 0.000 . 555 431 69 PHE HB2 H 2.704 0.000 . 556 431 69 PHE HB3 H 2.939 0.000 . 557 431 69 PHE HD1 H 6.815 0.000 . 558 431 69 PHE HD2 H 6.815 0.000 . 559 431 69 PHE HE1 H 6.683 0.000 . 560 431 69 PHE HE2 H 6.683 0.000 . 561 431 69 PHE HZ H 6.639 0.000 . 562 431 69 PHE CA C 57.058 0.000 . 563 431 69 PHE CB C 38.871 0.000 . 564 431 69 PHE CD1 C 131.188 0.000 . 565 431 69 PHE CE1 C 130.955 0.000 . 566 431 69 PHE CZ C 128.158 0.000 . 567 431 69 PHE N N 126.421 0.000 . 568 432 70 LYS H H 8.830 0.000 . 569 432 70 LYS HA H 4.339 0.000 . 570 432 70 LYS HB2 H 1.400 0.000 . 571 432 70 LYS HB3 H 1.909 0.001 . 572 432 70 LYS HG2 H 1.349 0.000 . 573 432 70 LYS HG3 H 1.539 0.000 . 574 432 70 LYS HD2 H 1.635 0.000 . 575 432 70 LYS HD3 H 1.679 0.000 . 576 432 70 LYS HE2 H 2.946 0.000 . 577 432 70 LYS HE3 H 2.946 0.000 . 578 432 70 LYS CA C 55.125 0.000 . 579 432 70 LYS CB C 29.739 0.000 . 580 432 70 LYS CG C 25.924 0.000 . 581 432 70 LYS CD C 28.974 0.000 . 582 432 70 LYS CE C 42.115 0.000 . 583 432 70 LYS N N 123.529 0.000 . 584 433 71 PRO HA H 4.367 0.000 . 585 433 71 PRO HB2 H 1.773 0.000 . 586 433 71 PRO HB3 H 2.163 0.000 . 587 433 71 PRO HG2 H 1.810 0.000 . 588 433 71 PRO HG3 H 2.065 0.000 . 589 433 71 PRO HD2 H 3.468 0.000 . 590 433 71 PRO HD3 H 3.884 0.000 . 591 433 71 PRO CA C 65.028 0.000 . 592 433 71 PRO CB C 31.808 0.000 . 593 433 71 PRO CG C 28.306 0.000 . 594 433 71 PRO CD C 49.819 0.000 . 595 434 72 GLY H H 8.947 0.000 . 596 434 72 GLY HA2 H 3.459 0.000 . 597 434 72 GLY HA3 H 4.301 0.000 . 598 434 72 GLY CA C 45.557 0.024 . 599 434 72 GLY N N 111.770 0.000 . 600 435 73 GLU H H 8.302 0.000 . 601 435 73 GLU HA H 4.478 0.000 . 602 435 73 GLU HB2 H 1.986 0.000 . 603 435 73 GLU HB3 H 2.514 0.000 . 604 435 73 GLU HG2 H 2.213 0.000 . 605 435 73 GLU HG3 H 2.213 0.000 . 606 435 73 GLU CA C 58.167 0.000 . 607 435 73 GLU CB C 31.084 0.000 . 608 435 73 GLU CG C 37.856 0.000 . 609 435 73 GLU N N 119.095 0.000 . 610 436 74 THR HA H 4.719 0.000 . 611 436 74 THR HB H 4.733 0.000 . 612 436 74 THR HG2 H 1.224 0.000 . 613 436 74 THR CA C 61.978 0.000 . 614 436 74 THR CB C 71.361 0.000 . 615 436 74 THR CG2 C 22.375 0.000 . 616 437 75 GLN H H 7.796 0.000 . 617 437 75 GLN HA H 5.686 0.000 . 618 437 75 GLN HB2 H 1.869 0.000 . 619 437 75 GLN HB3 H 2.038 0.000 . 620 437 75 GLN HG2 H 2.243 0.000 . 621 437 75 GLN HG3 H 2.243 0.000 . 622 437 75 GLN HE21 H 6.800 0.000 . 623 437 75 GLN HE22 H 7.371 0.000 . 624 437 75 GLN CA C 55.376 0.000 . 625 437 75 GLN CB C 32.275 0.000 . 626 437 75 GLN CG C 33.397 0.000 . 627 437 75 GLN N N 119.334 0.000 . 628 437 75 GLN NE2 N 111.866 0.000 . 629 438 76 LYS H H 9.057 0.000 . 630 438 76 LYS HA H 4.484 0.000 . 631 438 76 LYS HB2 H 0.884 0.000 . 632 438 76 LYS HB3 H 1.248 0.000 . 633 438 76 LYS HG2 H 0.128 0.000 . 634 438 76 LYS HG3 H 0.440 0.000 . 635 438 76 LYS HD2 H 1.399 0.000 . 636 438 76 LYS HD3 H 1.458 0.000 . 637 438 76 LYS HE2 H 2.634 0.000 . 638 438 76 LYS HE3 H 2.785 0.000 . 639 438 76 LYS CA C 53.174 0.000 . 640 438 76 LYS CB C 35.570 0.000 . 641 438 76 LYS CG C 22.979 0.000 . 642 438 76 LYS CD C 26.685 0.000 . 643 438 76 LYS CE C 41.921 0.000 . 644 438 76 LYS N N 122.662 0.000 . 645 439 77 GLU H H 8.244 0.000 . 646 439 77 GLU HA H 5.189 0.000 . 647 439 77 GLU HB2 H 1.781 0.000 . 648 439 77 GLU HB3 H 1.855 0.000 . 649 439 77 GLU HG2 H 1.935 0.000 . 650 439 77 GLU HG3 H 2.052 0.000 . 651 439 77 GLU CA C 54.869 0.000 . 652 439 77 GLU CB C 33.287 0.000 . 653 439 77 GLU CG C 37.988 0.000 . 654 439 77 GLU N N 121.891 0.000 . 655 440 78 ILE H H 8.631 0.000 . 656 440 78 ILE HA H 4.344 0.000 . 657 440 78 ILE HB H 1.070 0.000 . 658 440 78 ILE HG12 H 0.323 0.000 . 659 440 78 ILE HG13 H 0.997 0.000 . 660 440 78 ILE HG2 H 0.059 0.000 . 661 440 78 ILE HD1 H 0.009 0.000 . 662 440 78 ILE CA C 59.530 0.000 . 663 440 78 ILE CB C 41.410 0.000 . 664 440 78 ILE CG1 C 25.930 0.000 . 665 440 78 ILE CG2 C 18.565 0.000 . 666 440 78 ILE CD1 C 13.744 0.000 . 667 440 78 ILE N N 119.192 0.000 . 668 441 79 ARG H H 7.964 0.000 . 669 441 79 ARG HA H 5.334 0.000 . 670 441 79 ARG HB2 H 1.364 0.000 . 671 441 79 ARG HB3 H 1.589 0.000 . 672 441 79 ARG HG2 H 1.239 0.000 . 673 441 79 ARG HG3 H 1.495 0.000 . 674 441 79 ARG HD2 H 3.013 0.000 . 675 441 79 ARG HD3 H 3.013 0.000 . 676 441 79 ARG CA C 54.233 0.000 . 677 441 79 ARG CB C 34.048 0.000 . 678 441 79 ARG CG C 28.209 0.000 . 679 441 79 ARG CD C 43.285 0.000 . 680 441 79 ARG N N 119.674 0.000 . 681 442 80 VAL H H 8.342 0.000 . 682 442 80 VAL HA H 4.317 0.000 . 683 442 80 VAL HB H 1.708 0.000 . 684 442 80 VAL HG1 H 1.070 0.000 . 685 442 80 VAL HG2 H 0.645 0.000 . 686 442 80 VAL CA C 60.766 0.000 . 687 442 80 VAL CB C 35.163 0.000 . 688 442 80 VAL CG1 C 21.214 0.000 . 689 442 80 VAL CG2 C 20.154 0.000 . 690 442 80 VAL N N 120.868 0.000 . 691 443 81 GLY H H 9.292 0.000 . 692 443 81 GLY HA2 H 3.590 0.001 . 693 443 81 GLY HA3 H 4.229 0.000 . 694 443 81 GLY CA C 46.111 0.000 . 695 443 81 GLY N N 114.951 0.000 . 696 444 82 ILE H H 8.229 0.000 . 697 444 82 ILE HA H 4.375 0.000 . 698 444 82 ILE HB H 1.877 0.000 . 699 444 82 ILE HG12 H 1.254 0.000 . 700 444 82 ILE HG13 H 1.648 0.000 . 701 444 82 ILE HG2 H 1.019 0.000 . 702 444 82 ILE HD1 H 0.688 0.000 . 703 444 82 ILE CA C 57.765 0.000 . 704 444 82 ILE CB C 37.350 0.000 . 705 444 82 ILE CG1 C 26.511 0.000 . 706 444 82 ILE CG2 C 17.548 0.000 . 707 444 82 ILE CD1 C 9.030 0.000 . 708 444 82 ILE N N 126.710 0.000 . 709 445 83 ILE H H 7.577 0.000 . 710 445 83 ILE HA H 3.898 0.000 . 711 445 83 ILE HB H 1.202 0.000 . 712 445 83 ILE HG12 H 0.799 0.000 . 713 445 83 ILE HG13 H 0.990 0.000 . 714 445 83 ILE HG2 H 0.667 0.000 . 715 445 83 ILE HD1 H 0.329 0.000 . 716 445 83 ILE CA C 61.718 0.000 . 717 445 83 ILE CB C 38.619 0.000 . 718 445 83 ILE CG1 C 27.570 0.000 . 719 445 83 ILE CG2 C 17.152 0.000 . 720 445 83 ILE CD1 C 12.561 0.000 . 721 445 83 ILE N N 130.759 0.000 . 722 446 84 ASP H H 8.669 0.000 . 723 446 84 ASP HA H 4.968 0.000 . 724 446 84 ASP HB2 H 2.677 0.000 . 725 446 84 ASP HB3 H 2.677 0.000 . 726 446 84 ASP CA C 52.644 0.000 . 727 446 84 ASP CB C 42.115 0.000 . 728 446 84 ASP N N 126.503 0.000 . 729 447 85 ASP H H 7.511 0.000 . 730 447 85 ASP HA H 4.696 0.000 . 731 447 85 ASP HB2 H 2.654 0.000 . 732 447 85 ASP HB3 H 3.072 0.000 . 733 447 85 ASP CB C 42.931 0.000 . 734 447 85 ASP N N 122.566 0.000 . 735 448 86 ASP H H 8.441 0.000 . 736 448 86 ASP HA H 5.063 0.000 . 737 448 86 ASP HB2 H 2.689 0.000 . 738 448 86 ASP HB3 H 2.689 0.000 . 739 448 86 ASP CA C 53.174 0.000 . 740 448 86 ASP CB C 40.813 0.000 . 741 448 86 ASP N N 118.903 0.000 . 742 449 87 ILE H H 7.935 0.000 . 743 449 87 ILE HA H 4.157 0.000 . 744 449 87 ILE HB H 1.725 0.000 . 745 449 87 ILE HG12 H 1.049 0.000 . 746 449 87 ILE HG13 H 1.487 0.000 . 747 449 87 ILE HG2 H 0.924 0.000 . 748 449 87 ILE HD1 H 0.800 0.000 . 749 449 87 ILE CA C 60.199 0.000 . 750 449 87 ILE CB C 39.894 0.000 . 751 449 87 ILE CG1 C 27.446 0.000 . 752 449 87 ILE CG2 C 17.329 0.000 . 753 449 87 ILE CD1 C 12.472 0.000 . 754 449 87 ILE N N 121.987 0.000 . 755 450 88 PHE H H 8.991 0.000 . 756 450 88 PHE HA H 4.726 0.000 . 757 450 88 PHE HB2 H 2.821 0.000 . 758 450 88 PHE HB3 H 3.123 0.000 . 759 450 88 PHE HD1 H 7.159 0.000 . 760 450 88 PHE HD2 H 7.159 0.000 . 761 450 88 PHE HE1 H 7.228 0.000 . 762 450 88 PHE HE2 H 7.228 0.000 . 763 450 88 PHE CA C 59.181 0.000 . 764 450 88 PHE CB C 38.518 0.000 . 765 450 88 PHE CD1 C 131.654 0.000 . 766 450 88 PHE CE1 C 131.654 0.000 . 767 450 88 PHE N N 131.337 0.000 . 768 451 89 GLU H H 7.188 0.000 . 769 451 89 GLU HA H 4.147 0.001 . 770 451 89 GLU HB2 H 1.378 0.000 . 771 451 89 GLU HB3 H 1.378 0.000 . 772 451 89 GLU HG2 H 2.023 0.000 . 773 451 89 GLU HG3 H 2.244 0.000 . 774 451 89 GLU CA C 54.410 0.000 . 775 451 89 GLU CB C 37.096 0.000 . 776 451 89 GLU CG C 37.105 0.000 . 777 451 89 GLU N N 129.506 0.000 . 778 452 90 GLU H H 7.958 0.000 . 779 452 90 GLU HA H 4.249 0.000 . 780 452 90 GLU HB2 H 1.811 0.000 . 781 452 90 GLU HB3 H 2.206 0.000 . 782 452 90 GLU HG2 H 2.257 0.000 . 783 452 90 GLU HG3 H 2.339 0.000 . 784 452 90 GLU CA C 55.374 0.000 . 785 452 90 GLU CB C 30.572 0.000 . 786 452 90 GLU CG C 36.399 0.000 . 787 452 90 GLU N N 116.397 0.000 . 788 453 91 ASP H H 8.411 0.000 . 789 453 91 ASP HA H 4.536 0.000 . 790 453 91 ASP HB2 H 2.258 0.000 . 791 453 91 ASP HB3 H 2.477 0.000 . 792 453 91 ASP CA C 55.999 0.000 . 793 453 91 ASP CB C 39.891 0.000 . 794 453 91 ASP N N 120.638 0.000 . 795 454 92 GLU H H 7.555 0.000 . 796 454 92 GLU HB2 H 1.364 0.000 . 797 454 92 GLU HB3 H 1.653 0.000 . 798 454 92 GLU N N 121.409 0.000 . 799 455 93 ASN H H 8.243 0.000 . 800 455 93 ASN HA H 6.193 0.001 . 801 455 93 ASN HB2 H 2.478 0.000 . 802 455 93 ASN HB3 H 2.573 0.000 . 803 455 93 ASN HD21 H 6.661 0.000 . 804 455 93 ASN HD22 H 7.176 0.000 . 805 455 93 ASN CA C 50.902 0.000 . 806 455 93 ASN CB C 42.935 0.000 . 807 455 93 ASN N N 114.276 0.000 . 808 455 93 ASN ND2 N 112.734 0.000 . 809 456 94 PHE H H 8.756 0.000 . 810 456 94 PHE HA H 4.859 0.000 . 811 456 94 PHE HB2 H 2.741 0.000 . 812 456 94 PHE HB3 H 3.283 0.000 . 813 456 94 PHE HD1 H 6.441 0.000 . 814 456 94 PHE HD2 H 6.375 0.000 . 815 456 94 PHE HE1 H 6.419 0.000 . 816 456 94 PHE HE2 H 5.840 0.000 . 817 456 94 PHE HZ H 6.382 0.000 . 818 456 94 PHE CA C 56.896 0.000 . 819 456 94 PHE CB C 41.160 0.000 . 820 456 94 PHE CD1 C 131.887 0.000 . 821 456 94 PHE CD2 C 133.985 0.000 . 822 456 94 PHE CE1 C 129.557 0.000 . 823 456 94 PHE CE2 C 130.955 0.000 . 824 456 94 PHE CZ C 127.459 0.000 . 825 456 94 PHE N N 117.116 0.000 . 826 457 95 LEU H H 9.072 0.000 . 827 457 95 LEU HA H 5.261 0.000 . 828 457 95 LEU HB2 H 0.866 0.000 . 829 457 95 LEU HB3 H 1.458 0.000 . 830 457 95 LEU HG H 1.488 0.000 . 831 457 95 LEU HD1 H 0.857 0.000 . 832 457 95 LEU HD2 H 0.722 0.000 . 833 457 95 LEU CA C 53.350 0.000 . 834 457 95 LEU CB C 45.581 0.000 . 835 457 95 LEU CG C 28.212 0.000 . 836 457 95 LEU CD1 C 25.420 0.000 . 837 457 95 LEU CD2 C 24.652 0.000 . 838 457 95 LEU N N 119.327 0.000 . 839 458 96 VAL H H 8.434 0.000 . 840 458 96 VAL HA H 4.584 0.000 . 841 458 96 VAL HB H 1.557 0.001 . 842 458 96 VAL HG1 H 0.917 0.000 . 843 458 96 VAL HG2 H 0.645 0.000 . 844 458 96 VAL CA C 61.465 0.000 . 845 458 96 VAL CB C 33.365 0.000 . 846 458 96 VAL CG1 C 22.375 0.000 . 847 458 96 VAL CG2 C 21.390 0.000 . 848 458 96 VAL N N 117.535 0.000 . 849 459 97 HIS H H 9.063 0.000 . 850 459 97 HIS HA H 5.664 0.000 . 851 459 97 HIS HB2 H 3.013 0.000 . 852 459 97 HIS HB3 H 3.151 0.000 . 853 459 97 HIS HD2 H 6.836 0.000 . 854 459 97 HIS HE1 H 7.913 0.000 . 855 459 97 HIS CA C 55.377 0.000 . 856 459 97 HIS CB C 34.633 0.000 . 857 459 97 HIS CD2 C 118.603 0.000 . 858 459 97 HIS CE1 C 139.346 0.000 . 859 459 97 HIS N N 123.931 0.000 . 860 460 98 LEU H H 8.807 0.000 . 861 460 98 LEU HA H 5.753 0.000 . 862 460 98 LEU HB2 H 1.226 0.000 . 863 460 98 LEU HB3 H 1.893 0.000 . 864 460 98 LEU HG H 0.954 0.000 . 865 460 98 LEU HD1 H 0.061 0.000 . 866 460 98 LEU HD2 H 0.470 0.000 . 867 460 98 LEU CA C 53.350 0.000 . 868 460 98 LEU CB C 43.951 0.000 . 869 460 98 LEU CG C 25.804 0.000 . 870 460 98 LEU CD1 C 25.275 0.000 . 871 460 98 LEU CD2 C 21.920 0.000 . 872 460 98 LEU N N 122.180 0.000 . 873 461 99 SER H H 8.947 0.000 . 874 461 99 SER HA H 4.565 0.000 . 875 461 99 SER HB2 H 3.847 0.000 . 876 461 99 SER HB3 H 3.891 0.000 . 877 461 99 SER CA C 58.169 0.000 . 878 461 99 SER CB C 65.887 0.000 . 879 461 99 SER N N 112.155 0.000 . 880 462 100 ASN H H 8.646 0.000 . 881 462 100 ASN HA H 4.289 0.000 . 882 462 100 ASN HB2 H 2.477 0.000 . 883 462 100 ASN HB3 H 3.127 0.000 . 884 462 100 ASN HD21 H 6.600 0.000 . 885 462 100 ASN HD22 H 7.800 0.000 . 886 462 100 ASN CA C 53.703 0.000 . 887 462 100 ASN CB C 37.605 0.000 . 888 462 100 ASN N N 115.722 0.000 . 889 462 100 ASN ND2 N 111.963 0.000 . 890 463 101 VAL H H 8.023 0.000 . 891 463 101 VAL HA H 4.740 0.005 . 892 463 101 VAL HB H 1.847 0.000 . 893 463 101 VAL HG1 H 0.623 0.000 . 894 463 101 VAL HG2 H 0.814 0.000 . 895 463 101 VAL CA C 63.239 0.000 . 896 463 101 VAL CB C 32.017 0.000 . 897 463 101 VAL CG1 C 22.119 0.000 . 898 463 101 VAL CG2 C 23.639 0.000 . 899 463 101 VAL N N 118.164 0.000 . 900 464 102 LYS H H 9.225 0.000 . 901 464 102 LYS HA H 4.807 0.000 . 902 464 102 LYS HB2 H 1.605 0.000 . 903 464 102 LYS HB3 H 1.775 0.000 . 904 464 102 LYS HG2 H 1.257 0.000 . 905 464 102 LYS HG3 H 1.342 0.000 . 906 464 102 LYS HD2 H 1.503 0.001 . 907 464 102 LYS HD3 H 1.503 0.001 . 908 464 102 LYS HE2 H 2.788 0.000 . 909 464 102 LYS HE3 H 2.788 0.000 . 910 464 102 LYS CA C 54.939 0.000 . 911 464 102 LYS CB C 36.929 0.000 . 912 464 102 LYS CG C 24.656 0.000 . 913 464 102 LYS CD C 29.220 0.000 . 914 464 102 LYS CE C 42.049 0.000 . 915 464 102 LYS N N 129.216 0.000 . 916 465 103 VAL H H 8.631 0.000 . 917 465 103 VAL HA H 5.020 0.001 . 918 465 103 VAL HB H 1.957 0.001 . 919 465 103 VAL HG1 H 0.931 0.000 . 920 465 103 VAL HG2 H 0.909 0.000 . 921 465 103 VAL CA C 60.766 0.000 . 922 465 103 VAL CB C 34.561 0.000 . 923 465 103 VAL CG1 C 21.610 0.000 . 924 465 103 VAL CG2 C 22.627 0.000 . 925 465 103 VAL N N 120.252 0.000 . 926 466 104 SER H H 8.852 0.000 . 927 466 104 SER HA H 4.719 0.000 . 928 466 104 SER HB2 H 3.825 0.000 . 929 466 104 SER HB3 H 3.825 0.000 . 930 466 104 SER CA C 57.765 0.000 . 931 466 104 SER CB C 64.651 0.000 . 932 466 104 SER N N 120.734 0.000 . 933 467 105 SER HA H 4.719 0.000 . 934 467 105 SER HB2 H 3.774 0.000 . 935 467 105 SER HB3 H 3.898 0.000 . 936 467 105 SER CA C 57.808 0.000 . 937 467 105 SER CB C 64.516 0.000 . 938 468 106 GLU H H 8.603 0.000 . 939 468 106 GLU HA H 4.324 0.000 . 940 468 106 GLU HB2 H 1.942 0.000 . 941 468 106 GLU HB3 H 2.097 0.000 . 942 468 106 GLU HG2 H 2.253 0.000 . 943 468 106 GLU HG3 H 2.253 0.000 . 944 468 106 GLU CA C 56.898 0.000 . 945 468 106 GLU CB C 30.496 0.000 . 946 468 106 GLU CG C 36.338 0.000 . 947 468 106 GLU N N 123.433 0.000 . 948 469 107 ALA H H 8.288 0.000 . 949 469 107 ALA HA H 4.367 0.000 . 950 469 107 ALA HB H 1.378 0.000 . 951 469 107 ALA CA C 52.467 0.000 . 952 469 107 ALA CB C 19.327 0.000 . 953 469 107 ALA N N 124.108 0.000 . 954 470 108 SER H H 8.119 0.000 . 955 470 108 SER HA H 4.470 0.000 . 956 470 108 SER HB2 H 3.855 0.000 . 957 470 108 SER HB3 H 3.950 0.000 . 958 470 108 SER CA C 58.294 0.000 . 959 470 108 SER CB C 64.121 0.000 . 960 470 108 SER N N 114.854 0.000 . 961 471 109 GLU H H 8.544 0.000 . 962 471 109 GLU HA H 4.272 0.000 . 963 471 109 GLU HB2 H 1.957 0.000 . 964 471 109 GLU HB3 H 2.096 0.000 . 965 471 109 GLU HG2 H 2.254 0.000 . 966 471 109 GLU HG3 H 2.254 0.000 . 967 471 109 GLU CA C 57.408 0.000 . 968 471 109 GLU CB C 30.219 0.000 . 969 471 109 GLU CG C 36.336 0.000 . 970 471 109 GLU N N 123.240 0.000 . 971 472 110 ASP H H 8.203 0.000 . 972 472 110 ASP HA H 4.587 0.000 . 973 472 110 ASP HB2 H 2.676 0.000 . 974 472 110 ASP HB3 H 2.676 0.000 . 975 472 110 ASP CA C 54.545 0.000 . 976 472 110 ASP CB C 41.156 0.000 . 977 472 110 ASP N N 119.385 0.000 . 978 473 111 GLY H H 8.113 0.000 . 979 473 111 GLY HA2 H 3.898 0.000 . 980 473 111 GLY HA3 H 3.957 0.000 . 981 473 111 GLY CA C 45.689 0.000 . 982 473 111 GLY N N 108.589 0.000 . 983 474 112 ILE H H 8.075 0.000 . 984 474 112 ILE HA H 4.126 0.000 . 985 474 112 ILE HB H 1.854 0.000 . 986 474 112 ILE HG12 H 1.107 0.000 . 987 474 112 ILE HG13 H 1.388 0.000 . 988 474 112 ILE HG2 H 0.850 0.000 . 989 474 112 ILE HD1 H 0.792 0.000 . 990 474 112 ILE CA C 61.215 0.000 . 991 474 112 ILE CB C 38.518 0.000 . 992 474 112 ILE CG1 C 27.450 0.000 . 993 474 112 ILE CG2 C 17.682 0.000 . 994 474 112 ILE CD1 C 12.724 0.000 . 995 474 112 ILE N N 120.156 0.000 . 996 475 113 LEU H H 8.309 0.000 . 997 475 113 LEU HA H 4.353 0.000 . 998 475 113 LEU HB2 H 1.531 0.000 . 999 475 113 LEU HB3 H 1.627 0.000 . 1000 475 113 LEU HG H 1.599 0.000 . 1001 475 113 LEU HD1 H 0.867 0.000 . 1002 475 113 LEU HD2 H 0.807 0.000 . 1003 475 113 LEU CA C 55.375 0.000 . 1004 475 113 LEU CB C 42.579 0.000 . 1005 475 113 LEU CG C 27.041 0.000 . 1006 475 113 LEU CD1 C 24.911 0.000 . 1007 475 113 LEU CD2 C 23.641 0.000 . 1008 475 113 LEU N N 126.325 0.000 . 1009 476 114 GLU H H 8.309 0.000 . 1010 476 114 GLU HA H 4.294 0.000 . 1011 476 114 GLU HB2 H 1.878 0.000 . 1012 476 114 GLU HB3 H 2.019 0.001 . 1013 476 114 GLU HG2 H 2.254 0.000 . 1014 476 114 GLU HG3 H 2.254 0.000 . 1015 476 114 GLU CA C 56.388 0.000 . 1016 476 114 GLU CB C 30.754 0.000 . 1017 476 114 GLU CG C 36.332 0.000 . 1018 476 114 GLU N N 121.794 0.000 . 1019 477 115 ALA H H 8.236 0.000 . 1020 477 115 ALA HA H 4.258 0.000 . 1021 477 115 ALA HB H 1.297 0.000 . 1022 477 115 ALA CA C 53.083 0.000 . 1023 477 115 ALA CB C 19.322 0.000 . 1024 477 115 ALA N N 124.397 0.000 . 1025 478 116 ASN HA H 4.719 0.000 . 1026 478 116 ASN HB2 H 2.707 0.000 . 1027 478 116 ASN HB3 H 2.707 0.000 . 1028 478 116 ASN CA C 53.174 0.000 . 1029 478 116 ASN CB C 39.224 0.000 . 1030 479 117 HIS HA H 4.510 0.000 . 1031 479 117 HIS HB2 H 2.950 0.000 . 1032 479 117 HIS HB3 H 2.950 0.000 . 1033 479 117 HIS CA C 56.254 0.000 . 1034 479 117 HIS CB C 31.005 0.000 . 1035 480 118 VAL H H 7.650 0.000 . 1036 480 118 VAL HA H 4.103 0.000 . 1037 480 118 VAL HB H 1.803 0.000 . 1038 480 118 VAL HG1 H 0.718 0.000 . 1039 480 118 VAL HG2 H 0.748 0.000 . 1040 480 118 VAL CA C 61.119 0.000 . 1041 480 118 VAL CB C 34.104 0.000 . 1042 480 118 VAL CG1 C 21.092 0.000 . 1043 480 118 VAL CG2 C 21.092 0.000 . 1044 480 118 VAL N N 120.445 0.000 . 1045 481 119 SER H H 8.089 0.000 . 1046 481 119 SER N N 120.541 0.000 . 1047 483 121 LEU H H 8.141 0.000 . 1048 483 121 LEU HA H 4.455 0.000 . 1049 483 121 LEU HB2 H 1.584 0.000 . 1050 483 121 LEU HB3 H 1.700 0.000 . 1051 483 121 LEU HG H 1.633 0.000 . 1052 483 121 LEU HD1 H 0.865 0.000 . 1053 483 121 LEU HD2 H 0.836 0.000 . 1054 483 121 LEU CA C 55.469 0.000 . 1055 483 121 LEU CB C 43.698 0.000 . 1056 483 121 LEU CG C 27.192 0.000 . 1057 483 121 LEU CD1 C 25.668 0.000 . 1058 483 121 LEU CD2 C 23.133 0.000 . 1059 483 121 LEU N N 117.168 0.000 . 1060 484 122 ALA H H 7.811 0.000 . 1061 484 122 ALA HA H 5.283 0.000 . 1062 484 122 ALA HB H 0.990 0.000 . 1063 484 122 ALA CA C 51.057 0.000 . 1064 484 122 ALA CB C 22.114 0.000 . 1065 484 122 ALA N N 121.409 0.000 . 1066 485 123 CYS H H 8.845 0.002 . 1067 485 123 CYS HA H 4.756 0.000 . 1068 485 123 CYS HB2 H 2.910 0.000 . 1069 485 123 CYS HB3 H 3.048 0.000 . 1070 485 123 CYS CA C 55.903 0.000 . 1071 485 123 CYS CB C 31.631 0.000 . 1072 485 123 CYS N N 115.336 0.000 . 1073 486 124 LEU H H 8.600 0.000 . 1074 486 124 LEU HA H 4.103 0.000 . 1075 486 124 LEU HB2 H 1.334 0.000 . 1076 486 124 LEU HB3 H 1.786 0.001 . 1077 486 124 LEU HG H 1.569 0.000 . 1078 486 124 LEU HD1 H 0.777 0.000 . 1079 486 124 LEU HD2 H 0.528 0.000 . 1080 486 124 LEU CA C 55.469 0.000 . 1081 486 124 LEU CB C 41.520 0.000 . 1082 486 124 LEU CG C 26.334 0.000 . 1083 486 124 LEU CD1 C 25.804 0.000 . 1084 486 124 LEU CD2 C 22.626 0.000 . 1085 486 124 LEU N N 120.349 0.000 . 1086 487 125 GLY H H 9.145 0.000 . 1087 487 125 GLY HA2 H 3.327 0.000 . 1088 487 125 GLY HA3 H 4.536 0.000 . 1089 487 125 GLY CA C 43.639 0.000 . 1090 487 125 GLY N N 111.945 0.000 . 1091 488 126 SER H H 7.745 0.000 . 1092 488 126 SER HA H 5.181 0.000 . 1093 488 126 SER HB2 H 3.657 0.000 . 1094 488 126 SER HB3 H 3.693 0.000 . 1095 488 126 SER CA C 54.617 0.000 . 1096 488 126 SER CB C 64.828 0.000 . 1097 488 126 SER N N 114.276 0.000 . 1098 489 127 PRO HA H 5.107 0.000 . 1099 489 127 PRO HB2 H 2.522 0.000 . 1100 489 127 PRO HB3 H 2.594 0.000 . 1101 489 127 PRO HG2 H 1.879 0.000 . 1102 489 127 PRO HG3 H 2.301 0.000 . 1103 489 127 PRO HD2 H 3.591 0.000 . 1104 489 127 PRO HD3 H 4.184 0.000 . 1105 489 127 PRO CA C 63.245 0.000 . 1106 489 127 PRO CB C 34.054 0.000 . 1107 489 127 PRO CG C 24.905 0.001 . 1108 489 127 PRO CD C 50.551 0.000 . 1109 490 128 SER H H 9.386 0.000 . 1110 490 128 SER HA H 4.785 0.000 . 1111 490 128 SER HB2 H 4.221 0.000 . 1112 490 128 SER HB3 H 4.477 0.000 . 1113 490 128 SER CA C 58.419 0.000 . 1114 490 128 SER CB C 64.008 0.000 . 1115 490 128 SER N N 117.457 0.000 . 1116 491 129 THR H H 7.826 0.000 . 1117 491 129 THR HA H 5.628 0.000 . 1118 491 129 THR HB H 3.892 0.000 . 1119 491 129 THR HG2 H 1.121 0.000 . 1120 491 129 THR CA C 62.744 0.000 . 1121 491 129 THR CB C 73.344 0.000 . 1122 491 129 THR CG2 C 22.625 0.000 . 1123 491 129 THR N N 119.963 0.000 . 1124 492 130 ALA H H 8.954 0.000 . 1125 492 130 ALA HA H 4.895 0.000 . 1126 492 130 ALA HB H 0.257 0.000 . 1127 492 130 ALA CA C 49.286 0.000 . 1128 492 130 ALA CB C 19.978 0.000 . 1129 492 130 ALA N N 129.062 0.000 . 1130 493 131 THR H H 8.090 0.000 . 1131 493 131 THR HA H 4.565 0.000 . 1132 493 131 THR HB H 3.825 0.000 . 1133 493 131 THR HG2 H 0.968 0.000 . 1134 493 131 THR CA C 61.718 0.000 . 1135 493 131 THR CB C 69.772 0.000 . 1136 493 131 THR CG2 C 21.037 0.000 . 1137 493 131 THR N N 116.204 0.000 . 1138 494 132 VAL H H 8.859 0.000 . 1139 494 132 VAL HA H 4.309 0.000 . 1140 494 132 VAL HB H -0.092 0.000 . 1141 494 132 VAL HG1 H 0.242 0.000 . 1142 494 132 VAL HG2 H 0.022 0.000 . 1143 494 132 VAL CA C 60.199 0.000 . 1144 494 132 VAL CB C 31.631 0.000 . 1145 494 132 VAL CG1 C 22.375 0.000 . 1146 494 132 VAL CG2 C 20.598 0.000 . 1147 494 132 VAL N N 129.409 0.000 . 1148 495 133 THR H H 8.603 0.000 . 1149 495 133 THR HA H 4.652 0.000 . 1150 495 133 THR HB H 3.606 0.000 . 1151 495 133 THR HG2 H 0.617 0.000 . 1152 495 133 THR CA C 61.847 0.000 . 1153 495 133 THR CB C 70.301 0.000 . 1154 495 133 THR CG2 C 21.214 0.000 . 1155 495 133 THR N N 123.433 0.000 . 1156 496 134 ILE H H 9.072 0.000 . 1157 496 134 ILE HA H 4.462 0.000 . 1158 496 134 ILE HB H 1.627 0.001 . 1159 496 134 ILE HG12 H 0.638 0.000 . 1160 496 134 ILE HG13 H 1.517 0.000 . 1161 496 134 ILE HG2 H 0.733 0.000 . 1162 496 134 ILE HD1 H 0.982 0.002 . 1163 496 134 ILE CA C 59.707 0.000 . 1164 496 134 ILE CB C 40.140 0.000 . 1165 496 134 ILE CG1 C 26.687 0.000 . 1166 496 134 ILE CG2 C 17.152 0.000 . 1167 496 134 ILE CD1 C 14.754 0.000 . 1168 496 134 ILE N N 125.650 0.000 . 1169 497 135 PHE H H 9.775 0.000 . 1170 497 135 PHE HA H 4.932 0.000 . 1171 497 135 PHE HB2 H 2.968 0.000 . 1172 497 135 PHE HB3 H 3.159 0.000 . 1173 497 135 PHE HD1 H 7.195 0.000 . 1174 497 135 PHE HD2 H 7.195 0.000 . 1175 497 135 PHE CA C 55.999 0.000 . 1176 497 135 PHE CB C 38.524 0.025 . 1177 497 135 PHE CD1 C 131.188 0.000 . 1178 497 135 PHE N N 131.241 0.000 . 1179 498 136 ASP H H 8.991 0.000 . 1180 498 136 ASP HA H 4.338 0.000 . 1181 498 136 ASP HB2 H 2.272 0.000 . 1182 498 136 ASP HB3 H 2.580 0.000 . 1183 498 136 ASP CA C 56.352 0.000 . 1184 498 136 ASP CB C 45.471 0.000 . 1185 498 136 ASP N N 126.132 0.000 . 1186 499 137 ASP H H 7.752 0.000 . 1187 499 137 ASP HA H 4.888 0.000 . 1188 499 137 ASP HB2 H 2.213 0.000 . 1189 499 137 ASP HB3 H 3.049 0.000 . 1190 499 137 ASP CA C 52.644 0.000 . 1191 499 137 ASP CB C 41.162 0.000 . 1192 499 137 ASP N N 119.586 0.000 . 1193 500 138 ASP H H 8.016 0.000 . 1194 500 138 ASP HA H 4.991 0.000 . 1195 500 138 ASP HB2 H 2.631 0.000 . 1196 500 138 ASP HB3 H 2.903 0.000 . 1197 500 138 ASP CA C 54.763 0.000 . 1198 500 138 ASP CB C 40.140 0.000 . 1199 500 138 ASP N N 120.830 0.000 . 1200 501 139 HIS H H 7.900 0.000 . 1201 501 139 HIS HA H 4.478 0.000 . 1202 501 139 HIS HB2 H 3.071 0.000 . 1203 501 139 HIS HB3 H 3.129 0.000 . 1204 501 139 HIS HD2 H 7.034 0.000 . 1205 501 139 HIS CA C 55.999 0.000 . 1206 501 139 HIS CB C 31.000 0.000 . 1207 501 139 HIS CD2 C 119.768 0.000 . 1208 501 139 HIS N N 116.889 0.000 . 1209 502 140 ALA H H 8.251 0.000 . 1210 502 140 ALA HA H 4.184 0.000 . 1211 502 140 ALA HB H 1.195 0.000 . 1212 502 140 ALA CA C 52.644 0.000 . 1213 502 140 ALA CB C 18.918 0.000 . 1214 502 140 ALA N N 125.072 0.000 . 1215 503 141 GLY H H 8.360 0.000 . 1216 503 141 GLY HA2 H 3.854 0.000 . 1217 503 141 GLY HA3 H 3.906 0.000 . 1218 503 141 GLY CA C 45.378 0.000 . 1219 503 141 GLY N N 108.492 0.000 . 1220 504 142 ILE H H 7.701 0.000 . 1221 504 142 ILE HA H 4.071 0.000 . 1222 504 142 ILE HB H 1.688 0.000 . 1223 504 142 ILE HG12 H 0.994 0.000 . 1224 504 142 ILE HG13 H 1.217 0.000 . 1225 504 142 ILE HG2 H 0.704 0.000 . 1226 504 142 ILE HD1 H 0.719 0.000 . 1227 504 142 ILE CA C 61.119 0.000 . 1228 504 142 ILE CB C 38.694 0.000 . 1229 504 142 ILE CG1 C 27.041 0.000 . 1230 504 142 ILE CG2 C 17.329 0.000 . 1231 504 142 ILE CD1 C 12.977 0.000 . 1232 504 142 ILE N N 119.385 0.000 . 1233 505 143 PHE H H 8.206 0.000 . 1234 505 143 PHE HA H 4.674 0.000 . 1235 505 143 PHE HB2 H 2.880 0.001 . 1236 505 143 PHE HB3 H 3.019 0.000 . 1237 505 143 PHE HD1 H 7.150 0.000 . 1238 505 143 PHE HD2 H 7.150 0.000 . 1239 505 143 PHE CA C 57.403 0.000 . 1240 505 143 PHE CB C 39.754 0.000 . 1241 505 143 PHE N N 124.011 0.000 . 1242 506 144 THR H H 7.861 0.000 . 1243 506 144 THR HA H 4.257 0.000 . 1244 506 144 THR HB H 4.060 0.000 . 1245 506 144 THR HG2 H 1.081 0.000 . 1246 506 144 THR CA C 61.296 0.000 . 1247 506 144 THR CB C 69.948 0.000 . 1248 506 144 THR CG2 C 21.608 0.000 . 1249 506 144 THR N N 115.915 0.000 . 1250 507 145 PHE H H 8.103 0.000 . 1251 507 145 PHE HA H 4.602 0.000 . 1252 507 145 PHE HB2 H 2.975 0.000 . 1253 507 145 PHE HB3 H 3.129 0.000 . 1254 507 145 PHE HD1 H 7.235 0.000 . 1255 507 145 PHE HD2 H 7.235 0.000 . 1256 507 145 PHE CA C 57.660 0.000 . 1257 507 145 PHE CB C 39.754 0.000 . 1258 507 145 PHE N N 122.373 0.000 . 1259 508 146 GLU H H 8.205 0.000 . 1260 508 146 GLU N N 123.144 0.000 . stop_ save_