data_6787 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for rabphilin C2A domain ; _BMRB_accession_number 6787 _BMRB_flat_file_name bmr6787.str _Entry_type original _Submission_date 2005-08-23 _Accession_date 2005-08-23 _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 Montaville Pierre . . 2 Kim Hai-Young . . 3 Vijayan Vinesh . . 4 Becker Stefan . . 5 Zweckstetter Markus . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 828 "13C chemical shifts" 553 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation' 2006-06-13 update author 'chemical shift referencing updated' 2006-04-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 4360 'C2B domain rabphilin' stop_ _Original_release_date 2005-08-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N, and 13C Resonance Assignment of the C2A Domain of Rabphilin3A ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16609836 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Montaville Pierre . . 2 Kim Hai-Young . . 3 Vijayan Vinesh . . 4 Becker Stefan . . 5 Zweckstetter Markus . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 20 _Page_last 20 _Year 2006 _Details . loop_ _Keyword 'C2A rabphilin NMR' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'rabphilin C2A domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label C2A $rabphilin_C2A_domain 'CALCIUM (II) ION 1' $CA 'CALCIUM (II) ION 2' $CA 'CALCIUM (II) ION 3' $CA stop_ _System_molecular_weight 16336.42 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 C2A 2 'CALCIUM (II) ION 1' 2 'CALCIUM (II) ION 2' 2 'CALCIUM (II) ION 3' stop_ loop_ _Biological_function 'calcium dependent membrane binding module' stop_ _Database_query_date . _Details 'C2A domain of mouse rabphilin 3A (E371-I510)' save_ ######################## # Monomeric polymers # ######################## save_rabphilin_C2A_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'C2A domain' _Molecular_mass 16336.42 _Mol_thiol_state 'all free' loop_ _Biological_function 'calcium dependent membrane binding domain' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; EANSYDSDEATTLGALEFSL LYDQDNSNLQCTIIRAKGLK PMDSNGLADPYVKLHLLPGA SKSNKLRTKTLRNTRNPVWN ETLQYHGITEEDMQRKTLRI SVCDEDKFGHNEFIGETRFS LKKLKANQRKNFNICLERVI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 371 GLU 2 372 ALA 3 373 ASN 4 374 SER 5 375 TYR 6 376 ASP 7 377 SER 8 378 ASP 9 379 GLU 10 380 ALA 11 381 THR 12 382 THR 13 383 LEU 14 384 GLY 15 385 ALA 16 386 LEU 17 387 GLU 18 388 PHE 19 389 SER 20 390 LEU 21 391 LEU 22 392 TYR 23 393 ASP 24 394 GLN 25 395 ASP 26 396 ASN 27 397 SER 28 398 ASN 29 399 LEU 30 400 GLN 31 401 CYS 32 402 THR 33 403 ILE 34 404 ILE 35 405 ARG 36 406 ALA 37 407 LYS 38 408 GLY 39 409 LEU 40 410 LYS 41 411 PRO 42 412 MET 43 413 ASP 44 414 SER 45 415 ASN 46 416 GLY 47 417 LEU 48 418 ALA 49 419 ASP 50 420 PRO 51 421 TYR 52 422 VAL 53 423 LYS 54 424 LEU 55 425 HIS 56 426 LEU 57 427 LEU 58 428 PRO 59 429 GLY 60 430 ALA 61 431 SER 62 432 LYS 63 433 SER 64 434 ASN 65 435 LYS 66 436 LEU 67 437 ARG 68 438 THR 69 439 LYS 70 440 THR 71 441 LEU 72 442 ARG 73 443 ASN 74 444 THR 75 445 ARG 76 446 ASN 77 447 PRO 78 448 VAL 79 449 TRP 80 450 ASN 81 451 GLU 82 452 THR 83 453 LEU 84 454 GLN 85 455 TYR 86 456 HIS 87 457 GLY 88 458 ILE 89 459 THR 90 460 GLU 91 461 GLU 92 462 ASP 93 463 MET 94 464 GLN 95 465 ARG 96 466 LYS 97 467 THR 98 468 LEU 99 469 ARG 100 470 ILE 101 471 SER 102 472 VAL 103 473 CYS 104 474 ASP 105 475 GLU 106 476 ASP 107 477 LYS 108 478 PHE 109 479 GLY 110 480 HIS 111 481 ASN 112 482 GLU 113 483 PHE 114 484 ILE 115 485 GLY 116 486 GLU 117 487 THR 118 488 ARG 119 489 PHE 120 490 SER 121 491 LEU 122 492 LYS 123 493 LYS 124 494 LEU 125 495 LYS 126 496 ALA 127 497 ASN 128 498 GLN 129 499 ARG 130 500 LYS 131 501 ASN 132 502 PHE 133 503 ASN 134 504 ILE 135 505 CYS 136 506 LEU 137 507 GLU 138 508 ARG 139 509 VAL 140 510 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 Wed Oct 19 16:59:18 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 $rabphilin_C2A_domain mouse 10090 Eukaryota Metazoa mus musculus 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 $rabphilin_C2A_domain 'recombinant technology' 'E. Coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; Na acetate 20mM pH5.0 NaCl 150mM CaCl2 20 mM DTT 1mM ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $rabphilin_C2A_domain 1 mM 0.7 1.1 '[U-13C; U-15N]' 'Na acetate' 20 mM . . . NaCl 150 mM . . . CaCl2 20 mM . . . DTT 1 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_MARS _Saveframe_category software _Name MARS _Version . loop_ _Task 'semi automated backbone assignment' stop_ _Details ; Jung Y.-S. and Zweckstetter M. (2004). J. Biomol. NMR 30,11-23. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model . _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_[15N,_1H]_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [15N, 1H] HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NNH' _Sample_label $sample_1 save_ save_3D_H(CCO)NNH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NNH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_[15N,_1H]_NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [15N, 1H] NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_[13C,_1H]_NOESY-HMQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [13C, 1H] NOESY-HMQC' _Sample_label $sample_1 save_ save_2D_(Hb)Cb(CgCd)Hd_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (Hb)Cb(CgCd)Hd' _Sample_label $sample_1 save_ save_2D_(Hb)Cb(CgCdCe)He_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (Hb)Cb(CgCdCe)He' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details ; Na Acetate 20 mM pH 5.0 NaCl 150 mM CaCl2 20 mM DTT 1 mM ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 1 mM pH 5.0 0.01 pH temperature 301 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 DSS C 13 'methyl protons' ppm 0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_C2A-Rabp3A.shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $MARS stop_ loop_ _Experiment_label '2D [15N, 1H] HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name C2A _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 1 GLU H H 8.68 0.02 1 2 371 1 GLU HA H 4.26 0.02 1 3 371 1 GLU HB2 H 1.91 0.02 2 4 371 1 GLU HB3 H 2.04 0.02 2 5 371 1 GLU HG2 H 2.26 0.02 1 6 371 1 GLU HG3 H 2.25 0.02 1 7 371 1 GLU C C 176.60 0.05 1 8 371 1 GLU CA C 54.18 0.3 1 9 371 1 GLU CB C 27.14 0.3 1 10 371 1 GLU CG C 33.21 0.3 1 11 371 1 GLU N N 122.95 0.1 1 12 372 2 ALA H H 8.28 0.02 1 13 372 2 ALA HA H 4.24 0.02 1 14 372 2 ALA HB H 1.33 0.02 1 15 372 2 ALA C C 177.75 0.05 1 16 372 2 ALA CA C 50.93 0.3 1 17 372 2 ALA CB C 16.39 0.3 1 18 372 2 ALA N N 124.66 0.1 1 19 373 3 ASN H H 8.29 0.02 1 20 373 3 ASN HA H 4.63 0.02 1 21 373 3 ASN HB2 H 2.69 0.02 1 22 373 3 ASN HB3 H 2.68 0.02 1 23 373 3 ASN HD21 H 7.54 0.02 1 24 373 3 ASN HD22 H 6.88 0.02 1 25 373 3 ASN C C 175.44 0.05 1 26 373 3 ASN CA C 50.50 0.3 1 27 373 3 ASN CB C 36.53 0.3 1 28 373 3 ASN N N 117.66 0.1 1 29 373 3 ASN ND2 N 113.07 0.1 1 30 374 4 SER H H 8.12 0.02 1 31 374 4 SER HA H 4.36 0.02 1 32 374 4 SER HB2 H 3.75 0.02 1 33 374 4 SER HB3 H 3.76 0.02 1 34 374 4 SER C C 174.49 0.05 1 35 374 4 SER CA C 55.67 0.3 1 36 374 4 SER CB C 61.07 0.3 1 37 374 4 SER N N 115.98 0.1 1 38 375 5 TYR H H 8.13 0.02 1 39 375 5 TYR HA H 4.53 0.02 1 40 375 5 TYR HB2 H 2.90 0.02 2 41 375 5 TYR HB3 H 3.02 0.02 2 42 375 5 TYR HD1 H 6.78 0.02 1 43 375 5 TYR HD2 H 6.80 0.02 1 44 375 5 TYR HE1 H 7.08 0.02 1 45 375 5 TYR HE2 H 7.08 0.02 1 46 375 5 TYR C C 175.79 0.05 1 47 375 5 TYR CA C 55.24 0.3 1 48 375 5 TYR CB C 36.02 0.3 1 49 375 5 TYR N N 121.76 0.1 1 50 376 6 ASP H H 8.19 0.02 1 51 376 6 ASP HA H 4.59 0.02 1 52 376 6 ASP HB2 H 2.55 0.02 2 53 376 6 ASP HB3 H 2.65 0.02 2 54 376 6 ASP C C 176.42 0.05 1 55 376 6 ASP CA C 51.52 0.3 1 56 376 6 ASP CB C 38.48 0.3 1 57 376 6 ASP N N 122.00 0.1 1 58 377 7 SER H H 8.13 0.02 1 59 377 7 SER HA H 4.35 0.02 1 60 377 7 SER HB2 H 3.81 0.02 2 61 377 7 SER HB3 H 3.86 0.02 2 62 377 7 SER C C 174.84 0.05 1 63 377 7 SER CA C 55.87 0.3 1 64 377 7 SER CB C 61.29 0.3 1 65 377 7 SER N N 116.16 0.1 1 66 378 8 ASP H H 8.38 0.02 1 67 378 8 ASP HA H 4.60 0.02 1 68 378 8 ASP HB2 H 2.55 0.02 2 69 378 8 ASP HB3 H 2.65 0.02 2 70 378 8 ASP C C 176.89 0.05 1 71 378 8 ASP CA C 52.02 0.3 1 72 378 8 ASP CB C 38.32 0.3 1 73 378 8 ASP N N 122.32 0.1 1 74 379 9 GLU H H 8.22 0.02 1 75 379 9 GLU HA H 4.20 0.02 1 76 379 9 GLU HB2 H 1.91 0.02 2 77 379 9 GLU HB3 H 2.04 0.02 2 78 379 9 GLU HG2 H 2.24 0.02 2 79 379 9 GLU HG3 H 2.27 0.02 2 80 379 9 GLU C C 176.91 0.05 1 81 379 9 GLU CA C 54.21 0.3 1 82 379 9 GLU CB C 27.33 0.3 1 83 379 9 GLU CG C 33.06 0.3 1 84 379 9 GLU N N 120.86 0.1 1 85 380 10 ALA H H 8.25 0.02 1 86 380 10 ALA HA H 4.33 0.02 1 87 380 10 ALA HB H 1.39 0.02 1 88 380 10 ALA C C 178.39 0.05 1 89 380 10 ALA CA C 50.33 0.3 1 90 380 10 ALA CB C 16.40 0.3 1 91 380 10 ALA N N 124.08 0.1 1 92 381 11 THR H H 8.00 0.02 1 93 381 11 THR HA H 4.40 0.02 1 94 381 11 THR HB H 4.28 0.02 1 95 381 11 THR HG2 H 1.20 0.02 1 96 381 11 THR C C 175.30 0.05 1 97 381 11 THR CA C 59.09 0.3 1 98 381 11 THR CB C 67.38 0.3 1 99 381 11 THR CG2 C 18.83 0.3 1 100 381 11 THR N N 112.08 0.1 1 101 382 12 THR H H 8.03 0.02 1 102 382 12 THR HA H 4.36 0.02 1 103 382 12 THR HB H 4.28 0.02 1 104 382 12 THR HG2 H 1.20 0.02 1 105 382 12 THR C C 174.76 0.05 1 106 382 12 THR CA C 59.35 0.3 1 107 382 12 THR CB C 67.182 0.3 1 108 382 12 THR CG2 C 18.79 0.3 1 109 382 12 THR N N 116.65 0.1 1 110 383 13 LEU H H 8.41 0.02 1 111 383 13 LEU HA H 4.30 0.02 1 112 383 13 LEU HB2 H 1.33 0.02 2 113 383 13 LEU HB3 H 1.59 0.02 2 114 383 13 LEU HG H 1.64 0.02 1 115 383 13 LEU HD1 H 0.81 0.02 1 116 383 13 LEU HD2 H 0.82 0.02 1 117 383 13 LEU C C 176.23 0.05 1 118 383 13 LEU CA C 53.44 0.3 1 119 383 13 LEU CB C 41.05 0.3 1 120 383 13 LEU CG C 24.72 0.3 1 121 383 13 LEU CD1 C 20.13 0.3 1 122 383 13 LEU CD2 C 22.17 0.3 1 123 383 13 LEU N N 122.33 0.1 1 124 384 14 GLY H H 7.39 0.02 1 125 384 14 GLY HA2 H 3.63 0.02 2 126 384 14 GLY HA3 H 4.29 0.02 2 127 384 14 GLY C C 172.75 0.05 1 128 384 14 GLY CA C 41.32 0.3 1 129 384 14 GLY N N 103.36 0.1 1 130 385 15 ALA H H 8.25 0.02 1 131 385 15 ALA HA H 5.35 0.02 1 132 385 15 ALA HB H 1.32 0.02 1 133 385 15 ALA C C 175.95 0.05 1 134 385 15 ALA CA C 47.98 0.3 1 135 385 15 ALA CB C 19.91 0.3 1 136 385 15 ALA N N 121.21 0.1 1 137 386 16 LEU H H 9.08 0.02 1 138 386 16 LEU HA H 5.07 0.02 1 139 386 16 LEU HB2 H 1.84 0.02 2 140 386 16 LEU HB3 H 1.01 0.02 2 141 386 16 LEU HD1 H 0.50 0.02 2 142 386 16 LEU HD2 H 0.44 0.02 2 143 386 16 LEU C C 173.91 0.05 1 144 386 16 LEU CA C 51.30 0.3 1 145 386 16 LEU CB C 45.76 0.3 1 146 386 16 LEU CD1 C 24.58 0.3 1 147 386 16 LEU CD2 C 24.58 0.3 1 148 386 16 LEU N N 122.16 0.1 1 149 387 17 GLU H H 9.23 0.02 1 150 387 17 GLU HA H 5.68 0.02 1 151 387 17 GLU HB2 H 1.96 0.02 2 152 387 17 GLU HB3 H 2.15 0.02 2 153 387 17 GLU HG2 H 2.18 0.02 2 154 387 17 GLU HG3 H 2.24 0.02 2 155 387 17 GLU C C 176.14 0.05 1 156 387 17 GLU CA C 51.81 0.3 1 157 387 17 GLU CB C 29.95 0.3 1 158 387 17 GLU CG C 33.77 0.3 1 159 387 17 GLU N N 125.31 0.1 1 160 388 18 PHE H H 8.56 0.02 1 161 388 18 PHE HA H 5.42 0.02 1 162 388 18 PHE HB2 H 2.94 0.02 2 163 388 18 PHE HB3 H 3.13 0.02 2 164 388 18 PHE HD1 H 6.63 0.02 1 165 388 18 PHE HD2 H 6.65 0.02 1 166 388 18 PHE HE1 H 6.77 0.02 1 167 388 18 PHE HE2 H 6.79 0.02 1 168 388 18 PHE C C 172.17 0.05 1 169 388 18 PHE CA C 52.85 0.3 1 170 388 18 PHE CB C 38.91 0.3 1 171 388 18 PHE N N 119.85 0.1 1 172 389 19 SER H H 9.55 0.02 1 173 389 19 SER HA H 5.66 0.02 1 174 389 19 SER HB2 H 3.72 0.02 2 175 389 19 SER HB3 H 3.66 0.02 2 176 389 19 SER C C 173.98 0.05 1 177 389 19 SER CA C 53.69 0.3 1 178 389 19 SER CB C 64.04 0.3 1 179 389 19 SER N N 114.71 0.1 1 180 390 20 LEU H H 9.00 0.02 1 181 390 20 LEU HA H 5.52 0.02 1 182 390 20 LEU HB2 H 1.77 0.02 2 183 390 20 LEU HB3 H 1.35 0.02 2 184 390 20 LEU HG H 1.65 0.02 1 185 390 20 LEU HD1 H 0.44 0.02 2 186 390 20 LEU HD2 H 0.90 0.02 2 187 390 20 LEU C C 175.25 0.05 1 188 390 20 LEU CA C 50.71 0.3 1 189 390 20 LEU CB C 46.11 0.3 1 190 390 20 LEU CG C 24.44 0.3 1 191 390 20 LEU CD1 C 24.54 0.3 1 192 390 20 LEU CD2 C 21.85 0.3 1 193 390 20 LEU N N 122.66 0.1 1 194 391 21 LEU H H 8.43 0.02 1 195 391 21 LEU HA H 4.47 0.02 1 196 391 21 LEU HB2 H 1.64 0.02 2 197 391 21 LEU HB3 H 1.24 0.02 2 198 391 21 LEU HG H 1.75 0.02 1 199 391 21 LEU HD1 H 0.69 0.02 2 200 391 21 LEU HD2 H -0.03 0.02 2 201 391 21 LEU C C 174.38 0.05 1 202 391 21 LEU CA C 52.18 0.3 1 203 391 21 LEU CB C 43.92 0.3 1 204 391 21 LEU CG C 30.65 0.3 1 205 391 21 LEU N N 119.91 0.1 1 206 392 22 TYR H H 9.97 0.02 1 207 392 22 TYR HA H 5.31 0.02 1 208 392 22 TYR HB2 H 2.76 0.02 2 209 392 22 TYR HB3 H 2.81 0.02 2 210 392 22 TYR HD1 H 6.86 0.02 1 211 392 22 TYR HD2 H 6.86 0.02 1 212 392 22 TYR HE1 H 6.78 0.02 1 213 392 22 TYR HE2 H 6.80 0.02 1 214 392 22 TYR C C 173.17 0.05 1 215 392 22 TYR CA C 52.07 0.3 1 216 392 22 TYR CB C 36.21 0.3 1 217 392 22 TYR N N 129.17 0.1 1 218 393 23 ASP H H 8.72 0.02 1 219 393 23 ASP HA H 4.69 0.02 1 220 393 23 ASP HB2 H 2.31 0.02 2 221 393 23 ASP HB3 H 2.89 0.02 2 222 393 23 ASP C C 175.91 0.05 1 223 393 23 ASP CA C 48.89 0.3 1 224 393 23 ASP CB C 37.81 0.3 1 225 393 23 ASP N N 129.15 0.1 1 226 394 24 GLN H H 7.24 0.02 1 227 394 24 GLN HA H 3.26 0.02 1 228 394 24 GLN HB2 H 1.85 0.02 2 229 394 24 GLN HB3 H 1.53 0.02 2 230 394 24 GLN HG2 H 2.29 0.02 2 231 394 24 GLN HG3 H 2.27 0.02 2 232 394 24 GLN HE21 H 7.55 0.02 2 233 394 24 GLN HE22 H 6.86 0.02 2 234 394 24 GLN C C 178.82 0.05 1 235 394 24 GLN CA C 56.10 0.3 1 236 394 24 GLN CB C 26.98 0.3 1 237 394 24 GLN CG C 30.71 0.3 1 238 394 24 GLN N N 125.69 0.1 1 239 394 24 GLN NE2 N 112.24 0.1 1 240 395 25 ASP H H 8.68 0.02 1 241 395 25 ASP HA H 4.29 0.02 1 242 395 25 ASP HB2 H 2.54 0.02 2 243 395 25 ASP HB3 H 2.60 0.02 2 244 395 25 ASP C C 177.69 0.05 1 245 395 25 ASP CA C 54.67 0.3 1 246 395 25 ASP CB C 37.37 0.3 1 247 395 25 ASP N N 119.76 0.1 1 248 396 26 ASN H H 7.10 0.02 1 249 396 26 ASN HA H 4.91 0.02 1 250 396 26 ASN HB2 H 2.90 0.02 2 251 396 26 ASN HB3 H 2.22 0.02 2 252 396 26 ASN HD21 H 8.64 0.02 2 253 396 26 ASN HD22 H 6.94 0.02 2 254 396 26 ASN C C 173.70 0.05 1 255 396 26 ASN CA C 50.26 0.3 1 256 396 26 ASN CB C 37.30 0.3 1 257 396 26 ASN N N 113.67 0.1 1 258 396 26 ASN ND2 N 118.03 0.1 1 259 397 27 SER H H 7.80 0.02 1 260 397 27 SER HA H 4.00 0.02 1 261 397 27 SER HB2 H 3.96 0.02 2 262 397 27 SER HB3 H 3.98 0.02 2 263 397 27 SER C C 173.47 0.05 1 264 397 27 SER CA C 56.04 0.3 1 265 397 27 SER CB C 59.02 0.3 1 266 397 27 SER N N 114.85 0.1 1 267 398 28 ASN H H 7.68 0.02 1 268 398 28 ASN HA H 5.79 0.02 1 269 398 28 ASN HB2 H 2.58 0.02 2 270 398 28 ASN HB3 H 2.53 0.02 2 271 398 28 ASN HD21 H 7.47 0.02 2 272 398 28 ASN HD22 H 7.17 0.02 2 273 398 28 ASN C C 173.75 0.05 1 274 398 28 ASN CA C 48.62 0.3 1 275 398 28 ASN CB C 40.31 0.3 1 276 398 28 ASN N N 115.54 0.1 1 277 398 28 ASN ND2 N 111.98 0.1 1 278 399 29 LEU H H 8.73 0.02 1 279 399 29 LEU HA H 5.24 0.02 1 280 399 29 LEU HB2 H 1.30 0.02 2 281 399 29 LEU HB3 H 2.08 0.02 2 282 399 29 LEU HG H 1.45 0.02 1 283 399 29 LEU HD1 H 0.87 0.02 2 284 399 29 LEU HD2 H 0.80 0.02 2 285 399 29 LEU C C 174.27 0.05 1 286 399 29 LEU CA C 51.10 0.3 1 287 399 29 LEU CB C 42.80 0.3 1 288 399 29 LEU CG C 25.37 0.3 1 289 399 29 LEU CD1 C 20.10 0.3 1 290 399 29 LEU CD2 C 24.22 0.3 1 291 399 29 LEU N N 125.49 0.1 1 292 400 30 GLN H H 9.48 0.02 1 293 400 30 GLN HA H 4.74 0.02 1 294 400 30 GLN HB2 H 2.29 0.02 2 295 400 30 GLN HB3 H 2.12 0.02 2 296 400 30 GLN HG2 H 1.86 0.02 2 297 400 30 GLN HG3 H 2.11 0.02 2 298 400 30 GLN HE21 H 7.26 0.02 2 299 400 30 GLN HE22 H 6.85 0.02 2 300 400 30 GLN C C 175.43 0.05 1 301 400 30 GLN CA C 52.18 0.3 1 302 400 30 GLN CB C 28.01 0.3 1 303 400 30 GLN CG C 30.94 0.3 1 304 400 30 GLN N N 125.95 0.1 1 305 400 30 GLN NE2 N 110.70 0.1 1 306 401 31 CYS H H 9.25 0.02 1 307 401 31 CYS HA H 5.33 0.02 1 308 401 31 CYS HB2 H 2.39 0.02 2 309 401 31 CYS HB3 H 2.53 0.02 2 310 401 31 CYS C C 174.07 0.05 1 311 401 31 CYS CA C 53.58 0.3 1 312 401 31 CYS CB C 26.14 0.3 1 313 401 31 CYS N N 125.63 0.1 1 314 402 32 THR H H 9.51 0.02 1 315 402 32 THR HA H 4.06 0.02 1 316 402 32 THR HB H 4.05 0.02 1 317 402 32 THR HG2 H 0.91 0.02 1 318 402 32 THR C C 174.03 0.05 1 319 402 32 THR CA C 59.64 0.3 1 320 402 32 THR CB C 66.802 0.3 1 321 402 32 THR CG2 C 18.35 0.3 1 322 402 32 THR N N 126.19 0.1 1 323 403 33 ILE H H 9.29 0.02 1 324 403 33 ILE HA H 4.05 0.02 1 325 403 33 ILE HB H 1.98 0.02 1 326 403 33 ILE HG12 H 0.73 0.02 1 327 403 33 ILE HG13 H 1.46 0.02 1 328 403 33 ILE HG2 H 0.36 0.02 1 329 403 33 ILE HD1 H 0.44 0.02 1 330 403 33 ILE C C 175.15 0.05 1 331 403 33 ILE CA C 56.23 0.3 1 332 403 33 ILE CB C 31.98 0.3 1 333 403 33 ILE CD1 C 16.182 0.3 1 334 403 33 ILE N N 129.15 0.1 1 335 404 34 ILE H H 8.35 0.02 1 336 404 34 ILE HA H 3.98 0.02 1 337 404 34 ILE HB H 1.69 0.02 1 338 404 34 ILE HG12 H 1.00 0.02 1 339 404 34 ILE HG13 H 1.74 0.02 1 340 404 34 ILE HG2 H 0.92 0.02 1 341 404 34 ILE HD1 H 0.79 0.02 1 342 404 34 ILE C C 176.41 0.05 1 343 404 34 ILE CA C 63.01 0.3 1 344 404 34 ILE CB C 36.24 0.3 1 345 404 34 ILE CG1 C 25.68 0.3 1 346 404 34 ILE CG2 C 13.87 0.3 1 347 404 34 ILE CD1 C 11.04 0.3 1 348 404 34 ILE N N 128.67 0.1 1 349 405 35 ARG H H 8.09 0.02 1 350 405 35 ARG HA H 5.45 0.02 1 351 405 35 ARG HB2 H 1.74 0.02 2 352 405 35 ARG HB3 H 1.97 0.02 2 353 405 35 ARG HG2 H 1.75 0.02 1 354 405 35 ARG HG3 H 1.74 0.02 1 355 405 35 ARG HD2 H 3.07 0.02 2 356 405 35 ARG HD3 H 3.12 0.02 2 357 405 35 ARG C C 172.86 0.05 1 358 405 35 ARG CA C 51.99 0.3 1 359 405 35 ARG CB C 30.57 0.3 1 360 405 35 ARG CG C 22.17 0.3 1 361 405 35 ARG CD C 41.02 0.3 1 362 405 35 ARG N N 110.85 0.1 1 363 406 36 ALA H H 8.89 0.02 1 364 406 36 ALA HA H 5.71 0.02 1 365 406 36 ALA HB H 1.49 0.02 1 366 406 36 ALA C C 175.97 0.05 1 367 406 36 ALA CA C 47.52 0.3 1 368 406 36 ALA CB C 20.07 0.3 1 369 406 36 ALA N N 120.31 0.1 1 370 407 37 LYS H H 8.74 0.02 1 371 407 37 LYS HA H 5.14 0.02 1 372 407 37 LYS HB2 H 1.69 0.02 2 373 407 37 LYS HB3 H 1.53 0.02 2 374 407 37 LYS HG2 H 1.16 0.02 2 375 407 37 LYS HG3 H 1.24 0.02 2 376 407 37 LYS HD2 H 1.52 0.02 1 377 407 37 LYS HD3 H 1.52 0.02 1 378 407 37 LYS HE2 H 2.65 0.02 1 379 407 37 LYS HE3 H 2.65 0.02 1 380 407 37 LYS C C 177.44 0.05 1 381 407 37 LYS CA C 51.76 0.3 1 382 407 37 LYS CB C 33.87 0.3 1 383 407 37 LYS CG C 22.17 0.3 1 384 407 37 LYS CD C 26.57 0.3 1 385 407 37 LYS N N 118.87 0.1 1 386 408 38 GLY H H 8.64 0.02 1 387 408 38 GLY HA2 H 3.66 0.02 1 388 408 38 GLY HA3 H 3.66 0.02 1 389 408 38 GLY C C 174.96 0.05 1 390 408 38 GLY CA C 44.54 0.3 1 391 408 38 GLY N N 112.66 0.1 1 392 409 39 LEU H H 8.27 0.02 1 393 409 39 LEU HA H 4.44 0.02 1 394 409 39 LEU HB2 H 1.21 0.02 2 395 409 39 LEU HB3 H 1.45 0.02 2 396 409 39 LEU HG H 1.18 0.02 1 397 409 39 LEU HD1 H 0.61 0.02 2 398 409 39 LEU HD2 H 0.82 0.02 2 399 409 39 LEU C C 176.94 0.05 1 400 409 39 LEU CA C 52.11 0.3 1 401 409 39 LEU CB C 39.76 0.3 1 402 409 39 LEU CG C 24.48 0.3 1 403 409 39 LEU CD1 C 24.19 0.3 1 404 409 39 LEU CD2 C 24.32 0.3 1 405 409 39 LEU N N 116.11 0.1 1 406 410 40 LYS H H 6.97 0.02 1 407 410 40 LYS HA H 4.30 0.02 1 408 410 40 LYS HB2 H 1.64 0.02 2 409 410 40 LYS HB3 H 1.82 0.02 2 410 410 40 LYS HG2 H 0.70 0.02 1 411 410 40 LYS HG3 H 0.70 0.02 1 412 410 40 LYS HE2 H 3.01 0.02 1 413 410 40 LYS HE3 H 3.01 0.02 1 414 410 40 LYS C C 176.42 0.05 1 415 410 40 LYS CA C 51.81 0.3 1 416 410 40 LYS CB C 31.89 0.3 1 417 410 40 LYS CG C 20.508 0.3 1 418 410 40 LYS CE C 39.39 0.3 1 419 410 40 LYS N N 123.73 0.1 1 420 411 41 PRO C C 178.46 0.05 1 421 412 42 MET H H 8.08 0.02 1 422 412 42 MET HA H 4.99 0.02 1 423 412 42 MET HB2 H 1.83 0.02 2 424 412 42 MET HB3 H 2.03 0.02 2 425 412 42 MET HG2 H 2.15 0.02 2 426 412 42 MET HG3 H 3.04 0.02 2 427 412 42 MET C C 176.13 0.05 1 428 412 42 MET CA C 50.35 0.3 1 429 412 42 MET CB C 31.14 0.3 1 430 412 42 MET CG C 29.21 0.3 1 431 412 42 MET N N 119.98 0.1 1 432 413 43 ASP H H 7.64 0.02 1 433 413 43 ASP HA H 5.37 0.02 1 434 413 43 ASP HB2 H 2.68 0.02 2 435 413 43 ASP HB3 H 2.83 0.02 2 436 413 43 ASP CA C 49.98 0.3 1 437 413 43 ASP CB C 42.70 0.3 1 438 413 43 ASP N N 123.09 0.1 1 439 414 44 SER HB2 H 3.92 0.02 2 440 414 44 SER HB3 H 4.18 0.02 2 441 414 44 SER C C 174.47 0.05 1 442 414 44 SER CB C 60.13 0.3 1 443 415 45 ASN H H 7.65 0.02 1 444 415 45 ASN HA H 4.48 0.02 1 445 415 45 ASN HB2 H 2.77 0.02 2 446 415 45 ASN HB3 H 3.11 0.02 2 447 415 45 ASN HD21 H 7.23 0.02 2 448 415 45 ASN HD22 H 7.65 0.02 2 449 415 45 ASN C C 176.25 0.05 1 450 415 45 ASN CA C 50.06 0.3 1 451 415 45 ASN CB C 34.52 0.3 1 452 415 45 ASN N N 118.65 0.1 1 453 415 45 ASN ND2 N 110.25 0.1 1 454 416 46 GLY H H 8.20 0.02 1 455 416 46 GLY HA2 H 3.72 0.02 2 456 416 46 GLY HA3 H 4.15 0.02 2 457 416 46 GLY C C 174.00 0.05 1 458 416 46 GLY CA C 42.70 0.3 1 459 416 46 GLY N N 107.40 0.1 1 460 417 47 LEU H H 7.94 0.02 1 461 417 47 LEU HA H 4.47 0.02 1 462 417 47 LEU HB2 H 1.87 0.02 1 463 417 47 LEU HB3 H 1.87 0.02 1 464 417 47 LEU HD1 H 0.70 0.02 2 465 417 47 LEU HD2 H 0.93 0.02 2 466 417 47 LEU C C 173.30 0.05 1 467 417 47 LEU CA C 49.85 0.3 1 468 417 47 LEU CB C 39.83 0.3 1 469 417 47 LEU CD1 C 20.62 0.3 1 470 417 47 LEU N N 120.13 0.1 1 471 418 48 ALA H H 7.28 0.02 1 472 418 48 ALA HA H 4.23 0.02 1 473 418 48 ALA HB H 1.11 0.02 1 474 418 48 ALA C C 174.31 0.05 1 475 418 48 ALA CA C 48.78 0.3 1 476 418 48 ALA CB C 18.33 0.3 1 477 418 48 ALA N N 120.23 0.1 1 478 419 49 ASP H H 8.50 0.02 1 479 419 49 ASP HA H 6.03 0.02 1 480 419 49 ASP HB2 H 2.36 0.02 2 481 419 49 ASP HB3 H 3.49 0.02 2 482 419 49 ASP C C 176.97 0.05 1 483 419 49 ASP CA C 49.28 0.3 1 484 419 49 ASP CB C 39.77 0.3 1 485 419 49 ASP N N 117.95 0.1 1 486 420 50 PRO HA H 5.88 0.02 1 487 420 50 PRO HB2 H 1.91 0.02 2 488 420 50 PRO HB3 H 1.87 0.02 2 489 420 50 PRO HG2 H 1.42 0.02 2 490 420 50 PRO HG3 H 1.66 0.02 2 491 420 50 PRO HD2 H 3.62 0.02 2 492 420 50 PRO HD3 H 3.79 0.02 2 493 420 50 PRO C C 177.11 0.05 1 494 420 50 PRO CA C 60.29 0.3 1 495 420 50 PRO CB C 31.42 0.3 1 496 420 50 PRO CG C 25.78 0.3 1 497 420 50 PRO CD C 48.41 0.3 1 498 421 51 TYR H H 8.79 0.02 1 499 421 51 TYR HA H 4.74 0.02 1 500 421 51 TYR HB2 H 2.54 0.02 2 501 421 51 TYR HB3 H 3.11 0.02 2 502 421 51 TYR HD1 H 6.97 0.02 1 503 421 51 TYR HD2 H 6.97 0.02 1 504 421 51 TYR HE1 H 6.78 0.02 1 505 421 51 TYR HE2 H 6.78 0.02 1 506 421 51 TYR C C 171.77 0.05 1 507 421 51 TYR CA C 53.81 0.3 1 508 421 51 TYR CB C 39.26 0.3 1 509 421 51 TYR N N 116.55 0.1 1 510 422 52 VAL H H 7.98 0.02 1 511 422 52 VAL HA H 4.76 0.02 1 512 422 52 VAL HB H 1.12 0.02 1 513 422 52 VAL HG1 H -0.13 0.02 2 514 422 52 VAL HG2 H 0.38 0.02 2 515 422 52 VAL C C 174.70 0.05 1 516 422 52 VAL CA C 57.73 0.3 1 517 422 52 VAL CB C 30.81 0.3 1 518 422 52 VAL CG1 C 19.92 0.3 1 519 422 52 VAL CG2 C 19.92 0.3 1 520 422 52 VAL N N 120.00 0.1 1 521 423 53 LYS H H 9.06 0.02 1 522 423 53 LYS HA H 5.01 0.02 1 523 423 53 LYS HB2 H 1.68 0.02 2 524 423 53 LYS HB3 H 1.80 0.02 2 525 423 53 LYS HG2 H 1.54 0.02 2 526 423 53 LYS HG3 H 1.80 0.02 2 527 423 53 LYS HE2 H 3.02 0.02 1 528 423 53 LYS HE3 H 3.02 0.02 1 529 423 53 LYS C C 174.81 0.05 1 530 423 53 LYS CA C 52.23 0.3 1 531 423 53 LYS CB C 33.61 0.3 1 532 423 53 LYS CG C 27.779 0.3 1 533 423 53 LYS CE C 39.61 0.3 1 534 423 53 LYS N N 124.85 0.1 1 535 424 54 LEU H H 8.74 0.02 1 536 424 54 LEU HA H 5.16 0.02 1 537 424 54 LEU HB2 H 1.57 0.02 2 538 424 54 LEU HB3 H 1.68 0.02 2 539 424 54 LEU HG H 1.40 0.02 1 540 424 54 LEU HD1 H 0.66 0.02 1 541 424 54 LEU C C 176.44 0.05 1 542 424 54 LEU CA C 50.94 0.3 1 543 424 54 LEU CB C 42.14 0.3 1 544 424 54 LEU CG C 25.43 0.3 1 545 424 54 LEU CD1 C 23.44 0.3 1 546 424 54 LEU N N 123.57 0.1 1 547 425 55 HIS H H 8.77 0.02 1 548 425 55 HIS HA H 5.15 0.02 1 549 425 55 HIS HB2 H 2.91 0.02 2 550 425 55 HIS HB3 H 3.03 0.02 2 551 425 55 HIS HD1 H 7.07 0.02 1 552 425 55 HIS HD2 H 7.07 0.02 1 553 425 55 HIS HE1 H 7.39 0.02 1 554 425 55 HIS C C 173.51 0.05 1 555 425 55 HIS CA C 52.02 0.3 1 556 425 55 HIS CB C 31.58 0.3 1 557 425 55 HIS N N 119.91 0.1 1 558 426 56 LEU H H 8.10 0.02 1 559 426 56 LEU HA H 4.77 0.02 1 560 426 56 LEU HB2 H 1.09 0.02 2 561 426 56 LEU HB3 H 1.15 0.02 2 562 426 56 LEU HD1 H 0.13 0.02 1 563 426 56 LEU HD2 H 0.26 0.02 1 564 426 56 LEU C C 175.09 0.05 1 565 426 56 LEU CA C 51.68 0.3 1 566 426 56 LEU CB C 40.60 0.3 1 567 426 56 LEU CD1 C 22.01 0.3 1 568 426 56 LEU CD2 C 22.01 0.3 1 569 426 56 LEU N N 127.11 0.1 1 570 427 57 LEU H H 8.98 0.02 1 571 427 57 LEU HA H 4.47 0.02 1 572 427 57 LEU HB2 H 1.28 0.02 2 573 427 57 LEU HB3 H 1.46 0.02 2 574 427 57 LEU HD1 H 0.53 0.02 1 575 427 57 LEU HD2 H 0.63 0.02 1 576 427 57 LEU C C 175.29 0.05 1 577 427 57 LEU CB C 41.51 0.3 1 578 427 57 LEU N N 124.85 0.1 1 579 428 58 PRO HA H 4.51 0.02 1 580 428 58 PRO HB2 H 2.04 0.02 2 581 428 58 PRO HB3 H 2.35 0.02 2 582 428 58 PRO HG2 H 1.74 0.02 2 583 428 58 PRO HG3 H 1.84 0.02 2 584 428 58 PRO HD2 H 3.44 0.02 2 585 428 58 PRO HD3 H 3.54 0.02 2 586 428 58 PRO C C 176.82 0.05 1 587 428 58 PRO CA C 60.27 0.3 1 588 428 58 PRO CB C 32.15 0.3 1 589 428 58 PRO CG C 27.14 0.3 1 590 428 58 PRO CD C 47.67 0.3 1 591 429 59 GLY H H 8.51 0.02 1 592 429 59 GLY HA2 H 4.19 0.02 2 593 429 59 GLY HA3 H 3.82 0.02 2 594 429 59 GLY C C 174.04 0.05 1 595 429 59 GLY CA C 43.41 0.3 1 596 429 59 GLY N N 109.25 0.1 1 597 430 60 ALA H H 8.48 0.02 1 598 430 60 ALA HA H 4.46 0.02 1 599 430 60 ALA HB H 1.39 0.02 1 600 430 60 ALA C C 178.53 0.05 1 601 430 60 ALA CA C 50.07 0.3 1 602 430 60 ALA CB C 16.77 0.3 1 603 430 60 ALA N N 126.16 0.1 1 604 431 61 SER H H 8.26 0.02 1 605 431 61 SER HA H 4.34 0.02 1 606 431 61 SER HB2 H 3.96 0.02 2 607 431 61 SER HB3 H 3.85 0.02 2 608 431 61 SER C C 176.17 0.05 1 609 431 61 SER CA C 57.21 0.3 1 610 431 61 SER CB C 61.15 0.3 1 611 431 61 SER N N 115.15 0.1 1 612 432 62 LYS H H 8.58 0.02 1 613 432 62 LYS HA H 4.18 0.02 1 614 432 62 LYS HB2 H 1.87 0.02 2 615 432 62 LYS HB3 H 1.90 0.02 2 616 432 62 LYS HG2 H 1.48 0.02 1 617 432 62 LYS HG3 H 1.48 0.02 1 618 432 62 LYS HD2 H 1.69 0.02 1 619 432 62 LYS HD3 H 1.69 0.02 1 620 432 62 LYS HE2 H 3.08 0.02 1 621 432 62 LYS HE3 H 3.08 0.02 1 622 432 62 LYS C C 177.94 0.05 1 623 432 62 LYS CA C 55.89 0.3 1 624 432 62 LYS CB C 29.80 0.3 1 625 432 62 LYS CG C 22.401 0.3 1 626 432 62 LYS CD C 26.80 0.3 1 627 432 62 LYS CE C 39.63 0.3 1 628 432 62 LYS N N 123.06 0.1 1 629 433 63 SER H H 8.07 0.02 1 630 433 63 SER HA H 4.45 0.02 1 631 433 63 SER HB2 H 3.93 0.02 2 632 433 63 SER HB3 H 3.95 0.02 2 633 433 63 SER C C 174.83 0.05 1 634 433 63 SER CA C 56.55 0.3 1 635 433 63 SER CB C 60.93 0.3 1 636 433 63 SER N N 114.05 0.1 1 637 434 64 ASN H H 8.16 0.02 1 638 434 64 ASN HA H 4.83 0.02 1 639 434 64 ASN HB2 H 2.88 0.02 2 640 434 64 ASN HB3 H 3.11 0.02 2 641 434 64 ASN HD21 H 7.43 0.02 2 642 434 64 ASN HD22 H 7.05 0.02 2 643 434 64 ASN C C 175.68 0.05 1 644 434 64 ASN CA C 51.64 0.3 1 645 434 64 ASN CB C 36.42 0.3 1 646 434 64 ASN N N 119.00 0.1 1 647 434 64 ASN ND2 N 113.32 0.1 1 648 435 65 LYS H H 8.15 0.02 1 649 435 65 LYS HA H 4.99 0.02 1 650 435 65 LYS HB2 H 1.69 0.02 2 651 435 65 LYS HB3 H 1.77 0.02 2 652 435 65 LYS HG2 H 1.01 0.02 2 653 435 65 LYS HG3 H 1.16 0.02 2 654 435 65 LYS HD2 H 1.54 0.02 1 655 435 65 LYS HD3 H 1.54 0.02 1 656 435 65 LYS HE2 H 2.67 0.02 1 657 435 65 LYS HE3 H 2.67 0.02 1 658 435 65 LYS C C 175.40 0.05 1 659 435 65 LYS CA C 53.62 0.3 1 660 435 65 LYS CB C 31.04 0.3 1 661 435 65 LYS CG C 22.01 0.3 1 662 435 65 LYS CD C 26.97 0.3 1 663 435 65 LYS CE C 39.60 0.3 1 664 435 65 LYS N N 123.71 0.1 1 665 436 66 LEU H H 8.34 0.02 1 666 436 66 LEU HA H 4.58 0.02 1 667 436 66 LEU HB2 H 1.30 0.02 2 668 436 66 LEU HB3 H 1.36 0.02 2 669 436 66 LEU HG H 1.14 0.02 1 670 436 66 LEU HD1 H 0.69 0.02 1 671 436 66 LEU HD2 H -0.07 0.02 1 672 436 66 LEU C C 175.70 0.05 1 673 436 66 LEU CA C 51.15 0.3 1 674 436 66 LEU CB C 43.64 0.3 1 675 436 66 LEU CG C 24.47 0.3 1 676 436 66 LEU CD1 C 20.10 0.3 1 677 436 66 LEU CD2 C 22.17 0.3 1 678 436 66 LEU N N 123.43 0.1 1 679 437 67 ARG H H 8.35 0.02 1 680 437 67 ARG HA H 5.50 0.02 1 681 437 67 ARG HB2 H 1.80 0.02 2 682 437 67 ARG HB3 H 1.96 0.02 2 683 437 67 ARG HG2 H 1.32 0.02 2 684 437 67 ARG HG3 H 1.79 0.02 2 685 437 67 ARG HD2 H 2.72 0.02 2 686 437 67 ARG HD3 H 3.01 0.02 2 687 437 67 ARG C C 175.95 0.05 1 688 437 67 ARG CA C 52.34 0.3 1 689 437 67 ARG CB C 30.74 0.3 1 690 437 67 ARG CG C 21.51 0.3 1 691 437 67 ARG CD C 40.92 0.3 1 692 437 67 ARG N N 117.28 0.1 1 693 438 68 THR H H 8.57 0.02 1 694 438 68 THR HA H 4.53 0.02 1 695 438 68 THR HB H 4.53 0.02 1 696 438 68 THR HG2 H 0.68 0.02 1 697 438 68 THR C C 175.84 0.05 1 698 438 68 THR CA C 58.42 0.3 1 699 438 68 THR CB C 70.41 0.3 1 700 438 68 THR CG2 C 16.98 0.3 1 701 438 68 THR N N 110.43 0.1 1 702 439 69 LYS H H 9.94 0.02 1 703 439 69 LYS HA H 4.34 0.02 1 704 439 69 LYS HB2 H 1.74 0.02 2 705 439 69 LYS HB3 H 1.95 0.02 2 706 439 69 LYS HG2 H 1.59 0.02 2 707 439 69 LYS HG3 H 1.71 0.02 2 708 439 69 LYS HD2 H 1.44 0.02 2 709 439 69 LYS HD3 H 1.59 0.02 2 710 439 69 LYS HE2 H 3.02 0.02 1 711 439 69 LYS HE3 H 3.02 0.02 1 712 439 69 LYS C C 177.61 0.05 1 713 439 69 LYS CA C 54.59 0.3 1 714 439 69 LYS CB C 30.39 0.3 1 715 439 69 LYS CG C 22.45 0.3 1 716 439 69 LYS CD C 26.27 0.3 1 717 439 69 LYS CE C 39.64 0.3 1 718 439 69 LYS N N 121.21 0.1 1 719 440 70 THR H H 8.86 0.02 1 720 440 70 THR HA H 4.21 0.02 1 721 440 70 THR HB H 3.84 0.02 1 722 440 70 THR HG2 H 0.93 0.02 1 723 440 70 THR C C 175.10 0.05 1 724 440 70 THR CA C 59.87 0.3 1 725 440 70 THR CB C 67.75 0.3 1 726 440 70 THR CG2 C 22.011 0.3 1 727 440 70 THR N N 121.16 0.1 1 728 441 71 LEU H H 8.51 0.02 1 729 441 71 LEU HA H 4.63 0.02 1 730 441 71 LEU HB2 H 1.26 0.02 2 731 441 71 LEU HB3 H 1.36 0.02 2 732 441 71 LEU HG H 1.12 0.02 1 733 441 71 LEU HD1 H 0.77 0.02 2 734 441 71 LEU HD2 H 0.11 0.02 2 735 441 71 LEU C C 174.95 0.05 1 736 441 71 LEU CA C 50.45 0.3 1 737 441 71 LEU CB C 40.48 0.3 1 738 441 71 LEU CG C 22.338 0.3 1 739 441 71 LEU CD1 C 20.63 0.3 1 740 441 71 LEU CD2 C 22.455 0.3 1 741 441 71 LEU N N 130.82 0.1 1 742 442 72 ARG H H 7.93 0.02 1 743 442 72 ARG HA H 4.91 0.02 1 744 442 72 ARG HB2 H 1.62 0.02 2 745 442 72 ARG HB3 H 1.64 0.02 2 746 442 72 ARG HG2 H 1.64 0.02 2 747 442 72 ARG HG3 H 1.38 0.02 2 748 442 72 ARG HD2 H 3.03 0.02 1 749 442 72 ARG HD3 H 3.04 0.02 1 750 442 72 ARG C C 177.57 0.05 1 751 442 72 ARG CA C 52.24 0.3 1 752 442 72 ARG CB C 28.90 0.3 1 753 442 72 ARG CG C 25.19 0.3 1 754 442 72 ARG CD C 40.14 0.3 1 755 442 72 ARG N N 116.15 0.1 1 756 443 73 ASN H H 9.27 0.02 1 757 443 73 ASN HA H 4.17 0.02 1 758 443 73 ASN HB2 H 2.65 0.02 2 759 443 73 ASN HB3 H 3.04 0.02 2 760 443 73 ASN HD21 H 6.86 0.02 2 761 443 73 ASN HD22 H 6.51 0.02 2 762 443 73 ASN C C 175.70 0.05 1 763 443 73 ASN CA C 51.36 0.3 1 764 443 73 ASN CB C 34.48 0.3 1 765 443 73 ASN N N 118.93 0.1 1 766 443 73 ASN ND2 N 113.08 0.1 1 767 444 74 THR H H 8.89 0.02 1 768 444 74 THR HA H 4.46 0.02 1 769 444 74 THR HB H 4.09 0.02 1 770 444 74 THR HG2 H 0.94 0.02 1 771 444 74 THR C C 180.98 0.05 1 772 444 74 THR CA C 58.21 0.3 1 773 444 74 THR CB C 66.27 0.3 1 774 444 74 THR CG2 C 21.35 0.3 1 775 444 74 THR N N 112.23 0.1 1 776 445 75 ARG H H 8.69 0.02 1 777 445 75 ARG HA H 4.22 0.02 1 778 445 75 ARG HB2 H 1.39 0.02 2 779 445 75 ARG HB3 H 2.24 0.02 2 780 445 75 ARG HG2 H 1.13 0.02 2 781 445 75 ARG HG3 H 1.53 0.02 2 782 445 75 ARG C C 174.69 0.05 1 783 445 75 ARG CA C 52.20 0.3 1 784 445 75 ARG CB C 28.99 0.3 1 785 445 75 ARG CG C 24.96 0.3 1 786 445 75 ARG N N 122.19 0.1 1 787 446 76 ASN H H 8.60 0.02 1 788 446 76 ASN HA H 5.43 0.02 1 789 446 76 ASN HB2 H 2.37 0.02 2 790 446 76 ASN HB3 H 2.69 0.02 2 791 446 76 ASN HD21 H 7.56 0.02 2 792 446 76 ASN HD22 H 7.13 0.02 2 793 446 76 ASN C C 175.31 0.05 1 794 446 76 ASN CA C 48.98 0.3 1 795 446 76 ASN CB C 38.69 0.3 1 796 446 76 ASN N N 117.74 0.1 1 797 446 76 ASN ND2 N 118.31 0.1 1 798 447 77 PRO HA H 3.73 0.02 1 799 447 77 PRO C C 174.98 0.05 1 800 447 77 PRO CA C 59.95 0.3 1 801 447 77 PRO CB C 30.54 0.3 1 802 447 77 PRO CG C 27.25 0.3 1 803 447 77 PRO CD C 47.86 0.3 1 804 448 78 VAL H H 7.38 0.02 1 805 448 78 VAL HA H 4.11 0.02 1 806 448 78 VAL HB H 1.91 0.02 1 807 448 78 VAL HG1 H 0.82 0.02 1 808 448 78 VAL HG2 H 0.81 0.02 1 809 448 78 VAL C C 175.26 0.05 1 810 448 78 VAL CA C 59.29 0.3 1 811 448 78 VAL CB C 30.12 0.3 1 812 448 78 VAL CG1 C 17.78 0.3 1 813 448 78 VAL CG2 C 18.25 0.3 1 814 448 78 VAL N N 119.46 0.1 1 815 449 79 TRP H H 8.01 0.02 1 816 449 79 TRP HA H 4.52 0.02 1 817 449 79 TRP HB2 H 3.08 0.02 2 818 449 79 TRP HB3 H 3.27 0.02 2 819 449 79 TRP HD1 H 7.08 0.02 1 820 449 79 TRP HE1 H 9.54 0.02 1 821 449 79 TRP HE3 H 7.40 0.02 1 822 449 79 TRP C C 176.63 0.05 1 823 449 79 TRP CA C 59.67 0.3 1 824 449 79 TRP CB C 27.10 0.3 1 825 449 79 TRP N N 124.34 0.1 1 826 449 79 TRP NE1 N 129.14 0.1 1 827 450 80 ASN H H 8.94 0.02 1 828 450 80 ASN HA H 4.36 0.02 1 829 450 80 ASN HB2 H 2.66 0.02 2 830 450 80 ASN HB3 H 3.00 0.02 2 831 450 80 ASN HD21 H 7.34 0.02 2 832 450 80 ASN HD22 H 6.58 0.02 2 833 450 80 ASN C C 174.42 0.05 1 834 450 80 ASN CA C 51.86 0.3 1 835 450 80 ASN CB C 35.58 0.3 1 836 450 80 ASN N N 117.83 0.1 1 837 450 80 ASN ND2 N 112.74 0.1 1 838 451 81 GLU H H 8.19 0.02 1 839 451 81 GLU HA H 4.75 0.02 1 840 451 81 GLU HB2 H 1.74 0.02 2 841 451 81 GLU HB3 H 1.87 0.02 2 842 451 81 GLU HG2 H 2.06 0.02 2 843 451 81 GLU HG3 H 2.36 0.02 2 844 451 81 GLU C C 175.26 0.05 1 845 451 81 GLU CA C 53.31 0.3 1 846 451 81 GLU CB C 32.01 0.3 1 847 451 81 GLU CG C 34.39 0.3 1 848 451 81 GLU N N 118.37 0.1 1 849 452 82 THR H H 9.07 0.02 1 850 452 82 THR HA H 3.89 0.02 1 851 452 82 THR HB H 3.90 0.02 1 852 452 82 THR HG2 H 0.93 0.02 1 853 452 82 THR C C 173.27 0.05 1 854 452 82 THR CA C 61.52 0.3 1 855 452 82 THR CB C 66.76 0.3 1 856 452 82 THR CG2 C 18.789 0.3 1 857 452 82 THR N N 122.54 0.1 1 858 453 83 LEU H H 9.07 0.02 1 859 453 83 LEU HA H 4.63 0.02 1 860 453 83 LEU HB2 H 1.28 0.02 2 861 453 83 LEU HB3 H 1.43 0.02 2 862 453 83 LEU HG H 1.42 0.02 1 863 453 83 LEU HD1 H 0.69 0.02 2 864 453 83 LEU HD2 H 0.52 0.02 2 865 453 83 LEU C C 175.36 0.05 1 866 453 83 LEU CA C 50.59 0.3 1 867 453 83 LEU CB C 41.00 0.3 1 868 453 83 LEU CG C 24.90 0.3 1 869 453 83 LEU CD1 C 20.99 0.3 1 870 453 83 LEU CD2 C 22.66 0.3 1 871 453 83 LEU N N 131.25 0.1 1 872 454 84 GLN H H 8.42 0.02 1 873 454 84 GLN HA H 5.19 0.02 1 874 454 84 GLN HB2 H 1.81 0.02 2 875 454 84 GLN HB3 H 1.98 0.02 2 876 454 84 GLN HG2 H 1.63 0.02 1 877 454 84 GLN HG3 H 1.63 0.02 1 878 454 84 GLN HE21 H 6.72 0.02 2 879 454 84 GLN HE22 H 7.32 0.02 2 880 454 84 GLN C C 174.11 0.05 1 881 454 84 GLN CA C 51.95 0.3 1 882 454 84 GLN CB C 31.53 0.3 1 883 454 84 GLN CG C 30.20 0.3 1 884 454 84 GLN N N 119.59 0.1 1 885 454 84 GLN NE2 N 110.50 0.1 1 886 455 85 TYR H H 8.79 0.02 1 887 455 85 TYR HA H 4.53 0.02 1 888 455 85 TYR HB2 H 2.63 0.02 2 889 455 85 TYR HB3 H 3.04 0.02 2 890 455 85 TYR HD1 H 6.92 0.02 1 891 455 85 TYR HD2 H 6.96 0.02 1 892 455 85 TYR HE1 H 6.47 0.02 1 893 455 85 TYR HE2 H 6.43 0.02 1 894 455 85 TYR C C 175.68 0.05 1 895 455 85 TYR CA C 55.10 0.3 1 896 455 85 TYR CB C 38.27 0.3 1 897 455 85 TYR N N 121.15 0.1 1 898 456 86 HIS H H 8.92 0.02 1 899 456 86 HIS HA H 5.41 0.02 1 900 456 86 HIS HB2 H 3.10 0.02 2 901 456 86 HIS HB3 H 3.32 0.02 2 902 456 86 HIS HD1 H 7.28 0.02 1 903 456 86 HIS HD2 H 7.28 0.02 1 904 456 86 HIS HE1 H 7.63 0.02 1 905 456 86 HIS C C 174.66 0.05 1 906 456 86 HIS CA C 51.35 0.3 1 907 456 86 HIS CB C 27.97 0.3 1 908 456 86 HIS N N 120.76 0.1 1 909 457 87 GLY H H 8.90 0.02 1 910 457 87 GLY HA2 H 3.79 0.02 2 911 457 87 GLY HA3 H 4.01 0.02 2 912 457 87 GLY C C 174.49 0.05 1 913 457 87 GLY CA C 43.98 0.3 1 914 457 87 GLY N N 112.09 0.1 1 915 458 88 ILE H H 7.88 0.02 1 916 458 88 ILE HA H 4.40 0.02 1 917 458 88 ILE HB H 1.71 0.02 1 918 458 88 ILE HG12 H 1.15 0.02 1 919 458 88 ILE HG13 H 1.18 0.02 1 920 458 88 ILE HG2 H 0.66 0.02 1 921 458 88 ILE HD1 H 0.44 0.02 1 922 458 88 ILE C C 176.23 0.05 1 923 458 88 ILE CA C 55.42 0.3 1 924 458 88 ILE CB C 34.78 0.3 1 925 458 88 ILE CG1 C 24.77 0.3 1 926 458 88 ILE CG2 C 14.34 0.3 1 927 458 88 ILE CD1 C 7.29 0.3 1 928 458 88 ILE N N 121.07 0.1 1 929 459 89 THR H H 9.01 0.02 1 930 459 89 THR HA H 4.72 0.02 1 931 459 89 THR HB H 4.60 0.02 1 932 459 89 THR C C 175.67 0.05 1 933 459 89 THR CA C 58.46 0.3 1 934 459 89 THR CB C 70.03 0.3 1 935 459 89 THR N N 120.56 0.1 1 936 460 90 GLU H H 9.02 0.02 1 937 460 90 GLU HA H 3.88 0.02 1 938 460 90 GLU HB2 H 2.00 0.02 2 939 460 90 GLU HB3 H 2.07 0.02 2 940 460 90 GLU HG2 H 2.38 0.02 1 941 460 90 GLU HG3 H 2.38 0.02 1 942 460 90 GLU C C 179.34 0.05 1 943 460 90 GLU CA C 57.00 0.3 1 944 460 90 GLU CB C 26.31 0.3 1 945 460 90 GLU CG C 33.08 0.3 1 946 460 90 GLU N N 120.49 0.1 1 947 461 91 GLU H H 8.10 0.02 1 948 461 91 GLU HA H 3.90 0.02 1 949 461 91 GLU HB2 H 1.79 0.02 2 950 461 91 GLU HB3 H 1.92 0.02 2 951 461 91 GLU HG2 H 2.20 0.02 2 952 461 91 GLU HG3 H 2.22 0.02 2 953 461 91 GLU C C 179.22 0.05 1 954 461 91 GLU CA C 56.97 0.3 1 955 461 91 GLU CB C 26.65 0.3 1 956 461 91 GLU CG C 33.83 0.3 1 957 461 91 GLU N N 118.67 0.1 1 958 462 92 ASP H H 7.59 0.02 1 959 462 92 ASP HA H 4.13 0.02 1 960 462 92 ASP HB2 H 2.03 0.02 2 961 462 92 ASP HB3 H 3.10 0.02 2 962 462 92 ASP C C 178.71 0.05 1 963 462 92 ASP CA C 54.93 0.3 1 964 462 92 ASP CB C 38.69 0.3 1 965 462 92 ASP N N 120.07 0.1 1 966 463 93 MET H H 7.55 0.02 1 967 463 93 MET HA H 3.99 0.02 1 968 463 93 MET HB2 H 1.61 0.02 2 969 463 93 MET HB3 H 2.02 0.02 2 970 463 93 MET HG2 H 1.36 0.02 2 971 463 93 MET HG3 H 1.86 0.02 2 972 463 93 MET C C 177.62 0.05 1 973 463 93 MET CA C 53.02 0.3 1 974 463 93 MET CB C 26.82 0.3 1 975 463 93 MET CG C 29.17 0.3 1 976 463 93 MET N N 117.16 0.1 1 977 464 94 GLN H H 7.29 0.02 1 978 464 94 GLN HA H 3.91 0.02 1 979 464 94 GLN HB2 H 2.43 0.02 1 980 464 94 GLN HB3 H 2.43 0.02 1 981 464 94 GLN HG2 H 1.91 0.02 2 982 464 94 GLN HG3 H 2.07 0.02 2 983 464 94 GLN HE21 H 7.41 0.02 2 984 464 94 GLN HE22 H 6.88 0.02 2 985 464 94 GLN C C 178.31 0.05 1 986 464 94 GLN CA C 54.27 0.3 1 987 464 94 GLN CB C 26.57 0.3 1 988 464 94 GLN CG C 31.24 0.3 1 989 464 94 GLN N N 112.13 0.1 1 990 464 94 GLN NE2 N 113.32 0.1 1 991 465 95 ARG H H 7.51 0.02 1 992 465 95 ARG HA H 4.47 0.02 1 993 465 95 ARG HB2 H 1.74 0.02 2 994 465 95 ARG HB3 H 1.78 0.02 2 995 465 95 ARG HG2 H 1.60 0.02 2 996 465 95 ARG HG3 H 1.63 0.02 2 997 465 95 ARG HD2 H 3.07 0.02 1 998 465 95 ARG HD3 H 3.07 0.02 1 999 465 95 ARG C C 177.96 0.05 1 1000 465 95 ARG CA C 54.24 0.3 1 1001 465 95 ARG CB C 30.68 0.3 1 1002 465 95 ARG CG C 24.88 0.3 1 1003 465 95 ARG CD C 40.68 0.3 1 1004 465 95 ARG N N 115.36 0.1 1 1005 466 96 LYS H H 8.07 0.02 1 1006 466 96 LYS HA H 4.96 0.02 1 1007 466 96 LYS HB2 H 1.60 0.02 2 1008 466 96 LYS HB3 H 1.77 0.02 2 1009 466 96 LYS HG2 H 1.30 0.02 2 1010 466 96 LYS HG3 H 1.52 0.02 2 1011 466 96 LYS HD2 H 1.18 0.02 2 1012 466 96 LYS HD3 H 1.35 0.02 2 1013 466 96 LYS HE2 H 2.71 0.02 2 1014 466 96 LYS HE3 H 2.79 0.02 2 1015 466 96 LYS C C 176.45 0.05 1 1016 466 96 LYS CA C 54.91 0.3 1 1017 466 96 LYS CB C 32.44 0.3 1 1018 466 96 LYS CG C 24.82 0.3 1 1019 466 96 LYS CD C 27.25 0.3 1 1020 466 96 LYS CE C 39.93 0.3 1 1021 466 96 LYS N N 117.77 0.1 1 1022 467 97 THR H H 9.10 0.02 1 1023 467 97 THR HA H 4.58 0.02 1 1024 467 97 THR HB H 3.72 0.02 1 1025 467 97 THR HG2 H 0.90 0.02 1 1026 467 97 THR C C 172.13 0.05 1 1027 467 97 THR CA C 59.60 0.3 1 1028 467 97 THR CB C 69.97 0.3 1 1029 467 97 THR CG2 C 18.93 0.3 1 1030 467 97 THR N N 117.66 0.1 1 1031 468 98 LEU H H 9.04 0.02 1 1032 468 98 LEU HA H 4.84 0.02 1 1033 468 98 LEU HB2 H 1.16 0.02 2 1034 468 98 LEU HB3 H 1.91 0.02 2 1035 468 98 LEU HG H 1.29 0.02 1 1036 468 98 LEU HD1 H 0.75 0.02 2 1037 468 98 LEU HD2 H 0.76 0.02 2 1038 468 98 LEU C C 174.35 0.05 1 1039 468 98 LEU CA C 50.79 0.3 1 1040 468 98 LEU CB C 42.56 0.3 1 1041 468 98 LEU CD1 C 24.62 0.3 1 1042 468 98 LEU CD2 C 21.51 0.3 1 1043 468 98 LEU N N 126.31 0.1 1 1044 469 99 ARG H H 9.25 0.02 1 1045 469 99 ARG HA H 4.77 0.02 1 1046 469 99 ARG HB2 H 1.37 0.02 2 1047 469 99 ARG HB3 H 1.46 0.02 2 1048 469 99 ARG HG2 H 1.39 0.02 1 1049 469 99 ARG HG3 H 1.39 0.02 1 1050 469 99 ARG HD2 H 2.88 0.02 2 1051 469 99 ARG HD3 H 3.02 0.02 2 1052 469 99 ARG C C 174.65 0.05 1 1053 469 99 ARG CA C 52.73 0.3 1 1054 469 99 ARG CB C 30.03 0.3 1 1055 469 99 ARG CG C 24.85 0.3 1 1056 469 99 ARG CD C 41.66 0.3 1 1057 469 99 ARG N N 129.25 0.1 1 1058 470 100 ILE H H 8.78 0.02 1 1059 470 100 ILE HA H 4.48 0.02 1 1060 470 100 ILE HB H 1.33 0.02 1 1061 470 100 ILE HG12 H 1.07 0.02 2 1062 470 100 ILE HG13 H 1.37 0.02 2 1063 470 100 ILE HD1 H 0.11 0.02 1 1064 470 100 ILE C C 174.81 0.05 1 1065 470 100 ILE CA C 58.55 0.3 1 1066 470 100 ILE CB C 36.40 0.3 1 1067 470 100 ILE CG1 C 24.65 0.3 1 1068 470 100 ILE CD1 C 15.28 0.3 1 1069 470 100 ILE N N 129.86 0.1 1 1070 471 101 SER H H 9.01 0.02 1 1071 471 101 SER HA H 5.11 0.02 1 1072 471 101 SER HB2 H 3.65 0.02 2 1073 471 101 SER HB3 H 3.78 0.02 2 1074 471 101 SER C C 172.61 0.05 1 1075 471 101 SER CA C 54.96 0.3 1 1076 471 101 SER CB C 62.42 0.3 1 1077 471 101 SER N N 120.20 0.1 1 1078 472 102 VAL H H 9.13 0.02 1 1079 472 102 VAL HA H 4.53 0.02 1 1080 472 102 VAL HB H 1.82 0.02 1 1081 472 102 VAL HG1 H 0.79 0.02 1 1082 472 102 VAL HG2 H 0.93 0.02 1 1083 472 102 VAL C C 175.21 0.05 1 1084 472 102 VAL CA C 58.81 0.3 1 1085 472 102 VAL CB C 28.89 0.3 1 1086 472 102 VAL CG1 C 20.28 0.3 1 1087 472 102 VAL CG2 C 19.17 0.3 1 1088 472 102 VAL N N 124.42 0.1 1 1089 473 103 CYS H H 8.75 0.02 1 1090 473 103 CYS HA H 4.74 0.02 1 1091 473 103 CYS HB2 H 1.10 0.02 2 1092 473 103 CYS HB3 H 2.26 0.02 2 1093 473 103 CYS C C 180.98 0.05 1 1094 473 103 CYS CA C 54.93 0.3 1 1095 473 103 CYS CB C 29.29 0.3 1 1096 473 103 CYS N N 125.69 0.1 1 1097 474 104 ASP H H 9.16 0.02 1 1098 474 104 ASP HA H 4.88 0.02 1 1099 474 104 ASP HB2 H 2.27 0.02 2 1100 474 104 ASP HB3 H 2.46 0.02 2 1101 474 104 ASP C C 174.73 0.05 1 1102 474 104 ASP CA C 48.82 0.3 1 1103 474 104 ASP CB C 42.33 0.3 1 1104 474 104 ASP N N 119.20 0.1 1 1105 475 105 GLU H H 9.49 0.02 1 1106 475 105 GLU HA H 4.59 0.02 1 1107 475 105 GLU HB2 H 2.18 0.02 1 1108 475 105 GLU HB3 H 2.18 0.02 1 1109 475 105 GLU HG2 H 2.37 0.02 1 1110 475 105 GLU HG3 H 2.37 0.02 1 1111 475 105 GLU CA C 54.89 0.3 1 1112 475 105 GLU CB C 29.00 0.3 1 1113 475 105 GLU N N 128.05 0.1 1 1114 476 106 ASP H H 8.50 0.02 1 1115 476 106 ASP HA H 5.27 0.02 1 1116 476 106 ASP HB2 H 2.66 0.02 2 1117 476 106 ASP HB3 H 3.00 0.02 2 1118 476 106 ASP C C 174.73 0.05 1 1119 476 106 ASP CA C 49.90 0.3 1 1120 476 106 ASP CB C 39.45 0.3 1 1121 476 106 ASP N N 117.79 0.1 1 1122 477 107 LYS H H 8.03 0.02 1 1123 477 107 LYS HA H 4.02 0.02 1 1124 477 107 LYS HB2 H 1.10 0.02 2 1125 477 107 LYS HB3 H 1.43 0.02 2 1126 477 107 LYS HG2 H 1.00 0.02 2 1127 477 107 LYS HG3 H 1.36 0.02 2 1128 477 107 LYS HD2 H 1.50 0.02 1 1129 477 107 LYS HD3 H 1.50 0.02 1 1130 477 107 LYS HE2 H 2.73 0.02 1 1131 477 107 LYS HE3 H 2.73 0.02 1 1132 477 107 LYS C C 177.32 0.05 1 1133 477 107 LYS CA C 54.67 0.3 1 1134 477 107 LYS CB C 30.60 0.3 1 1135 477 107 LYS CG C 22.176 0.3 1 1136 477 107 LYS CD C 26.53 0.3 1 1137 477 107 LYS CE C 40.96 0.3 1 1138 477 107 LYS N N 118.81 0.1 1 1139 478 108 PHE H H 8.61 0.02 1 1140 478 108 PHE HA H 4.35 0.02 1 1141 478 108 PHE HB2 H 3.00 0.02 2 1142 478 108 PHE HB3 H 3.33 0.02 2 1143 478 108 PHE HD1 H 7.20 0.02 1 1144 478 108 PHE HD2 H 7.20 0.02 1 1145 478 108 PHE HE1 H 7.37 0.02 1 1146 478 108 PHE HE2 H 7.37 0.02 1 1147 478 108 PHE C C 176.72 0.05 1 1148 478 108 PHE CA C 56.33 0.3 1 1149 478 108 PHE CB C 34.05 0.3 1 1150 478 108 PHE N N 116.36 0.1 1 1151 479 109 GLY H H 8.40 0.02 1 1152 479 109 GLY HA2 H 3.71 0.02 2 1153 479 109 GLY HA3 H 3.97 0.02 2 1154 479 109 GLY C C 174.71 0.05 1 1155 479 109 GLY CA C 43.17 0.3 1 1156 479 109 GLY N N 106.90 0.1 1 1157 480 110 HIS H H 7.56 0.02 1 1158 480 110 HIS HA H 4.80 0.02 1 1159 480 110 HIS HB2 H 3.17 0.02 2 1160 480 110 HIS HB3 H 3.33 0.02 2 1161 480 110 HIS HD1 H 7.38 0.02 1 1162 480 110 HIS HD2 H 7.38 0.02 1 1163 480 110 HIS HE1 H 8.06 0.02 1 1164 480 110 HIS C C 173.47 0.05 1 1165 480 110 HIS CA C 52.31 0.3 1 1166 480 110 HIS CB C 26.90 0.3 1 1167 480 110 HIS N N 118.97 0.1 1 1168 481 111 ASN H H 8.48 0.02 1 1169 481 111 ASN HA H 5.26 0.02 1 1170 481 111 ASN HB2 H 2.55 0.02 2 1171 481 111 ASN HB3 H 2.72 0.02 2 1172 481 111 ASN HD21 H 6.73 0.02 2 1173 481 111 ASN HD22 H 7.27 0.02 2 1174 481 111 ASN C C 174.42 0.05 1 1175 481 111 ASN CA C 50.33 0.3 1 1176 481 111 ASN CB C 40.01 0.3 1 1177 481 111 ASN N N 120.23 0.1 1 1178 481 111 ASN ND2 N 114.79 0.1 1 1179 482 112 GLU H H 8.93 0.02 1 1180 482 112 GLU HA H 4.68 0.02 1 1181 482 112 GLU HB2 H 1.91 0.02 2 1182 482 112 GLU HB3 H 1.99 0.02 2 1183 482 112 GLU HG2 H 2.07 0.02 2 1184 482 112 GLU HG3 H 2.41 0.02 2 1185 482 112 GLU C C 175.88 0.05 1 1186 482 112 GLU CA C 52.41 0.3 1 1187 482 112 GLU CB C 31.69 0.3 1 1188 482 112 GLU CG C 35.49 0.3 1 1189 482 112 GLU N N 118.77 0.1 1 1190 483 113 PHE H H 8.97 0.02 1 1191 483 113 PHE HA H 4.52 0.02 1 1192 483 113 PHE HB2 H 2.81 0.02 2 1193 483 113 PHE HB3 H 3.07 0.02 2 1194 483 113 PHE HD1 H 7.15 0.02 1 1195 483 113 PHE HD2 H 7.15 0.02 1 1196 483 113 PHE HE1 H 6.94 0.02 1 1197 483 113 PHE HE2 H 6.94 0.02 1 1198 483 113 PHE C C 175.08 0.05 1 1199 483 113 PHE CA C 56.40 0.3 1 1200 483 113 PHE CB C 38.05 0.3 1 1201 483 113 PHE N N 123.96 0.1 1 1202 484 114 ILE H H 8.78 0.02 1 1203 484 114 ILE HA H 3.95 0.02 1 1204 484 114 ILE HB H 1.42 0.02 1 1205 484 114 ILE HG2 H 0.83 0.02 1 1206 484 114 ILE HD1 H 0.66 0.02 1 1207 484 114 ILE C C 175.55 0.05 1 1208 484 114 ILE CA C 61.57 0.3 1 1209 484 114 ILE CB C 36.06 0.3 1 1210 484 114 ILE CG2 C 15.23 0.3 1 1211 484 114 ILE CD1 C 11.59 0.3 1 1212 484 114 ILE N N 124.25 0.1 1 1213 485 115 GLY H H 7.13 0.02 1 1214 485 115 GLY HA2 H 3.53 0.02 2 1215 485 115 GLY HA3 H 3.99 0.02 2 1216 485 115 GLY C C 180.65 0.05 1 1217 485 115 GLY CA C 43.82 0.3 1 1218 485 115 GLY N N 99.82 0.1 1 1219 486 116 GLU H H 9.69 0.02 1 1220 486 116 GLU HA H 5.74 0.02 1 1221 486 116 GLU HB2 H 1.78 0.02 2 1222 486 116 GLU HB3 H 2.22 0.02 2 1223 486 116 GLU HG2 H 1.99 0.02 2 1224 486 116 GLU HG3 H 2.12 0.02 2 1225 486 116 GLU C C 174.99 0.05 1 1226 486 116 GLU CA C 51.77 0.3 1 1227 486 116 GLU CB C 32.28 0.3 1 1228 486 116 GLU CG C 32.38 0.3 1 1229 486 116 GLU N N 117.48 0.1 1 1230 487 117 THR H H 8.83 0.02 1 1231 487 117 THR HA H 4.60 0.02 1 1232 487 117 THR HB H 4.00 0.02 1 1233 487 117 THR HG2 H 0.84 0.02 1 1234 487 117 THR C C 171.44 0.05 1 1235 487 117 THR CA C 59.03 0.3 1 1236 487 117 THR CB C 67.27 0.3 1 1237 487 117 THR CG2 C 16.331 0.3 1 1238 487 117 THR N N 113.05 0.1 1 1239 488 118 ARG H H 8.21 0.02 1 1240 488 118 ARG HA H 5.30 0.02 1 1241 488 118 ARG HB2 H 1.45 0.02 2 1242 488 118 ARG HB3 H 1.61 0.02 2 1243 488 118 ARG HG2 H 1.29 0.02 1 1244 488 118 ARG HG3 H 1.28 0.02 1 1245 488 118 ARG HD2 H 3.00 0.02 1 1246 488 118 ARG HD3 H 3.00 0.02 1 1247 488 118 ARG C C 175.48 0.05 1 1248 488 118 ARG CA C 52.01 0.3 1 1249 488 118 ARG CB C 30.46 0.3 1 1250 488 118 ARG CG C 25.19 0.3 1 1251 488 118 ARG CD C 41.37 0.3 1 1252 488 118 ARG N N 123.10 0.1 1 1253 489 119 PHE H H 9.07 0.02 1 1254 489 119 PHE HA H 4.72 0.02 1 1255 489 119 PHE HB2 H 2.72 0.02 1 1256 489 119 PHE HB3 H 2.72 0.02 1 1257 489 119 PHE HD1 H 6.92 0.02 1 1258 489 119 PHE HD2 H 6.92 0.02 1 1259 489 119 PHE HE1 H 7.08 0.02 1 1260 489 119 PHE HE2 H 7.07 0.02 1 1261 489 119 PHE C C 174.28 0.05 1 1262 489 119 PHE CA C 54.98 0.3 1 1263 489 119 PHE CB C 40.06 0.3 1 1264 489 119 PHE N N 123.94 0.1 1 1265 490 120 SER H H 8.23 0.02 1 1266 490 120 SER HA H 4.19 0.02 1 1267 490 120 SER HB2 H 3.54 0.02 1 1268 490 120 SER HB3 H 3.54 0.02 1 1269 490 120 SER C C 173.58 0.05 1 1270 490 120 SER CA C 56.26 0.3 1 1271 490 120 SER CB C 60.09 0.3 1 1272 490 120 SER N N 125.62 0.1 1 1273 491 121 LEU H H 7.42 0.02 1 1274 491 121 LEU HA H 3.86 0.02 1 1275 491 121 LEU HB2 H 1.63 0.02 2 1276 491 121 LEU HB3 H 1.98 0.02 2 1277 491 121 LEU HG H 1.54 0.02 1 1278 491 121 LEU HD1 H 0.87 0.02 2 1279 491 121 LEU HD2 H 0.65 0.02 2 1280 491 121 LEU C C 177.74 0.05 1 1281 491 121 LEU CA C 55.31 0.3 1 1282 491 121 LEU CB C 37.65 0.3 1 1283 491 121 LEU CG C 22.94 0.3 1 1284 491 121 LEU CD1 C 20.47 0.3 1 1285 491 121 LEU CD2 C 18.43 0.3 1 1286 491 121 LEU N N 127.15 0.1 1 1287 492 122 LYS H H 8.02 0.02 1 1288 492 122 LYS HA H 4.00 0.02 1 1289 492 122 LYS HB2 H 1.75 0.02 2 1290 492 122 LYS HB3 H 1.83 0.02 2 1291 492 122 LYS HG2 H 1.11 0.02 2 1292 492 122 LYS HG3 H 1.30 0.02 2 1293 492 122 LYS HD2 H 1.63 0.02 1 1294 492 122 LYS HD3 H 1.63 0.02 1 1295 492 122 LYS HE2 H 2.90 0.02 1 1296 492 122 LYS HE3 H 2.90 0.02 1 1297 492 122 LYS C C 177.31 0.05 1 1298 492 122 LYS CA C 55.40 0.3 1 1299 492 122 LYS CB C 28.90 0.3 1 1300 492 122 LYS CG C 20.74 0.3 1 1301 492 122 LYS CD C 26.94 0.3 1 1302 492 122 LYS CE C 39.24 0.3 1 1303 492 122 LYS N N 119.20 0.1 1 1304 493 123 LYS H H 7.49 0.02 1 1305 493 123 LYS HA H 4.13 0.02 1 1306 493 123 LYS HB2 H 1.74 0.02 2 1307 493 123 LYS HB3 H 2.00 0.02 2 1308 493 123 LYS HG2 H 1.28 0.02 1 1309 493 123 LYS HG3 H 1.28 0.02 1 1310 493 123 LYS HD2 H 1.60 0.02 1 1311 493 123 LYS HD3 H 1.60 0.02 1 1312 493 123 LYS HE2 H 2.88 0.02 1 1313 493 123 LYS HE3 H 2.88 0.02 1 1314 493 123 LYS C C 177.21 0.05 1 1315 493 123 LYS CA C 54.13 0.3 1 1316 493 123 LYS CB C 30.18 0.3 1 1317 493 123 LYS CG C 22.95 0.3 1 1318 493 123 LYS CD C 26.42 0.3 1 1319 493 123 LYS CE C 39.63 0.3 1 1320 493 123 LYS N N 117.21 0.1 1 1321 494 124 LEU H H 7.75 0.02 1 1322 494 124 LEU HA H 4.60 0.02 1 1323 494 124 LEU HB2 H 1.48 0.02 2 1324 494 124 LEU HB3 H 2.00 0.02 2 1325 494 124 LEU HG H 1.87 0.02 1 1326 494 124 LEU HD1 H 0.94 0.02 2 1327 494 124 LEU HD2 H 1.09 0.02 2 1328 494 124 LEU C C 175.92 0.05 1 1329 494 124 LEU CA C 51.73 0.3 1 1330 494 124 LEU CB C 41.04 0.3 1 1331 494 124 LEU CG C 24.02 0.3 1 1332 494 124 LEU CD1 C 23.82 0.3 1 1333 494 124 LEU CD2 C 22.78 0.3 1 1334 494 124 LEU N N 121.85 0.1 1 1335 495 125 LYS H H 8.82 0.02 1 1336 495 125 LYS HA H 4.49 0.02 1 1337 495 125 LYS HB2 H 1.74 0.02 2 1338 495 125 LYS HB3 H 1.80 0.02 2 1339 495 125 LYS HG2 H 1.07 0.02 1 1340 495 125 LYS HG3 H 1.08 0.02 1 1341 495 125 LYS HD2 H 1.50 0.02 2 1342 495 125 LYS HD3 H 1.68 0.02 2 1343 495 125 LYS HE2 H 3.05 0.02 2 1344 495 125 LYS HE3 H 3.22 0.02 2 1345 495 125 LYS C C 177.18 0.05 1 1346 495 125 LYS CA C 52.45 0.3 1 1347 495 125 LYS CB C 30.75 0.3 1 1348 495 125 LYS CG C 22.11 0.3 1 1349 495 125 LYS CD C 26.36 0.3 1 1350 495 125 LYS CE C 40.25 0.3 1 1351 495 125 LYS N N 125.47 0.1 1 1352 496 126 ALA H H 8.92 0.02 1 1353 496 126 ALA HA H 4.20 0.02 1 1354 496 126 ALA HB H 1.41 0.02 1 1355 496 126 ALA C C 177.69 0.05 1 1356 496 126 ALA CA C 51.44 0.3 1 1357 496 126 ALA CB C 16.69 0.3 1 1358 496 126 ALA N N 126.53 0.1 1 1359 497 127 ASN H H 9.33 0.02 1 1360 497 127 ASN HA H 4.17 0.02 1 1361 497 127 ASN HB2 H 3.02 0.02 1 1362 497 127 ASN HB3 H 3.02 0.02 1 1363 497 127 ASN HD21 H 7.58 0.02 2 1364 497 127 ASN HD22 H 7.01 0.02 2 1365 497 127 ASN C C 173.89 0.05 1 1366 497 127 ASN CA C 52.54 0.3 1 1367 497 127 ASN CB C 34.47 0.3 1 1368 497 127 ASN N N 114.05 0.1 1 1369 497 127 ASN ND2 N 114.51 0.1 1 1370 498 128 GLN H H 7.70 0.02 1 1371 498 128 GLN HA H 4.59 0.02 1 1372 498 128 GLN HB2 H 1.79 0.02 2 1373 498 128 GLN HB3 H 1.96 0.02 2 1374 498 128 GLN HG2 H 2.12 0.02 2 1375 498 128 GLN HG3 H 2.29 0.02 2 1376 498 128 GLN HE21 H 6.72 0.02 2 1377 498 128 GLN HE22 H 7.54 0.02 2 1378 498 128 GLN C C 175.14 0.05 1 1379 498 128 GLN CA C 52.14 0.3 1 1380 498 128 GLN CB C 28.08 0.3 1 1381 498 128 GLN CG C 30.92 0.3 1 1382 498 128 GLN N N 117.85 0.1 1 1383 498 128 GLN NE2 N 110.90 0.1 1 1384 499 129 ARG H H 9.08 0.02 1 1385 499 129 ARG HA H 4.62 0.02 1 1386 499 129 ARG HB2 H 1.69 0.02 1 1387 499 129 ARG HB3 H 1.69 0.02 1 1388 499 129 ARG HG2 H 1.27 0.02 2 1389 499 129 ARG HG3 H 1.42 0.02 2 1390 499 129 ARG HD2 H 3.14 0.02 1 1391 499 129 ARG HD3 H 3.14 0.02 1 1392 499 129 ARG C C 175.80 0.05 1 1393 499 129 ARG CA C 54.20 0.3 1 1394 499 129 ARG CB C 27.61 0.3 1 1395 499 129 ARG CG C 24.84 0.3 1 1396 499 129 ARG CD C 40.49 0.3 1 1397 499 129 ARG N N 131.25 0.1 1 1398 500 130 LYS H H 8.80 0.02 1 1399 500 130 LYS HA H 4.47 0.02 1 1400 500 130 LYS HB2 H 1.48 0.02 2 1401 500 130 LYS HB3 H 1.52 0.02 2 1402 500 130 LYS HG2 H 1.15 0.02 2 1403 500 130 LYS HG3 H 1.48 0.02 2 1404 500 130 LYS HD2 H 1.49 0.02 2 1405 500 130 LYS HD3 H 1.68 0.02 2 1406 500 130 LYS HE2 H 3.03 0.02 1 1407 500 130 LYS HE3 H 3.03 0.02 1 1408 500 130 LYS C C 173.64 0.05 1 1409 500 130 LYS CA C 52.09 0.3 1 1410 500 130 LYS CB C 33.45 0.3 1 1411 500 130 LYS CG C 22.01 0.3 1 1412 500 130 LYS CD C 26.34 0.3 1 1413 500 130 LYS CE C 39.85 0.3 1 1414 500 130 LYS N N 128.51 0.1 1 1415 501 131 ASN H H 8.30 0.02 1 1416 501 131 ASN HA H 4.48 0.02 1 1417 501 131 ASN HB2 H 2.42 0.02 2 1418 501 131 ASN HB3 H 2.60 0.02 2 1419 501 131 ASN HD21 H 7.40 0.02 2 1420 501 131 ASN HD22 H 6.82 0.02 2 1421 501 131 ASN C C 174.09 0.05 1 1422 501 131 ASN CA C 50.03 0.3 1 1423 501 131 ASN CB C 37.85 0.3 1 1424 501 131 ASN N N 123.31 0.1 1 1425 501 131 ASN ND2 N 113.38 0.1 1 1426 502 132 PHE H H 8.82 0.02 1 1427 502 132 PHE HA H 4.42 0.02 1 1428 502 132 PHE HB2 H 1.13 0.02 2 1429 502 132 PHE HB3 H 2.22 0.02 2 1430 502 132 PHE HD1 H 6.65 0.02 1 1431 502 132 PHE HD2 H 6.65 0.02 1 1432 502 132 PHE HE1 H 6.59 0.02 1 1433 502 132 PHE HE2 H 6.59 0.02 1 1434 502 132 PHE C C 175.09 0.05 1 1435 502 132 PHE CA C 54.59 0.3 1 1436 502 132 PHE CB C 40.07 0.3 1 1437 502 132 PHE N N 119.08 0.1 1 1438 503 133 ASN H H 8.50 0.02 1 1439 503 133 ASN HA H 5.20 0.02 1 1440 503 133 ASN HB2 H 2.55 0.02 2 1441 503 133 ASN HB3 H 2.87 0.02 2 1442 503 133 ASN HD21 H 6.34 0.02 2 1443 503 133 ASN HD22 H 7.29 0.02 2 1444 503 133 ASN C C 174.93 0.05 1 1445 503 133 ASN CA C 50.51 0.3 1 1446 503 133 ASN CB C 36.74 0.3 1 1447 503 133 ASN N N 121.88 0.1 1 1448 503 133 ASN ND2 N 131.29 0.1 1 1449 504 134 ILE H H 8.83 0.02 1 1450 504 134 ILE HA H 4.83 0.02 1 1451 504 134 ILE HB H 2.02 0.02 1 1452 504 134 ILE HG12 H 1.49 0.02 2 1453 504 134 ILE HG13 H 1.71 0.02 2 1454 504 134 ILE HG2 H 1.12 0.02 1 1455 504 134 ILE HD1 H 1.00 0.02 1 1456 504 134 ILE C C 175.85 0.05 1 1457 504 134 ILE CA C 55.79 0.3 1 1458 504 134 ILE CB C 40.58 0.3 1 1459 504 134 ILE CG1 C 25.53 0.3 1 1460 504 134 ILE CG2 C 16.83 0.3 1 1461 504 134 ILE CD1 C 11.38 0.3 1 1462 504 134 ILE N N 120.29 0.1 1 1463 505 135 CYS H H 8.73 0.02 1 1464 505 135 CYS HA H 4.68 0.02 1 1465 505 135 CYS HB2 H 2.91 0.02 1 1466 505 135 CYS HB3 H 3.04 0.02 1 1467 505 135 CYS C C 174.94 0.05 1 1468 505 135 CYS CA C 56.73 0.3 1 1469 505 135 CYS CB C 25.12 0.3 1 1470 505 135 CYS N N 122.83 0.1 1 1471 506 136 LEU H H 8.47 0.02 1 1472 506 136 LEU HA H 4.00 0.02 1 1473 506 136 LEU HB2 H 1.28 0.02 2 1474 506 136 LEU HB3 H 1.58 0.02 2 1475 506 136 LEU HG H 0.99 0.02 1 1476 506 136 LEU HD1 H 0.47 0.02 1 1477 506 136 LEU HD2 H 0.47 0.02 1 1478 506 136 LEU C C 175.80 0.05 1 1479 506 136 LEU CA C 52.63 0.3 1 1480 506 136 LEU CB C 40.67 0.3 1 1481 506 136 LEU CG C 23.93 0.3 1 1482 506 136 LEU CD1 C 22.60 0.3 1 1483 506 136 LEU CD2 C 22.61 0.3 1 1484 506 136 LEU N N 124.31 0.1 1 1485 507 137 GLU H H 9.15 0.02 1 1486 507 137 GLU HA H 4.79 0.02 1 1487 507 137 GLU HB2 H 1.98 0.02 2 1488 507 137 GLU HB3 H 2.14 0.02 2 1489 507 137 GLU HG2 H 2.27 0.02 2 1490 507 137 GLU HG3 H 2.38 0.02 2 1491 507 137 GLU C C 176.11 0.05 1 1492 507 137 GLU CA C 51.95 0.3 1 1493 507 137 GLU CB C 30.79 0.3 1 1494 507 137 GLU CG C 33.26 0.3 1 1495 507 137 GLU N N 118.85 0.1 1 1496 508 138 ARG H H 8.48 0.02 1 1497 508 138 ARG HA H 4.38 0.02 1 1498 508 138 ARG HB2 H 1.73 0.02 2 1499 508 138 ARG HB3 H 1.78 0.02 2 1500 508 138 ARG HG2 H 1.63 0.02 2 1501 508 138 ARG HG3 H 1.66 0.02 2 1502 508 138 ARG HD2 H 3.15 0.02 1 1503 508 138 ARG HD3 H 3.15 0.02 1 1504 508 138 ARG C C 175.90 0.05 1 1505 508 138 ARG CA C 53.63 0.3 1 1506 508 138 ARG CB C 28.63 0.3 1 1507 508 138 ARG CG C 24.91 0.3 1 1508 508 138 ARG CD C 40.94 0.3 1 1509 508 138 ARG N N 119.73 0.1 1 1510 509 139 VAL H H 8.38 0.02 1 1511 509 139 VAL HA H 3.86 0.02 1 1512 509 139 VAL HB H 1.69 0.02 1 1513 509 139 VAL HG1 H 0.62 0.02 1 1514 509 139 VAL HG2 H 0.48 0.02 1 1515 509 139 VAL C C 176.12 0.05 1 1516 509 139 VAL CA C 59.77 0.3 1 1517 509 139 VAL CB C 29.62 0.3 1 1518 509 139 VAL CG1 C 17.93 0.3 1 1519 509 139 VAL CG2 C 17.93 0.3 1 1520 509 139 VAL N N 121.97 0.1 1 1521 510 140 ILE H H 8.10 0.02 1 1522 510 140 ILE HA H 4.06 0.02 1 1523 510 140 ILE HB H 1.71 0.02 1 1524 510 140 ILE HG12 H 1.05 0.02 2 1525 510 140 ILE HG13 H 1.37 0.02 2 1526 510 140 ILE HG2 H 0.77 0.02 1 1527 510 140 ILE HD1 H 0.77 0.02 1 1528 510 140 ILE C C 176.20 0.05 1 1529 510 140 ILE CA C 58.30 0.3 1 1530 510 140 ILE CB C 36.25 0.3 1 1531 510 140 ILE CG1 C 24.59 0.3 1 1532 510 140 ILE CG2 C 14.55 0.3 1 1533 510 140 ILE CD1 C 9.98 0.3 1 1534 510 140 ILE N N 126.31 0.1 1 stop_ save_