data_7351 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR STRUCTURE OF HUMAN RTF1 PLUS3 DOMAIN. ; _BMRB_accession_number 7351 _BMRB_flat_file_name bmr7351.str _Entry_type original _Submission_date 2006-12-01 _Accession_date 2006-12-05 _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 Truffault V. . . 2 Diercks T. . . 3 Ab E. . . 4 'De Jong' R. N. . 5 Daniels M. . . 6 Kaptein R. . . 7 Folkers G. E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 886 "13C chemical shifts" 631 "15N chemical shifts" 157 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2007-10-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and DNA binding of the human Rtf1 Plus3 domain.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18184592 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Jong' R. N. . 2 Truffault V. . . 3 Diercks T. . . 4 Ab E. . . 5 Daniels M. A. . 6 Kaptein R. . . 7 Folkers G. E. . stop_ _Journal_abbreviation Structure _Journal_volume 16 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 149 _Page_last 159 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KIAA0252_PROTEIN _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label KIAA0252_PROTEIN $KIAA0252_PROTEIN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_KIAA0252_PROTEIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KIAA0252_PROTEIN _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MVSLPEELNRVRLSRHKLER WCHMPFFAKTVTGCFVRIGI GNHNSKPVYRVAEITGVVET AKVYQLGGTRTNKGLQLRHG NDQRVFRLEFVSNQEFTESE FMKWKEAMFSAGMQLPTLDE INKKELSIKEALN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -21 MET 2 -20 GLY 3 -19 SER 4 -18 SER 5 -17 HIS 6 -16 HIS 7 -15 HIS 8 -14 HIS 9 -13 HIS 10 -12 HIS 11 -11 SER 12 -10 SER 13 -9 GLY 14 -8 LEU 15 -7 VAL 16 -6 PRO 17 -5 ARG 18 -4 GLY 19 -3 SER 20 -2 HIS 21 -1 MET 22 345 VAL 23 346 SER 24 347 LEU 25 348 PRO 26 349 GLU 27 350 GLU 28 351 LEU 29 352 ASN 30 353 ARG 31 354 VAL 32 355 ARG 33 356 LEU 34 357 SER 35 358 ARG 36 359 HIS 37 360 LYS 38 361 LEU 39 362 GLU 40 363 ARG 41 364 TRP 42 365 CYS 43 366 HIS 44 367 MET 45 368 PRO 46 369 PHE 47 370 PHE 48 371 ALA 49 372 LYS 50 373 THR 51 374 VAL 52 375 THR 53 376 GLY 54 377 CYS 55 378 PHE 56 379 VAL 57 380 ARG 58 381 ILE 59 382 GLY 60 383 ILE 61 384 GLY 62 385 ASN 63 386 HIS 64 387 ASN 65 388 SER 66 389 LYS 67 390 PRO 68 391 VAL 69 392 TYR 70 393 ARG 71 394 VAL 72 395 ALA 73 396 GLU 74 397 ILE 75 398 THR 76 399 GLY 77 400 VAL 78 401 VAL 79 402 GLU 80 403 THR 81 404 ALA 82 405 LYS 83 406 VAL 84 407 TYR 85 408 GLN 86 409 LEU 87 410 GLY 88 411 GLY 89 412 THR 90 413 ARG 91 414 THR 92 415 ASN 93 416 LYS 94 417 GLY 95 418 LEU 96 419 GLN 97 420 LEU 98 421 ARG 99 422 HIS 100 423 GLY 101 424 ASN 102 425 ASP 103 426 GLN 104 427 ARG 105 428 VAL 106 429 PHE 107 430 ARG 108 431 LEU 109 432 GLU 110 433 PHE 111 434 VAL 112 435 SER 113 436 ASN 114 437 GLN 115 438 GLU 116 439 PHE 117 440 THR 118 441 GLU 119 442 SER 120 443 GLU 121 444 PHE 122 445 MET 123 446 LYS 124 447 TRP 125 448 LYS 126 449 GLU 127 450 ALA 128 451 MET 129 452 PHE 130 453 SER 131 454 ALA 132 455 GLY 133 456 MET 134 457 GLN 135 458 LEU 136 459 PRO 137 460 THR 138 461 LEU 139 462 ASP 140 463 GLU 141 464 ILE 142 465 ASN 143 466 LYS 144 467 LYS 145 468 GLU 146 469 LEU 147 470 SER 148 471 ILE 149 472 LYS 150 473 GLU 151 474 ALA 152 475 LEU 153 476 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-06-11 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 11330 "Plus-3 domain, Residues 8-143" 88.89 149 97.06 97.06 1.31e-91 PDB 2BZE "Nmr Structure Of Human Rtf1 Plus3 Domain" 100.00 153 100.00 100.00 6.51e-109 PDB 2DB9 "Solution Structure Of The Plus-3 Domain Of Human Kiaa0252 Protein" 88.89 149 97.06 97.06 1.31e-91 PDB 4L1P "Crystal Structure Of Human Rtf1 Plus3 Domain" 88.24 138 99.26 100.00 3.33e-94 PDB 4L1U "Crystal Structure Of Human Rtf1 Plus3 Domain In Complex With Spt5 Ctr Phosphopeptide" 88.24 138 99.26 100.00 3.33e-94 GB EAW92491 "Rtf1, Paf1/RNA polymerase II complex component, homolog (S. cerevisiae), isoform CRA_b, partial [Homo sapiens]" 54.90 412 98.81 100.00 1.77e-51 REF XP_004609643 "PREDICTED: RNA polymerase-associated protein RTF1 homolog [Sorex araneus]" 90.85 585 97.12 97.12 4.37e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $KIAA0252_PROTEIN HUMAN 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Cell_line _Vector_name _Details $KIAA0252_PROTEIN 'recombinant technology' . ESCHERICHIA COLI . RIL BL21(DE3) PET15B 'SELF MADE CDNA LIBRARY OF MULTIPLE HUMAN CARCINOMA CELL LINES' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '90% WATER/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KIAA0252_PROTEIN . mM '[U-13C; U-15N]' NaCl 150 mM . 'Na_2 HPO_4' 50 mM . 'NaH_2 PO_4' 50 mM . D2O 10 % . H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'A Brunger, P Adams, M Clore, P Gros, M Nilges and R Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address 'T Goddard' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA2.1 _Saveframe_category software _Name CYANA2.1 _Version . loop_ _Vendor _Address _Electronic_address 'P Guntert, C Mumenthaler and K Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DMX _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_HH-NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name HH-NOESY _Sample_label $sample save_ save_HNCACO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample save_ save_CBCACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample save_ save_HBHACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label $sample save_ save_HNCAHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCAHA _Sample_label $sample save_ save_CCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-COSY _Sample_label $sample save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.0 . pH pressure 1.0 . ATM temperature 298.0 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $citations $citations DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $citations $citations DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $citations $citations stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name KIAA0252_PROTEIN _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 -21 1 MET HB2 H 1.970 0.020 2 2 -21 1 MET HB3 H 1.970 0.020 2 3 -21 1 MET C C 175.120 0.400 1 4 -20 2 GLY H H 8.249 0.020 1 5 -20 2 GLY HA2 H 3.909 0.020 2 6 -20 2 GLY HA3 H 3.909 0.020 2 7 -20 2 GLY C C 172.070 0.400 1 8 -20 2 GLY CA C 42.720 0.400 1 9 -20 2 GLY N N 114.480 0.400 1 10 -19 3 SER H H 8.310 0.020 1 11 -19 3 SER HA H 4.417 0.020 1 12 -19 3 SER HB2 H 3.849 0.020 2 13 -19 3 SER HB3 H 3.849 0.020 2 14 -19 3 SER C C 172.130 0.400 1 15 -19 3 SER CA C 55.638 0.400 1 16 -19 3 SER CB C 61.340 0.400 1 17 -19 3 SER N N 115.488 0.400 1 18 -12 10 HIS HA H 4.600 0.020 1 19 -12 10 HIS HB2 H 3.100 0.020 2 20 -12 10 HIS HB3 H 3.100 0.020 2 21 -11 11 SER HA H 4.420 0.020 1 22 -11 11 SER HB2 H 3.824 0.020 2 23 -11 11 SER HB3 H 3.824 0.020 2 24 -11 11 SER C C 171.930 0.400 1 25 -11 11 SER CA C 55.859 0.400 1 26 -11 11 SER CB C 61.194 0.400 1 27 -10 12 SER H H 8.441 0.020 1 28 -10 12 SER HA H 4.400 0.020 1 29 -10 12 SER HB2 H 3.840 0.020 2 30 -10 12 SER HB3 H 3.840 0.020 2 31 -10 12 SER C C 172.260 0.400 1 32 -10 12 SER CA C 55.977 0.400 1 33 -10 12 SER CB C 61.181 0.400 1 34 -10 12 SER N N 118.160 0.400 1 35 -9 13 GLY H H 8.342 0.020 1 36 -9 13 GLY HA2 H 3.895 0.020 2 37 -9 13 GLY HA3 H 3.895 0.020 2 38 -9 13 GLY C C 171.100 0.400 1 39 -9 13 GLY CA C 42.615 0.400 1 40 -9 13 GLY N N 110.581 0.400 1 41 -8 14 LEU H H 8.011 0.020 1 42 -8 14 LEU HA H 4.295 0.020 1 43 -8 14 LEU HB2 H 1.532 0.020 2 44 -8 14 LEU HB3 H 1.493 0.020 2 45 -8 14 LEU HD1 H 0.775 0.020 2 46 -8 14 LEU HD2 H 0.823 0.020 2 47 -8 14 LEU HG H 1.490 0.020 1 48 -8 14 LEU C C 174.510 0.400 1 49 -8 14 LEU CA C 52.397 0.400 1 50 -8 14 LEU CB C 39.664 0.400 1 51 -8 14 LEU CD1 C 20.754 0.400 1 52 -8 14 LEU CD2 C 22.185 0.400 1 53 -8 14 LEU CG C 24.288 0.400 1 54 -8 14 LEU N N 121.648 0.400 1 55 -7 15 VAL H H 8.064 0.020 1 56 -7 15 VAL HA H 4.339 0.020 1 57 -7 15 VAL HB H 2.000 0.020 1 58 -7 15 VAL HG1 H 0.869 0.020 2 59 -7 15 VAL HG2 H 0.858 0.020 2 60 -7 15 VAL C C 171.690 0.400 1 61 -7 15 VAL CA C 57.050 0.400 1 62 -7 15 VAL CB C 29.968 0.400 1 63 -7 15 VAL CG1 C 18.214 0.400 1 64 -7 15 VAL CG2 C 17.738 0.400 1 65 -7 15 VAL N N 122.682 0.400 1 66 -6 16 PRO HA H 4.345 0.020 1 67 -6 16 PRO HB2 H 2.231 0.020 2 68 -6 16 PRO HB3 H 1.843 0.020 2 69 -6 16 PRO HD2 H 3.804 0.020 2 70 -6 16 PRO HD3 H 3.592 0.020 2 71 -6 16 PRO HG2 H 1.996 0.020 2 72 -6 16 PRO HG3 H 1.895 0.020 2 73 -6 16 PRO CA C 60.414 0.400 1 74 -6 16 PRO CB C 29.352 0.400 1 75 -6 16 PRO CD C 48.320 0.400 1 76 -6 16 PRO CG C 24.784 0.400 1 77 -5 17 ARG H H 8.438 0.020 1 78 -5 17 ARG HA H 4.109 0.020 1 79 -5 17 ARG HB2 H 1.763 0.020 2 80 -5 17 ARG HB3 H 1.719 0.020 2 81 -5 17 ARG HD2 H 3.127 0.020 2 82 -5 17 ARG HD3 H 3.127 0.020 2 83 -5 17 ARG HG2 H 1.571 0.020 2 84 -5 17 ARG HG3 H 1.600 0.020 2 85 -5 17 ARG C C 174.570 0.400 1 86 -5 17 ARG CA C 53.987 0.400 1 87 -5 17 ARG CB C 27.817 0.400 1 88 -5 17 ARG CD C 40.549 0.400 1 89 -5 17 ARG CG C 24.517 0.400 1 90 -5 17 ARG N N 121.851 0.400 1 91 -4 18 GLY H H 8.435 0.020 1 92 -4 18 GLY HA2 H 3.964 0.020 2 93 -4 18 GLY HA3 H 3.860 0.020 2 94 -4 18 GLY C C 171.270 0.400 1 95 -4 18 GLY CA C 42.992 0.400 1 96 -4 18 GLY N N 108.991 0.400 1 97 -3 19 SER H H 7.963 0.020 1 98 -3 19 SER HA H 4.452 0.020 1 99 -3 19 SER HB2 H 3.813 0.020 2 100 -3 19 SER HB3 H 3.754 0.020 2 101 -3 19 SER C C 171.530 0.400 1 102 -3 19 SER CA C 55.530 0.400 1 103 -3 19 SER CB C 61.269 0.400 1 104 -3 19 SER N N 113.934 0.400 1 105 -2 20 HIS H H 8.312 0.020 1 106 -2 20 HIS HA H 4.659 0.020 1 107 -2 20 HIS HB2 H 3.174 0.020 2 108 -2 20 HIS HB3 H 3.174 0.020 2 109 -2 20 HIS C C 171.910 0.400 1 110 -2 20 HIS CA C 52.788 0.400 1 111 -2 20 HIS CB C 27.541 0.400 1 112 -2 20 HIS N N 120.909 0.400 1 113 -1 21 MET H H 8.473 0.020 1 114 -1 21 MET HA H 4.557 0.020 1 115 -1 21 MET HB2 H 1.961 0.020 2 116 -1 21 MET HB3 H 1.961 0.020 2 117 -1 21 MET HE H 2.091 0.020 1 118 -1 21 MET HG2 H 2.527 0.020 2 119 -1 21 MET HG3 H 2.527 0.020 2 120 -1 21 MET C C 174.230 0.400 1 121 -1 21 MET CA C 53.070 0.400 1 122 -1 21 MET CB C 31.517 0.400 1 123 -1 21 MET CE C 14.760 0.400 1 124 -1 21 MET CG C 30.135 0.400 1 125 -1 21 MET N N 121.384 0.400 1 126 345 22 VAL H H 8.228 0.020 1 127 345 22 VAL HA H 3.931 0.020 1 128 345 22 VAL HB H 2.047 0.020 1 129 345 22 VAL HG1 H 1.110 0.020 2 130 345 22 VAL HG2 H 1.138 0.020 2 131 345 22 VAL C C 171.550 0.400 1 132 345 22 VAL CA C 60.583 0.400 1 133 345 22 VAL CB C 29.881 0.400 1 134 345 22 VAL CG1 C 19.758 0.400 1 135 345 22 VAL CG2 C 19.264 0.400 1 136 345 22 VAL N N 119.784 0.400 1 137 346 23 SER H H 10.207 0.020 1 138 346 23 SER HA H 4.722 0.020 1 139 346 23 SER HB2 H 3.973 0.020 2 140 346 23 SER HB3 H 3.766 0.020 2 141 346 23 SER C C 170.490 0.400 1 142 346 23 SER CA C 56.316 0.400 1 143 346 23 SER CB C 63.813 0.400 1 144 346 23 SER N N 118.984 0.400 1 145 347 24 LEU H H 8.037 0.020 1 146 347 24 LEU HA H 4.627 0.020 1 147 347 24 LEU HB2 H 1.617 0.020 2 148 347 24 LEU HB3 H 1.169 0.020 2 149 347 24 LEU HD1 H 0.764 0.020 2 150 347 24 LEU HD2 H 0.849 0.020 2 151 347 24 LEU HG H 1.597 0.020 1 152 347 24 LEU C C 172.270 0.400 1 153 347 24 LEU CA C 48.835 0.400 1 154 347 24 LEU CB C 42.524 0.400 1 155 347 24 LEU CD1 C 22.997 0.400 1 156 347 24 LEU CD2 C 20.327 0.400 1 157 347 24 LEU CG C 22.474 0.400 1 158 347 24 LEU N N 124.084 0.400 1 159 348 25 PRO HA H 3.349 0.020 1 160 348 25 PRO HB2 H 1.847 0.020 2 161 348 25 PRO HB3 H 1.712 0.020 2 162 348 25 PRO HD2 H 3.719 0.020 2 163 348 25 PRO HD3 H 3.193 0.020 2 164 348 25 PRO HG2 H 2.123 0.020 2 165 348 25 PRO HG3 H 1.623 0.020 2 166 348 25 PRO CA C 62.120 0.400 1 167 348 25 PRO CB C 27.680 0.400 1 168 348 25 PRO CD C 47.158 0.400 1 169 348 25 PRO CG C 24.553 0.400 1 170 349 26 GLU H H 8.782 0.020 1 171 349 26 GLU HA H 3.999 0.020 1 172 349 26 GLU HB2 H 1.903 0.020 2 173 349 26 GLU HB3 H 1.965 0.020 2 174 349 26 GLU HG2 H 2.146 0.020 2 175 349 26 GLU HG3 H 2.146 0.020 2 176 349 26 GLU C C 176.000 0.400 1 177 349 26 GLU CA C 56.829 0.400 1 178 349 26 GLU CB C 26.302 0.400 1 179 349 26 GLU CG C 33.615 0.400 1 180 349 26 GLU N N 115.229 0.400 1 181 350 27 GLU H H 6.969 0.020 1 182 350 27 GLU HA H 3.878 0.020 1 183 350 27 GLU HB2 H 1.621 0.020 2 184 350 27 GLU HB3 H 2.646 0.020 2 185 350 27 GLU HG2 H 2.233 0.020 2 186 350 27 GLU HG3 H 2.100 0.020 2 187 350 27 GLU C C 175.100 0.400 1 188 350 27 GLU CA C 55.510 0.400 1 189 350 27 GLU CB C 27.591 0.400 1 190 350 27 GLU CG C 33.796 0.400 1 191 350 27 GLU N N 117.280 0.400 1 192 351 28 LEU H H 6.550 0.020 1 193 351 28 LEU HA H 3.879 0.020 1 194 351 28 LEU HB2 H 1.077 0.020 2 195 351 28 LEU HB3 H 1.456 0.020 2 196 351 28 LEU HD1 H -0.464 0.020 2 197 351 28 LEU HD2 H -0.258 0.020 2 198 351 28 LEU HG H 1.065 0.020 1 199 351 28 LEU C C 176.450 0.400 1 200 351 28 LEU CA C 53.374 0.400 1 201 351 28 LEU CB C 40.257 0.400 1 202 351 28 LEU CD1 C 22.144 0.400 1 203 351 28 LEU CD2 C 19.757 0.400 1 204 351 28 LEU CG C 23.892 0.400 1 205 351 28 LEU N N 117.291 0.400 1 206 352 29 ASN H H 8.513 0.020 1 207 352 29 ASN HA H 4.376 0.020 1 208 352 29 ASN HB2 H 2.629 0.020 2 209 352 29 ASN HB3 H 2.823 0.020 2 210 352 29 ASN HD21 H 7.081 0.020 2 211 352 29 ASN HD22 H 6.732 0.020 2 212 352 29 ASN C C 174.890 0.400 1 213 352 29 ASN CA C 53.137 0.400 1 214 352 29 ASN CB C 36.452 0.400 1 215 352 29 ASN N N 114.850 0.400 1 216 352 29 ASN ND2 N 113.865 0.400 1 217 353 30 ARG H H 7.278 0.020 1 218 353 30 ARG HA H 4.079 0.020 1 219 353 30 ARG HB2 H 1.922 0.020 2 220 353 30 ARG HB3 H 1.824 0.020 2 221 353 30 ARG HD2 H 3.240 0.020 2 222 353 30 ARG HD3 H 3.217 0.020 2 223 353 30 ARG HE H 7.439 0.020 1 224 353 30 ARG HG2 H 2.022 0.020 2 225 353 30 ARG HG3 H 1.653 0.020 2 226 353 30 ARG C C 175.250 0.400 1 227 353 30 ARG CA C 56.823 0.400 1 228 353 30 ARG CB C 28.239 0.400 1 229 353 30 ARG CD C 41.311 0.400 1 230 353 30 ARG CG C 25.042 0.400 1 231 353 30 ARG N N 118.477 0.400 1 232 353 30 ARG NE N 112.286 0.400 1 233 354 31 VAL H H 7.249 0.020 1 234 354 31 VAL HA H 4.575 0.020 1 235 354 31 VAL HB H 2.878 0.020 1 236 354 31 VAL HG1 H 0.961 0.020 2 237 354 31 VAL HG2 H 1.043 0.020 2 238 354 31 VAL C C 170.240 0.400 1 239 354 31 VAL CA C 56.404 0.400 1 240 354 31 VAL CB C 28.203 0.400 1 241 354 31 VAL CG1 C 21.476 0.400 1 242 354 31 VAL CG2 C 17.643 0.400 1 243 354 31 VAL N N 106.666 0.400 1 244 355 32 ARG H H 7.032 0.020 1 245 355 32 ARG HA H 4.936 0.020 1 246 355 32 ARG HB2 H 1.795 0.020 2 247 355 32 ARG HB3 H 1.379 0.020 2 248 355 32 ARG HD2 H 2.682 0.020 2 249 355 32 ARG HD3 H 1.657 0.020 2 250 355 32 ARG HE H 6.889 0.020 1 251 355 32 ARG HG2 H 2.680 0.020 2 252 355 32 ARG HG3 H 1.660 0.020 2 253 355 32 ARG C C 173.650 0.400 1 254 355 32 ARG CA C 51.109 0.400 1 255 355 32 ARG CB C 28.358 0.400 1 256 355 32 ARG CD C 38.645 0.400 1 257 355 32 ARG CG C 24.830 0.400 1 258 355 32 ARG N N 122.188 0.400 1 259 355 32 ARG NE N 109.587 0.400 1 260 356 33 LEU H H 8.791 0.020 1 261 356 33 LEU HA H 4.583 0.020 1 262 356 33 LEU HB2 H 1.712 0.020 2 263 356 33 LEU HB3 H 1.059 0.020 2 264 356 33 LEU HD1 H 0.895 0.020 2 265 356 33 LEU HD2 H 0.991 0.020 2 266 356 33 LEU HG H 1.754 0.020 1 267 356 33 LEU C C 173.040 0.400 1 268 356 33 LEU CA C 50.253 0.400 1 269 356 33 LEU CB C 40.417 0.400 1 270 356 33 LEU CD1 C 20.504 0.400 1 271 356 33 LEU CD2 C 24.690 0.400 1 272 356 33 LEU N N 127.288 0.400 1 273 357 34 SER H H 7.901 0.020 1 274 357 34 SER HA H 4.268 0.020 1 275 357 34 SER HB2 H 4.080 0.020 2 276 357 34 SER HB3 H 4.080 0.020 2 277 357 34 SER C C 170.690 0.400 1 278 357 34 SER CA C 53.819 0.400 1 279 357 34 SER CB C 61.281 0.400 1 280 357 34 SER N N 118.819 0.400 1 281 358 35 ARG H H 7.163 0.020 1 282 358 35 ARG HA H 3.647 0.020 1 283 358 35 ARG HB2 H 1.640 0.020 2 284 358 35 ARG HB3 H 1.640 0.020 2 285 358 35 ARG HD2 H 3.539 0.020 2 286 358 35 ARG HD3 H 3.150 0.020 2 287 358 35 ARG HE H 7.103 0.020 1 288 358 35 ARG HG2 H 1.699 0.020 2 289 358 35 ARG HG3 H 1.579 0.020 2 290 358 35 ARG C C 175.930 0.400 1 291 358 35 ARG CA C 57.859 0.400 1 292 358 35 ARG CB C 26.443 0.400 1 293 358 35 ARG CD C 40.427 0.400 1 294 358 35 ARG CG C 25.457 0.400 1 295 358 35 ARG N N 123.991 0.400 1 296 358 35 ARG NE N 111.513 0.400 1 297 359 36 HIS H H 8.322 0.020 1 298 359 36 HIS HA H 4.292 0.020 1 299 359 36 HIS HB2 H 3.085 0.020 2 300 359 36 HIS HB3 H 3.008 0.020 2 301 359 36 HIS HD1 H 7.590 0.020 1 302 359 36 HIS HD2 H 7.820 0.020 1 303 359 36 HIS C C 175.140 0.400 1 304 359 36 HIS CA C 56.340 0.400 1 305 359 36 HIS CB C 27.150 0.400 1 306 359 36 HIS N N 116.386 0.400 1 307 360 37 LYS H H 7.536 0.020 1 308 360 37 LYS HA H 3.406 0.020 1 309 360 37 LYS HB2 H 1.439 0.020 2 310 360 37 LYS HB3 H 0.833 0.020 2 311 360 37 LYS HD2 H 1.371 0.020 2 312 360 37 LYS HD3 H 1.371 0.020 2 313 360 37 LYS HE2 H 2.803 0.020 2 314 360 37 LYS HE3 H 2.844 0.020 2 315 360 37 LYS HG2 H 0.821 0.020 2 316 360 37 LYS HG3 H 1.022 0.020 2 317 360 37 LYS C C 174.900 0.400 1 318 360 37 LYS CA C 56.607 0.400 1 319 360 37 LYS CB C 29.278 0.400 1 320 360 37 LYS CD C 26.647 0.400 1 321 360 37 LYS CE C 39.369 0.400 1 322 360 37 LYS CG C 22.849 0.400 1 323 360 37 LYS N N 119.718 0.400 1 324 361 38 LEU H H 7.444 0.020 1 325 361 38 LEU HA H 3.941 0.020 1 326 361 38 LEU HB2 H 2.056 0.020 2 327 361 38 LEU HB3 H 2.056 0.020 2 328 361 38 LEU HD1 H 0.903 0.020 2 329 361 38 LEU HD2 H 0.964 0.020 2 330 361 38 LEU HG H 1.938 0.020 1 331 361 38 LEU C C 175.630 0.400 1 332 361 38 LEU CA C 55.740 0.400 1 333 361 38 LEU CB C 39.068 0.400 1 334 361 38 LEU CD1 C 25.404 0.400 1 335 361 38 LEU CD2 C 21.210 0.400 1 336 361 38 LEU CG C 23.673 0.400 1 337 361 38 LEU N N 116.250 0.400 1 338 362 39 GLU H H 8.492 0.020 1 339 362 39 GLU HA H 3.642 0.020 1 340 362 39 GLU HB2 H 1.886 0.020 2 341 362 39 GLU HB3 H 2.036 0.020 2 342 362 39 GLU HG2 H 2.227 0.020 2 343 362 39 GLU HG3 H 1.947 0.020 2 344 362 39 GLU C C 175.470 0.400 1 345 362 39 GLU CA C 56.651 0.400 1 346 362 39 GLU CB C 26.687 0.400 1 347 362 39 GLU CG C 33.020 0.400 1 348 362 39 GLU N N 118.174 0.400 1 349 363 40 ARG H H 7.315 0.020 1 350 363 40 ARG HA H 4.038 0.020 1 351 363 40 ARG HB2 H 1.721 0.020 2 352 363 40 ARG HB3 H 1.721 0.020 2 353 363 40 ARG HD2 H 3.012 0.020 2 354 363 40 ARG HD3 H 3.012 0.020 2 355 363 40 ARG HG2 H 1.507 0.020 2 356 363 40 ARG HG3 H 1.448 0.020 2 357 363 40 ARG C C 176.620 0.400 1 358 363 40 ARG CA C 55.488 0.400 1 359 363 40 ARG CB C 27.202 0.400 1 360 363 40 ARG CD C 40.602 0.400 1 361 363 40 ARG CG C 24.542 0.400 1 362 363 40 ARG N N 116.726 0.400 1 363 364 41 TRP H H 7.823 0.020 1 364 364 41 TRP HA H 4.991 0.020 1 365 364 41 TRP HB2 H 3.252 0.020 2 366 364 41 TRP HB3 H 3.532 0.020 2 367 364 41 TRP HD1 H 7.126 0.020 1 368 364 41 TRP HE1 H 10.197 0.020 1 369 364 41 TRP HE3 H 7.207 0.020 1 370 364 41 TRP HH2 H 7.101 0.020 1 371 364 41 TRP HZ2 H 7.397 0.020 1 372 364 41 TRP HZ3 H 6.892 0.020 1 373 364 41 TRP C C 175.820 0.400 1 374 364 41 TRP CA C 53.068 0.400 1 375 364 41 TRP CB C 28.974 0.400 1 376 364 41 TRP CD1 C 121.017 0.400 1 377 364 41 TRP CE3 C 116.033 0.400 1 378 364 41 TRP CH2 C 121.382 0.400 1 379 364 41 TRP CZ2 C 112.150 0.400 1 380 364 41 TRP CZ3 C 118.716 0.400 1 381 364 41 TRP N N 116.767 0.400 1 382 364 41 TRP NE1 N 127.042 0.400 1 383 365 42 CYS H H 7.381 0.020 1 384 365 42 CYS HA H 2.349 0.020 1 385 365 42 CYS HB2 H 2.590 0.020 2 386 365 42 CYS HB3 H 1.927 0.020 2 387 365 42 CYS C C 171.330 0.400 1 388 365 42 CYS CA C 58.360 0.400 1 389 365 42 CYS CB C 23.331 0.400 1 390 365 42 CYS N N 115.678 0.400 1 391 366 43 HIS H H 8.248 0.020 1 392 366 43 HIS HA H 4.823 0.020 1 393 366 43 HIS HB2 H 3.313 0.020 2 394 366 43 HIS HB3 H 2.870 0.020 2 395 366 43 HIS HD1 H 7.102 0.020 1 396 366 43 HIS HE1 H 7.180 0.020 1 397 366 43 HIS C C 173.120 0.400 1 398 366 43 HIS CA C 52.372 0.400 1 399 366 43 HIS CB C 26.853 0.400 1 400 366 43 HIS N N 119.044 0.400 1 401 367 44 MET H H 7.999 0.020 1 402 367 44 MET HA H 4.694 0.020 1 403 367 44 MET HB2 H 1.664 0.020 2 404 367 44 MET HB3 H 1.335 0.020 2 405 367 44 MET HG2 H 2.701 0.020 2 406 367 44 MET HG3 H 2.628 0.020 2 407 367 44 MET C C 174.330 0.400 1 408 367 44 MET CA C 50.539 0.400 1 409 367 44 MET CB C 28.465 0.400 1 410 367 44 MET CG C 30.179 0.400 1 411 367 44 MET N N 121.040 0.400 1 412 368 45 PRO HA H 4.334 0.020 1 413 368 45 PRO HB2 H 1.851 0.020 2 414 368 45 PRO HB3 H 2.298 0.020 2 415 368 45 PRO HD2 H 3.684 0.020 2 416 368 45 PRO HD3 H 3.901 0.020 2 417 368 45 PRO HG2 H 2.093 0.020 2 418 368 45 PRO HG3 H 2.093 0.020 2 419 368 45 PRO CA C 62.157 0.400 1 420 368 45 PRO CB C 28.902 0.400 1 421 368 45 PRO CD C 48.090 0.400 1 422 368 45 PRO CG C 24.953 0.400 1 423 369 46 PHE H H 7.035 0.020 1 424 369 46 PHE HA H 4.854 0.020 1 425 369 46 PHE HB2 H 3.258 0.020 2 426 369 46 PHE HB3 H 3.024 0.020 2 427 369 46 PHE HD1 H 7.029 0.020 1 428 369 46 PHE HD2 H 7.029 0.020 1 429 369 46 PHE C C 173.700 0.400 1 430 369 46 PHE CA C 53.144 0.400 1 431 369 46 PHE CB C 34.439 0.400 1 432 369 46 PHE CD1 C 128.800 0.400 1 433 369 46 PHE CD2 C 128.800 0.400 1 434 370 47 PHE H H 7.482 0.020 1 435 370 47 PHE HA H 3.880 0.020 1 436 370 47 PHE HB2 H 3.538 0.020 2 437 370 47 PHE HB3 H 2.944 0.020 2 438 370 47 PHE HD1 H 7.194 0.020 1 439 370 47 PHE HD2 H 7.194 0.020 1 440 370 47 PHE HE1 H 7.174 0.020 1 441 370 47 PHE HE2 H 7.174 0.020 1 442 370 47 PHE C C 172.940 0.400 1 443 370 47 PHE CA C 59.770 0.400 1 444 370 47 PHE CB C 36.642 0.400 1 445 370 47 PHE CD1 C 129.980 0.400 1 446 370 47 PHE CD2 C 129.980 0.400 1 447 370 47 PHE CE1 C 127.800 0.400 1 448 370 47 PHE CE2 C 127.800 0.400 1 449 370 47 PHE N N 123.552 0.400 1 450 371 48 ALA H H 8.779 0.020 1 451 371 48 ALA HA H 3.658 0.020 1 452 371 48 ALA HB H 1.418 0.020 1 453 371 48 ALA C C 177.250 0.400 1 454 371 48 ALA CA C 53.353 0.400 1 455 371 48 ALA CB C 15.328 0.400 1 456 371 48 ALA N N 119.227 0.400 1 457 372 49 LYS H H 8.313 0.020 1 458 372 49 LYS HA H 3.968 0.020 1 459 372 49 LYS HB2 H 1.857 0.020 2 460 372 49 LYS HB3 H 1.764 0.020 2 461 372 49 LYS HD2 H 1.589 0.020 2 462 372 49 LYS HD3 H 1.589 0.020 2 463 372 49 LYS HE2 H 2.898 0.020 2 464 372 49 LYS HE3 H 2.898 0.020 2 465 372 49 LYS HG2 H 1.408 0.020 2 466 372 49 LYS HG3 H 1.408 0.020 2 467 372 49 LYS C C 175.660 0.400 1 468 372 49 LYS CA C 55.894 0.400 1 469 372 49 LYS CB C 29.632 0.400 1 470 372 49 LYS CD C 26.561 0.400 1 471 372 49 LYS CE C 38.940 0.400 1 472 372 49 LYS CG C 22.117 0.400 1 473 372 49 LYS N N 118.180 0.400 1 474 373 50 THR H H 7.781 0.020 1 475 373 50 THR HA H 3.769 0.020 1 476 373 50 THR HB H 3.837 0.020 1 477 373 50 THR HG2 H 0.672 0.020 1 478 373 50 THR C C 173.180 0.400 1 479 373 50 THR CA C 63.944 0.400 1 480 373 50 THR CB C 66.004 0.400 1 481 373 50 THR CG2 C 18.520 0.400 1 482 373 50 THR N N 114.323 0.400 1 483 374 51 VAL H H 7.846 0.020 1 484 374 51 VAL HA H 4.119 0.020 1 485 374 51 VAL HB H 1.930 0.020 1 486 374 51 VAL HG1 H 0.606 0.020 2 487 374 51 VAL HG2 H 0.205 0.020 2 488 374 51 VAL C C 173.910 0.400 1 489 374 51 VAL CA C 60.672 0.400 1 490 374 51 VAL CB C 27.895 0.400 1 491 374 51 VAL CG1 C 19.078 0.400 1 492 374 51 VAL CG2 C 14.779 0.400 1 493 374 51 VAL N N 109.850 0.400 1 494 375 52 THR H H 7.043 0.020 1 495 375 52 THR HA H 3.468 0.020 1 496 375 52 THR HB H 3.961 0.020 1 497 375 52 THR HG2 H 1.011 0.020 1 498 375 52 THR C C 172.160 0.400 1 499 375 52 THR CA C 63.847 0.400 1 500 375 52 THR CB C 65.441 0.400 1 501 375 52 THR CG2 C 18.197 0.400 1 502 375 52 THR N N 117.894 0.400 1 503 376 53 GLY H H 9.129 0.020 1 504 376 53 GLY HA2 H 4.371 0.020 2 505 376 53 GLY HA3 H 3.820 0.020 2 506 376 53 GLY C C 172.220 0.400 1 507 376 53 GLY CA C 42.221 0.400 1 508 376 53 GLY N N 116.742 0.400 1 509 377 54 CYS H H 7.807 0.020 1 510 377 54 CYS HA H 4.774 0.020 1 511 377 54 CYS HB2 H 3.259 0.020 2 512 377 54 CYS HB3 H 3.259 0.020 2 513 377 54 CYS C C 168.970 0.400 1 514 377 54 CYS CA C 57.539 0.400 1 515 377 54 CYS CB C 25.108 0.400 1 516 377 54 CYS N N 114.981 0.400 1 517 378 55 PHE H H 8.534 0.020 1 518 378 55 PHE HA H 5.575 0.020 1 519 378 55 PHE HB2 H 2.622 0.020 2 520 378 55 PHE HB3 H 2.858 0.020 2 521 378 55 PHE HD1 H 6.774 0.020 1 522 378 55 PHE HD2 H 6.774 0.020 1 523 378 55 PHE HE1 H 7.068 0.020 1 524 378 55 PHE HE2 H 7.068 0.020 1 525 378 55 PHE HZ H 7.320 0.020 1 526 378 55 PHE C C 172.410 0.400 1 527 378 55 PHE CA C 53.898 0.400 1 528 378 55 PHE CB C 40.719 0.400 1 529 378 55 PHE CD1 C 128.470 0.400 1 530 378 55 PHE CD2 C 128.470 0.400 1 531 378 55 PHE CE1 C 128.760 0.400 1 532 378 55 PHE CE2 C 128.760 0.400 1 533 378 55 PHE CZ C 127.200 0.400 1 534 378 55 PHE N N 117.473 0.400 1 535 379 56 VAL H H 9.428 0.020 1 536 379 56 VAL HA H 4.716 0.020 1 537 379 56 VAL HB H 2.138 0.020 1 538 379 56 VAL HG1 H 0.669 0.020 2 539 379 56 VAL HG2 H 1.016 0.020 2 540 379 56 VAL C C 170.090 0.400 1 541 379 56 VAL CA C 56.405 0.400 1 542 379 56 VAL CB C 33.977 0.400 1 543 379 56 VAL CG1 C 17.843 0.400 1 544 379 56 VAL CG2 C 20.926 0.400 1 545 379 56 VAL N N 109.322 0.400 1 546 380 57 ARG H H 8.998 0.020 1 547 380 57 ARG HA H 5.048 0.020 1 548 380 57 ARG HB2 H 1.794 0.020 2 549 380 57 ARG HB3 H 1.247 0.020 2 550 380 57 ARG HD2 H 2.427 0.020 2 551 380 57 ARG HD3 H 2.328 0.020 2 552 380 57 ARG HE H 9.527 0.020 1 553 380 57 ARG C C 171.300 0.400 1 554 380 57 ARG CA C 52.499 0.400 1 555 380 57 ARG CB C 28.381 0.400 1 556 380 57 ARG CD C 40.836 0.400 1 557 380 57 ARG CG C 26.680 0.400 1 558 380 57 ARG N N 124.346 0.400 1 559 380 57 ARG NE N 114.684 0.400 1 560 381 58 ILE H H 9.191 0.020 1 561 381 58 ILE HA H 4.857 0.020 1 562 381 58 ILE HB H 1.018 0.020 1 563 381 58 ILE HD1 H 0.421 0.020 1 564 381 58 ILE HG12 H 0.669 0.020 2 565 381 58 ILE HG13 H -0.326 0.020 2 566 381 58 ILE HG2 H 0.444 0.020 1 567 381 58 ILE C C 170.510 0.400 1 568 381 58 ILE CA C 52.813 0.400 1 569 381 58 ILE CB C 40.145 0.400 1 570 381 58 ILE CD1 C 13.246 0.400 1 571 381 58 ILE CG1 C 25.024 0.400 1 572 381 58 ILE CG2 C 15.981 0.400 1 573 381 58 ILE N N 126.788 0.400 1 574 382 59 GLY H H 8.491 0.020 1 575 382 59 GLY HA2 H 3.321 0.020 2 576 382 59 GLY HA3 H 3.992 0.020 2 577 382 59 GLY C C 170.490 0.400 1 578 382 59 GLY CA C 43.734 0.400 1 579 382 59 GLY N N 115.898 0.400 1 580 383 60 ILE H H 7.942 0.020 1 581 383 60 ILE HA H 4.283 0.020 1 582 383 60 ILE HB H 1.864 0.020 1 583 383 60 ILE HD1 H 0.523 0.020 1 584 383 60 ILE HG12 H 0.992 0.020 2 585 383 60 ILE HG13 H 0.676 0.020 2 586 383 60 ILE HG2 H 0.604 0.020 1 587 383 60 ILE C C 173.250 0.400 1 588 383 60 ILE CA C 57.415 0.400 1 589 383 60 ILE CB C 35.984 0.400 1 590 383 60 ILE CD1 C 10.785 0.400 1 591 383 60 ILE CG1 C 24.045 0.400 1 592 383 60 ILE CG2 C 15.576 0.400 1 593 383 60 ILE N N 118.876 0.400 1 594 384 61 GLY H H 7.948 0.020 1 595 384 61 GLY HA2 H 4.053 0.020 2 596 384 61 GLY HA3 H 3.655 0.020 2 597 384 61 GLY C C 169.770 0.400 1 598 384 61 GLY CA C 41.755 0.400 1 599 384 61 GLY N N 112.042 0.400 1 600 385 62 ASN H H 8.297 0.020 1 601 385 62 ASN HA H 4.906 0.020 1 602 385 62 ASN HB2 H 2.534 0.020 2 603 385 62 ASN HB3 H 2.406 0.020 2 604 385 62 ASN HD21 H 6.681 0.020 2 605 385 62 ASN HD22 H 7.375 0.020 2 606 385 62 ASN C C 172.730 0.400 1 607 385 62 ASN CA C 49.833 0.400 1 608 385 62 ASN CB C 37.535 0.400 1 609 385 62 ASN N N 117.993 0.400 1 610 385 62 ASN ND2 N 112.466 0.400 1 611 386 63 HIS HA H 4.680 0.020 1 612 387 64 ASN H H 8.262 0.020 1 613 387 64 ASN HA H 4.380 0.020 1 614 387 64 ASN HB2 H 2.875 0.020 2 615 387 64 ASN HB3 H 2.585 0.020 2 616 387 64 ASN HD21 H 6.779 0.020 2 617 387 64 ASN HD22 H 7.448 0.020 2 618 387 64 ASN C C 172.150 0.400 1 619 387 64 ASN CA C 51.386 0.400 1 620 387 64 ASN CB C 34.801 0.400 1 621 387 64 ASN ND2 N 112.367 0.400 1 622 388 65 SER H H 8.249 0.020 1 623 388 65 SER HA H 4.115 0.020 1 624 388 65 SER HB2 H 3.979 0.020 2 625 388 65 SER HB3 H 3.901 0.020 2 626 388 65 SER C C 170.560 0.400 1 627 388 65 SER CA C 56.559 0.400 1 628 388 65 SER CB C 60.385 0.400 1 629 388 65 SER N N 109.922 0.400 1 630 389 66 LYS H H 7.824 0.020 1 631 389 66 LYS HA H 4.708 0.020 1 632 389 66 LYS HB2 H 1.818 0.020 2 633 389 66 LYS HB3 H 1.726 0.020 2 634 389 66 LYS HD2 H 1.693 0.020 2 635 389 66 LYS HD3 H 1.693 0.020 2 636 389 66 LYS HE2 H 2.990 0.020 2 637 389 66 LYS HE3 H 2.990 0.020 2 638 389 66 LYS HG2 H 1.419 0.020 2 639 389 66 LYS HG3 H 1.419 0.020 2 640 389 66 LYS C C 170.920 0.400 1 641 389 66 LYS CA C 50.940 0.400 1 642 389 66 LYS CB C 30.602 0.400 1 643 389 66 LYS CD C 26.443 0.400 1 644 389 66 LYS CE C 39.440 0.400 1 645 389 66 LYS CG C 21.850 0.400 1 646 389 66 LYS N N 122.135 0.400 1 647 390 67 PRO HA H 4.426 0.020 1 648 390 67 PRO HB2 H 1.986 0.020 2 649 390 67 PRO HB3 H 1.559 0.020 2 650 390 67 PRO HD2 H 3.783 0.020 2 651 390 67 PRO HD3 H 3.655 0.020 2 652 390 67 PRO HG2 H 2.070 0.020 2 653 390 67 PRO HG3 H 1.970 0.020 2 654 390 67 PRO CA C 60.428 0.400 1 655 390 67 PRO CB C 29.620 0.400 1 656 390 67 PRO CD C 48.106 0.400 1 657 390 67 PRO CG C 24.907 0.400 1 658 391 68 VAL H H 7.863 0.020 1 659 391 68 VAL HA H 4.115 0.020 1 660 391 68 VAL HB H 1.704 0.020 1 661 391 68 VAL HG1 H 0.783 0.020 2 662 391 68 VAL HG2 H 0.808 0.020 2 663 391 68 VAL C C 171.650 0.400 1 664 391 68 VAL CA C 58.775 0.400 1 665 391 68 VAL CB C 31.315 0.400 1 666 391 68 VAL CG1 C 18.782 0.400 1 667 391 68 VAL CG2 C 18.468 0.400 1 668 391 68 VAL N N 121.662 0.400 1 669 392 69 TYR H H 8.722 0.020 1 670 392 69 TYR HA H 5.390 0.020 1 671 392 69 TYR HB2 H 2.786 0.020 2 672 392 69 TYR HB3 H 2.512 0.020 2 673 392 69 TYR HD1 H 6.771 0.020 1 674 392 69 TYR HD2 H 6.771 0.020 1 675 392 69 TYR HE1 H 6.742 0.020 1 676 392 69 TYR HE2 H 6.742 0.020 1 677 392 69 TYR C C 172.940 0.400 1 678 392 69 TYR CA C 53.859 0.400 1 679 392 69 TYR CB C 39.567 0.400 1 680 392 69 TYR CD1 C 130.310 0.400 1 681 392 69 TYR CD2 C 130.310 0.400 1 682 392 69 TYR CE1 C 115.628 0.400 1 683 392 69 TYR CE2 C 115.628 0.400 1 684 392 69 TYR N N 124.149 0.400 1 685 393 70 ARG H H 8.742 0.020 1 686 393 70 ARG HA H 4.727 0.020 1 687 393 70 ARG HB2 H 1.460 0.020 2 688 393 70 ARG HB3 H 1.253 0.020 2 689 393 70 ARG HD2 H 2.956 0.020 2 690 393 70 ARG HD3 H 2.871 0.020 2 691 393 70 ARG HG2 H 1.259 0.020 2 692 393 70 ARG HG3 H 1.187 0.020 2 693 393 70 ARG C C 172.740 0.400 1 694 393 70 ARG CA C 51.031 0.400 1 695 393 70 ARG CB C 32.213 0.400 1 696 393 70 ARG CD C 40.743 0.400 1 697 393 70 ARG CG C 24.025 0.400 1 698 393 70 ARG N N 116.053 0.400 1 699 394 71 VAL H H 8.352 0.020 1 700 394 71 VAL HA H 3.936 0.020 1 701 394 71 VAL HB H 1.539 0.020 1 702 394 71 VAL HG1 H -0.617 0.020 2 703 394 71 VAL HG2 H -0.031 0.020 2 704 394 71 VAL C C 172.920 0.400 1 705 394 71 VAL CA C 59.558 0.400 1 706 394 71 VAL CB C 29.997 0.400 1 707 394 71 VAL CG1 C 18.364 0.400 1 708 394 71 VAL CG2 C 17.146 0.400 1 709 394 71 VAL N N 120.963 0.400 1 710 395 72 ALA H H 8.793 0.020 1 711 395 72 ALA HA H 4.972 0.020 1 712 395 72 ALA HB H 1.147 0.020 1 713 395 72 ALA C C 171.410 0.400 1 714 395 72 ALA CA C 48.509 0.400 1 715 395 72 ALA CB C 21.367 0.400 1 716 395 72 ALA N N 127.045 0.400 1 717 396 73 GLU H H 8.702 0.020 1 718 396 73 GLU HA H 3.528 0.020 1 719 396 73 GLU HB2 H 1.546 0.020 2 720 396 73 GLU HB3 H 1.728 0.020 2 721 396 73 GLU HG2 H 1.552 0.020 2 722 396 73 GLU HG3 H 1.248 0.020 2 723 396 73 GLU C C 173.690 0.400 1 724 396 73 GLU CA C 51.663 0.400 1 725 396 73 GLU CB C 29.660 0.400 1 726 396 73 GLU CG C 32.339 0.400 1 727 396 73 GLU N N 123.421 0.400 1 728 397 74 ILE H H 8.943 0.020 1 729 397 74 ILE HA H 4.469 0.020 1 730 397 74 ILE HB H 2.097 0.020 1 731 397 74 ILE HD1 H 0.721 0.020 1 732 397 74 ILE HG12 H 1.489 0.020 2 733 397 74 ILE HG13 H 1.489 0.020 2 734 397 74 ILE HG2 H 0.768 0.020 1 735 397 74 ILE C C 174.530 0.400 1 736 397 74 ILE CA C 58.957 0.400 1 737 397 74 ILE CB C 34.514 0.400 1 738 397 74 ILE CD1 C 11.430 0.400 1 739 397 74 ILE CG1 C 24.545 0.400 1 740 397 74 ILE CG2 C 16.298 0.400 1 741 397 74 ILE N N 126.203 0.400 1 742 398 75 THR H H 9.425 0.020 1 743 398 75 THR HA H 4.572 0.020 1 744 398 75 THR HB H 4.357 0.020 1 745 398 75 THR HG2 H 0.950 0.020 1 746 398 75 THR C C 171.900 0.400 1 747 398 75 THR CA C 58.560 0.400 1 748 398 75 THR CB C 65.877 0.400 1 749 398 75 THR CG2 C 19.506 0.400 1 750 398 75 THR N N 121.351 0.400 1 751 399 76 GLY H H 7.656 0.020 1 752 399 76 GLY HA2 H 4.101 0.020 2 753 399 76 GLY HA3 H 3.986 0.020 2 754 399 76 GLY C C 167.610 0.400 1 755 399 76 GLY CA C 42.517 0.400 1 756 399 76 GLY N N 109.401 0.400 1 757 400 77 VAL H H 8.611 0.020 1 758 400 77 VAL HA H 4.793 0.020 1 759 400 77 VAL HB H 1.887 0.020 1 760 400 77 VAL HG1 H 0.645 0.020 2 761 400 77 VAL HG2 H 1.140 0.020 2 762 400 77 VAL C C 172.360 0.400 1 763 400 77 VAL CA C 58.917 0.400 1 764 400 77 VAL CB C 32.049 0.400 1 765 400 77 VAL CG1 C 19.396 0.400 1 766 400 77 VAL CG2 C 19.072 0.400 1 767 400 77 VAL N N 120.943 0.400 1 768 401 78 VAL H H 8.612 0.020 1 769 401 78 VAL HA H 4.666 0.020 1 770 401 78 VAL HB H 2.027 0.020 1 771 401 78 VAL HG1 H 0.724 0.020 2 772 401 78 VAL HG2 H 0.558 0.020 2 773 401 78 VAL C C 171.960 0.400 1 774 401 78 VAL CA C 56.202 0.400 1 775 401 78 VAL CB C 32.486 0.400 1 776 401 78 VAL CG1 C 18.479 0.400 1 777 401 78 VAL CG2 C 16.642 0.400 1 778 401 78 VAL N N 121.042 0.400 1 779 402 79 GLU H H 8.469 0.020 1 780 402 79 GLU HA H 4.532 0.020 1 781 402 79 GLU HB2 H 1.880 0.020 2 782 402 79 GLU HB3 H 1.880 0.020 2 783 402 79 GLU HG2 H 2.234 0.020 2 784 402 79 GLU HG3 H 2.147 0.020 2 785 402 79 GLU C C 174.070 0.400 1 786 402 79 GLU CA C 53.486 0.400 1 787 402 79 GLU CB C 27.891 0.400 1 788 402 79 GLU CG C 34.167 0.400 1 789 402 79 GLU N N 121.441 0.400 1 790 403 80 THR H H 8.320 0.020 1 791 403 80 THR HA H 4.599 0.020 1 792 403 80 THR HB H 4.464 0.020 1 793 403 80 THR HG2 H 1.052 0.020 1 794 403 80 THR C C 171.520 0.400 1 795 403 80 THR CA C 58.225 0.400 1 796 403 80 THR CB C 67.692 0.400 1 797 403 80 THR CG2 C 17.955 0.400 1 798 403 80 THR N N 115.567 0.400 1 799 404 81 ALA H H 8.340 0.020 1 800 404 81 ALA HA H 4.186 0.020 1 801 404 81 ALA HB H 1.424 0.020 1 802 404 81 ALA C C 174.860 0.400 1 803 404 81 ALA CA C 50.954 0.400 1 804 404 81 ALA CB C 16.737 0.400 1 805 404 81 ALA N N 119.963 0.400 1 806 405 82 LYS H H 7.677 0.020 1 807 405 82 LYS HA H 4.597 0.020 1 808 405 82 LYS HB2 H 1.764 0.020 2 809 405 82 LYS HB3 H 1.647 0.020 2 810 405 82 LYS HD2 H 1.650 0.020 2 811 405 82 LYS HD3 H 1.650 0.020 2 812 405 82 LYS HE2 H 2.953 0.020 2 813 405 82 LYS HE3 H 2.953 0.020 2 814 405 82 LYS HG2 H 1.355 0.020 2 815 405 82 LYS HG3 H 1.355 0.020 2 816 405 82 LYS C C 172.140 0.400 1 817 405 82 LYS CA C 52.066 0.400 1 818 405 82 LYS CB C 32.627 0.400 1 819 405 82 LYS CD C 26.431 0.400 1 820 405 82 LYS CE C 39.410 0.400 1 821 405 82 LYS CG C 22.003 0.400 1 822 405 82 LYS N N 117.039 0.400 1 823 406 83 VAL H H 8.121 0.020 1 824 406 83 VAL HA H 3.933 0.020 1 825 406 83 VAL HB H 1.775 0.020 1 826 406 83 VAL HG1 H 0.665 0.020 2 827 406 83 VAL HG2 H 0.859 0.020 2 828 406 83 VAL C C 172.560 0.400 1 829 406 83 VAL CA C 59.207 0.400 1 830 406 83 VAL CB C 29.439 0.400 1 831 406 83 VAL CG1 C 19.410 0.400 1 832 406 83 VAL CG2 C 19.389 0.400 1 833 406 83 VAL N N 122.880 0.400 1 834 407 84 TYR H H 8.716 0.020 1 835 407 84 TYR HA H 4.956 0.020 1 836 407 84 TYR HB2 H 3.088 0.020 2 837 407 84 TYR HB3 H 2.748 0.020 2 838 407 84 TYR HD1 H 7.111 0.020 1 839 407 84 TYR HD2 H 7.111 0.020 1 840 407 84 TYR HE1 H 6.481 0.020 1 841 407 84 TYR HE2 H 6.481 0.020 1 842 407 84 TYR C C 169.940 0.400 1 843 407 84 TYR CA C 52.224 0.400 1 844 407 84 TYR CB C 38.314 0.400 1 845 407 84 TYR CD1 C 132.820 0.400 1 846 407 84 TYR CD2 C 132.820 0.400 1 847 407 84 TYR CE1 C 114.200 0.400 1 848 407 84 TYR CE2 C 114.200 0.400 1 849 407 84 TYR N N 124.632 0.400 1 850 408 85 GLN H H 8.485 0.020 1 851 408 85 GLN HA H 4.151 0.020 1 852 408 85 GLN HB2 H 1.989 0.020 2 853 408 85 GLN HB3 H 1.989 0.020 2 854 408 85 GLN HE21 H 6.732 0.020 2 855 408 85 GLN HE22 H 7.433 0.020 2 856 408 85 GLN HG2 H 2.317 0.020 2 857 408 85 GLN HG3 H 2.317 0.020 2 858 408 85 GLN C C 171.840 0.400 1 859 408 85 GLN CA C 53.242 0.400 1 860 408 85 GLN CB C 26.587 0.400 1 861 408 85 GLN CG C 30.551 0.400 1 862 408 85 GLN N N 120.047 0.400 1 863 408 85 GLN NE2 N 112.545 0.400 1 864 409 86 LEU H H 8.759 0.020 1 865 409 86 LEU HA H 4.544 0.020 1 866 409 86 LEU HB2 H 0.934 0.020 2 867 409 86 LEU HB3 H 1.585 0.020 2 868 409 86 LEU HD1 H 0.757 0.020 2 869 409 86 LEU HD2 H 0.724 0.020 2 870 409 86 LEU HG H 1.348 0.020 1 871 409 86 LEU C C 171.790 0.400 1 872 409 86 LEU CA C 50.022 0.400 1 873 409 86 LEU CB C 40.912 0.400 1 874 409 86 LEU CD1 C 20.705 0.400 1 875 409 86 LEU CD2 C 24.799 0.400 1 876 409 86 LEU CG C 24.835 0.400 1 877 409 86 LEU N N 130.471 0.400 1 878 410 87 GLY H H 8.658 0.020 1 879 410 87 GLY HA2 H 4.033 0.020 2 880 410 87 GLY HA3 H 3.519 0.020 2 881 410 87 GLY C C 173.200 0.400 1 882 410 87 GLY CA C 44.790 0.400 1 883 410 87 GLY N N 114.291 0.400 1 884 411 88 GLY H H 9.123 0.020 1 885 411 88 GLY HA2 H 3.629 0.020 2 886 411 88 GLY HA3 H 4.215 0.020 2 887 411 88 GLY C C 171.110 0.400 1 888 411 88 GLY CA C 42.809 0.400 1 889 411 88 GLY N N 117.221 0.400 1 890 412 89 THR H H 8.093 0.020 1 891 412 89 THR HA H 4.735 0.020 1 892 412 89 THR HB H 4.079 0.020 1 893 412 89 THR HG2 H 1.115 0.020 1 894 412 89 THR C C 168.870 0.400 1 895 412 89 THR CA C 56.718 0.400 1 896 412 89 THR CB C 68.177 0.400 1 897 412 89 THR CG2 C 16.070 0.400 1 898 412 89 THR N N 117.323 0.400 1 899 413 90 ARG H H 8.195 0.020 1 900 413 90 ARG HA H 4.936 0.020 1 901 413 90 ARG HB2 H 1.401 0.020 2 902 413 90 ARG HB3 H 1.401 0.020 2 903 413 90 ARG HD2 H 3.076 0.020 2 904 413 90 ARG HD3 H 2.941 0.020 2 905 413 90 ARG HE H 8.750 0.020 1 906 413 90 ARG HG2 H 1.428 0.020 2 907 413 90 ARG HG3 H 1.268 0.020 2 908 413 90 ARG C C 172.420 0.400 1 909 413 90 ARG CA C 51.849 0.400 1 910 413 90 ARG CB C 30.188 0.400 1 911 413 90 ARG CD C 40.693 0.400 1 912 413 90 ARG CG C 24.681 0.400 1 913 413 90 ARG N N 120.732 0.400 1 914 414 91 THR H H 8.343 0.020 1 915 414 91 THR HA H 4.700 0.020 1 916 414 91 THR HB H 3.836 0.020 1 917 414 91 THR HG2 H 0.554 0.020 1 918 414 91 THR C C 166.920 0.400 1 919 414 91 THR CA C 56.954 0.400 1 920 414 91 THR CB C 66.575 0.400 1 921 414 91 THR CG2 C 15.833 0.400 1 922 414 91 THR N N 116.359 0.400 1 923 415 92 ASN H H 7.656 0.020 1 924 415 92 ASN HA H 5.311 0.020 1 925 415 92 ASN HB2 H 3.263 0.020 2 926 415 92 ASN HB3 H 2.315 0.020 2 927 415 92 ASN HD21 H 7.462 0.020 2 928 415 92 ASN HD22 H 7.007 0.020 2 929 415 92 ASN C C 175.410 0.400 1 930 415 92 ASN CA C 49.014 0.400 1 931 415 92 ASN CB C 36.447 0.400 1 932 415 92 ASN N N 121.148 0.400 1 933 415 92 ASN ND2 N 110.802 0.400 1 934 416 93 LYS H H 8.442 0.020 1 935 416 93 LYS HA H 4.699 0.020 1 936 416 93 LYS HB2 H 1.623 0.020 2 937 416 93 LYS HB3 H 1.750 0.020 2 938 416 93 LYS HD2 H 1.711 0.020 2 939 416 93 LYS HD3 H 1.610 0.020 2 940 416 93 LYS HE2 H 2.960 0.020 2 941 416 93 LYS HE3 H 2.960 0.020 2 942 416 93 LYS HG2 H 1.434 0.020 2 943 416 93 LYS HG3 H 1.434 0.020 2 944 416 93 LYS C C 173.290 0.400 1 945 416 93 LYS CA C 54.602 0.400 1 946 416 93 LYS CB C 31.619 0.400 1 947 416 93 LYS CD C 26.230 0.400 1 948 416 93 LYS CE C 39.773 0.400 1 949 416 93 LYS CG C 23.684 0.400 1 950 416 93 LYS N N 122.343 0.400 1 951 417 94 GLY H H 9.292 0.020 1 952 417 94 GLY HA2 H 4.633 0.020 2 953 417 94 GLY HA3 H 3.086 0.020 2 954 417 94 GLY C C 168.930 0.400 1 955 417 94 GLY CA C 40.654 0.400 1 956 417 94 GLY N N 108.696 0.400 1 957 418 95 LEU H H 9.034 0.020 1 958 418 95 LEU HA H 5.039 0.020 1 959 418 95 LEU HB2 H 1.328 0.020 2 960 418 95 LEU HB3 H 1.753 0.020 2 961 418 95 LEU HD1 H 0.855 0.020 2 962 418 95 LEU HD2 H 0.902 0.020 2 963 418 95 LEU HG H 1.788 0.020 1 964 418 95 LEU C C 173.020 0.400 1 965 418 95 LEU CA C 50.005 0.400 1 966 418 95 LEU CB C 40.858 0.400 1 967 418 95 LEU CD1 C 23.622 0.400 1 968 418 95 LEU CD2 C 19.948 0.400 1 969 418 95 LEU CG C 23.588 0.400 1 970 418 95 LEU N N 118.450 0.400 1 971 419 96 GLN H H 8.636 0.020 1 972 419 96 GLN HA H 4.342 0.020 1 973 419 96 GLN HB2 H 1.776 0.020 2 974 419 96 GLN HB3 H 1.563 0.020 2 975 419 96 GLN HE21 H 6.616 0.020 2 976 419 96 GLN HE22 H 7.083 0.020 2 977 419 96 GLN HG2 H 1.715 0.020 2 978 419 96 GLN HG3 H 1.882 0.020 2 979 419 96 GLN C C 171.060 0.400 1 980 419 96 GLN CA C 53.471 0.400 1 981 419 96 GLN CB C 27.056 0.400 1 982 419 96 GLN CG C 32.157 0.400 1 983 419 96 GLN N N 125.228 0.400 1 984 419 96 GLN NE2 N 110.650 0.400 1 985 420 97 LEU H H 8.943 0.020 1 986 420 97 LEU HA H 5.509 0.020 1 987 420 97 LEU HB2 H 1.012 0.020 2 988 420 97 LEU HB3 H 1.948 0.020 2 989 420 97 LEU HD1 H 0.447 0.020 2 990 420 97 LEU HD2 H 0.712 0.020 2 991 420 97 LEU HG H 1.769 0.020 1 992 420 97 LEU C C 173.810 0.400 1 993 420 97 LEU CA C 49.999 0.400 1 994 420 97 LEU CB C 41.436 0.400 1 995 420 97 LEU CD1 C 23.346 0.400 1 996 420 97 LEU CD2 C 24.641 0.400 1 997 420 97 LEU CG C 22.782 0.400 1 998 420 97 LEU N N 126.376 0.400 1 999 421 98 ARG H H 9.605 0.020 1 1000 421 98 ARG HA H 5.442 0.020 1 1001 421 98 ARG HB2 H 1.757 0.020 2 1002 421 98 ARG HB3 H 1.757 0.020 2 1003 421 98 ARG HD2 H 3.140 0.020 2 1004 421 98 ARG HD3 H 3.140 0.020 2 1005 421 98 ARG HE H 6.860 0.020 1 1006 421 98 ARG HG2 H 1.803 0.020 2 1007 421 98 ARG HG3 H 1.602 0.020 2 1008 421 98 ARG C C 173.300 0.400 1 1009 421 98 ARG CA C 52.039 0.400 1 1010 421 98 ARG CB C 32.235 0.400 1 1011 421 98 ARG CD C 41.443 0.400 1 1012 421 98 ARG CG C 24.834 0.400 1 1013 421 98 ARG N N 123.096 0.400 1 1014 421 98 ARG NE N 109.638 0.400 1 1015 422 99 HIS H H 9.308 0.020 1 1016 422 99 HIS HA H 4.923 0.020 1 1017 422 99 HIS HB2 H 3.415 0.020 2 1018 422 99 HIS HB3 H 2.863 0.020 2 1019 422 99 HIS HD1 H 6.490 0.020 1 1020 422 99 HIS HD2 H 7.880 0.020 1 1021 422 99 HIS C C 171.960 0.400 1 1022 422 99 HIS CA C 52.670 0.400 1 1023 422 99 HIS CB C 27.263 0.400 1 1024 422 99 HIS N N 132.469 0.400 1 1025 423 100 GLY H H 8.587 0.020 1 1026 423 100 GLY HA2 H 3.458 0.020 2 1027 423 100 GLY HA3 H 3.510 0.020 2 1028 423 100 GLY C C 170.220 0.400 1 1029 423 100 GLY CA C 44.201 0.400 1 1030 423 100 GLY N N 115.022 0.400 1 1031 424 101 ASN H H 8.764 0.020 1 1032 424 101 ASN HA H 4.588 0.020 1 1033 424 101 ASN HB2 H 2.803 0.020 2 1034 424 101 ASN HB3 H 2.802 0.020 2 1035 424 101 ASN HD21 H 6.861 0.020 2 1036 424 101 ASN HD22 H 7.550 0.020 2 1037 424 101 ASN C C 172.310 0.400 1 1038 424 101 ASN CA C 50.630 0.400 1 1039 424 101 ASN CB C 36.249 0.400 1 1040 424 101 ASN N N 123.827 0.400 1 1041 424 101 ASN ND2 N 111.171 0.400 1 1042 425 102 ASP H H 7.883 0.020 1 1043 425 102 ASP HA H 4.659 0.020 1 1044 425 102 ASP HB2 H 3.141 0.020 2 1045 425 102 ASP HB3 H 2.771 0.020 2 1046 425 102 ASP C C 172.260 0.400 1 1047 425 102 ASP CA C 51.613 0.400 1 1048 425 102 ASP CB C 40.262 0.400 1 1049 425 102 ASP N N 121.244 0.400 1 1050 426 103 GLN H H 8.513 0.020 1 1051 426 103 GLN HA H 5.558 0.020 1 1052 426 103 GLN HB2 H 1.952 0.020 2 1053 426 103 GLN HB3 H 1.715 0.020 2 1054 426 103 GLN HE21 H 6.782 0.020 2 1055 426 103 GLN HE22 H 7.362 0.020 2 1056 426 103 GLN HG2 H 1.987 0.020 2 1057 426 103 GLN HG3 H 1.886 0.020 2 1058 426 103 GLN C C 171.430 0.400 1 1059 426 103 GLN CA C 52.195 0.400 1 1060 426 103 GLN CB C 29.628 0.400 1 1061 426 103 GLN CG C 32.526 0.400 1 1062 426 103 GLN N N 127.714 0.400 1 1063 426 103 GLN NE2 N 111.994 0.400 1 1064 427 104 ARG H H 8.471 0.020 1 1065 427 104 ARG HA H 4.589 0.020 1 1066 427 104 ARG HB2 H 1.716 0.020 2 1067 427 104 ARG HB3 H 1.612 0.020 2 1068 427 104 ARG HD2 H 2.965 0.020 2 1069 427 104 ARG HD3 H 2.874 0.020 2 1070 427 104 ARG HE H 7.821 0.020 1 1071 427 104 ARG HG2 H 1.461 0.020 2 1072 427 104 ARG HG3 H 1.376 0.020 2 1073 427 104 ARG C C 171.190 0.400 1 1074 427 104 ARG CA C 52.112 0.400 1 1075 427 104 ARG CB C 31.965 0.400 1 1076 427 104 ARG CD C 40.887 0.400 1 1077 427 104 ARG CG C 24.012 0.400 1 1078 427 104 ARG N N 123.959 0.400 1 1079 427 104 ARG NE N 113.186 0.400 1 1080 428 105 VAL H H 8.133 0.020 1 1081 428 105 VAL HA H 4.931 0.020 1 1082 428 105 VAL HB H 1.704 0.020 1 1083 428 105 VAL HG1 H 0.542 0.020 2 1084 428 105 VAL HG2 H 0.793 0.020 2 1085 428 105 VAL C C 173.640 0.400 1 1086 428 105 VAL CA C 58.845 0.400 1 1087 428 105 VAL CB C 29.920 0.400 1 1088 428 105 VAL CG1 C 18.507 0.400 1 1089 428 105 VAL CG2 C 19.703 0.400 1 1090 428 105 VAL N N 121.203 0.400 1 1091 429 106 PHE H H 9.041 0.020 1 1092 429 106 PHE HA H 5.043 0.020 1 1093 429 106 PHE HB2 H 2.545 0.020 2 1094 429 106 PHE HB3 H 3.150 0.020 2 1095 429 106 PHE HD1 H 7.042 0.020 1 1096 429 106 PHE HD2 H 7.042 0.020 1 1097 429 106 PHE HE1 H 7.092 0.020 1 1098 429 106 PHE HE2 H 7.092 0.020 1 1099 429 106 PHE HZ H 6.956 0.020 1 1100 429 106 PHE C C 173.530 0.400 1 1101 429 106 PHE CA C 53.417 0.400 1 1102 429 106 PHE CB C 41.849 0.400 1 1103 429 106 PHE CD1 C 129.700 0.400 1 1104 429 106 PHE CD2 C 129.700 0.400 1 1105 429 106 PHE N N 124.864 0.400 1 1106 430 107 ARG H H 9.033 0.020 1 1107 430 107 ARG HA H 4.333 0.020 1 1108 430 107 ARG HB2 H 1.721 0.020 2 1109 430 107 ARG HB3 H 1.191 0.020 2 1110 430 107 ARG HD2 H 2.643 0.020 2 1111 430 107 ARG HD3 H 2.131 0.020 2 1112 430 107 ARG HG2 H 1.854 0.020 2 1113 430 107 ARG HG3 H 1.133 0.020 2 1114 430 107 ARG C C 174.340 0.400 1 1115 430 107 ARG CA C 54.941 0.400 1 1116 430 107 ARG CB C 30.249 0.400 1 1117 430 107 ARG CD C 40.808 0.400 1 1118 430 107 ARG CG C 25.771 0.400 1 1119 430 107 ARG N N 119.463 0.400 1 1120 431 108 LEU H H 8.560 0.020 1 1121 431 108 LEU HA H 3.873 0.020 1 1122 431 108 LEU HB2 H 1.970 0.020 2 1123 431 108 LEU HB3 H 1.663 0.020 2 1124 431 108 LEU HD1 H 0.950 0.020 2 1125 431 108 LEU HD2 H 0.949 0.020 2 1126 431 108 LEU HG H 1.841 0.020 1 1127 431 108 LEU C C 174.120 0.400 1 1128 431 108 LEU CA C 55.672 0.400 1 1129 431 108 LEU CB C 39.235 0.400 1 1130 431 108 LEU CD1 C 22.581 0.400 1 1131 431 108 LEU CD2 C 23.787 0.400 1 1132 431 108 LEU CG C 27.886 0.400 1 1133 431 108 LEU N N 117.452 0.400 1 1134 432 109 GLU H H 6.470 0.020 1 1135 432 109 GLU HA H 3.911 0.020 1 1136 432 109 GLU HB2 H 2.009 0.020 2 1137 432 109 GLU HB3 H 1.563 0.020 2 1138 432 109 GLU HG2 H 1.202 0.020 2 1139 432 109 GLU HG3 H 0.817 0.020 2 1140 432 109 GLU C C 172.090 0.400 1 1141 432 109 GLU CA C 54.745 0.400 1 1142 432 109 GLU CB C 26.806 0.400 1 1143 432 109 GLU CG C 31.904 0.400 1 1144 432 109 GLU N N 110.676 0.400 1 1145 433 110 PHE H H 6.774 0.020 1 1146 433 110 PHE HA H 4.726 0.020 1 1147 433 110 PHE HB2 H 2.688 0.020 2 1148 433 110 PHE HB3 H 3.849 0.020 2 1149 433 110 PHE HD1 H 7.325 0.020 1 1150 433 110 PHE HD2 H 7.325 0.020 1 1151 433 110 PHE HE1 H 7.290 0.020 1 1152 433 110 PHE HE2 H 7.290 0.020 1 1153 433 110 PHE HZ H 7.192 0.020 1 1154 433 110 PHE C C 173.510 0.400 1 1155 433 110 PHE CA C 55.665 0.400 1 1156 433 110 PHE CB C 36.569 0.400 1 1157 433 110 PHE CD1 C 128.370 0.400 1 1158 433 110 PHE CD2 C 128.370 0.400 1 1159 433 110 PHE N N 115.795 0.400 1 1160 434 111 VAL H H 7.494 0.020 1 1161 434 111 VAL HA H 4.001 0.020 1 1162 434 111 VAL HB H 2.002 0.020 1 1163 434 111 VAL HG1 H 0.843 0.020 2 1164 434 111 VAL HG2 H 1.052 0.020 2 1165 434 111 VAL C C 171.810 0.400 1 1166 434 111 VAL CA C 61.156 0.400 1 1167 434 111 VAL CB C 29.142 0.400 1 1168 434 111 VAL CG1 C 20.427 0.400 1 1169 434 111 VAL CG2 C 19.076 0.400 1 1170 434 111 VAL N N 123.840 0.400 1 1171 435 112 SER H H 8.996 0.020 1 1172 435 112 SER HA H 4.686 0.020 1 1173 435 112 SER HB2 H 3.925 0.020 2 1174 435 112 SER HB3 H 3.476 0.020 2 1175 435 112 SER C C 173.880 0.400 1 1176 435 112 SER CA C 54.176 0.400 1 1177 435 112 SER CB C 62.038 0.400 1 1178 435 112 SER N N 119.753 0.400 1 1179 436 113 ASN H H 9.773 0.020 1 1180 436 113 ASN HA H 4.820 0.020 1 1181 436 113 ASN HB2 H 2.910 0.020 2 1182 436 113 ASN HB3 H 2.803 0.020 2 1183 436 113 ASN HD21 H 6.522 0.020 2 1184 436 113 ASN HD22 H 7.797 0.020 2 1185 436 113 ASN C C 173.270 0.400 1 1186 436 113 ASN CA C 51.856 0.400 1 1187 436 113 ASN CB C 36.111 0.400 1 1188 436 113 ASN N N 125.135 0.400 1 1189 436 113 ASN ND2 N 113.560 0.400 1 1190 437 114 GLN H H 8.239 0.020 1 1191 437 114 GLN HA H 4.212 0.020 1 1192 437 114 GLN HB2 H 2.011 0.020 2 1193 437 114 GLN HB3 H 1.575 0.020 2 1194 437 114 GLN HE21 H 6.787 0.020 2 1195 437 114 GLN HE22 H 7.810 0.020 2 1196 437 114 GLN HG2 H 2.237 0.020 2 1197 437 114 GLN HG3 H 2.267 0.020 2 1198 437 114 GLN C C 170.500 0.400 1 1199 437 114 GLN CA C 52.413 0.400 1 1200 437 114 GLN CB C 27.187 0.400 1 1201 437 114 GLN CG C 31.647 0.400 1 1202 437 114 GLN N N 121.813 0.400 1 1203 437 114 GLN NE2 N 114.119 0.400 1 1204 438 115 GLU H H 7.630 0.020 1 1205 438 115 GLU HA H 3.521 0.020 1 1206 438 115 GLU HB2 H 1.735 0.020 2 1207 438 115 GLU HB3 H 1.658 0.020 2 1208 438 115 GLU HG2 H 2.080 0.020 2 1209 438 115 GLU HG3 H 1.994 0.020 2 1210 438 115 GLU C C 174.210 0.400 1 1211 438 115 GLU CA C 52.871 0.400 1 1212 438 115 GLU CB C 27.617 0.400 1 1213 438 115 GLU CG C 33.418 0.400 1 1214 438 115 GLU N N 114.958 0.400 1 1215 439 116 PHE H H 7.794 0.020 1 1216 439 116 PHE HA H 4.869 0.020 1 1217 439 116 PHE HB2 H 2.690 0.020 2 1218 439 116 PHE HB3 H 3.037 0.020 2 1219 439 116 PHE HD1 H 6.969 0.020 1 1220 439 116 PHE HD2 H 6.969 0.020 1 1221 439 116 PHE C C 175.000 0.400 1 1222 439 116 PHE CA C 53.725 0.400 1 1223 439 116 PHE CB C 36.759 0.400 1 1224 439 116 PHE CD1 C 128.950 0.400 1 1225 439 116 PHE CD2 C 128.950 0.400 1 1226 439 116 PHE N N 115.282 0.400 1 1227 440 117 THR H H 8.418 0.020 1 1228 440 117 THR HA H 4.482 0.020 1 1229 440 117 THR HB H 4.740 0.020 1 1230 440 117 THR HG2 H 1.265 0.020 1 1231 440 117 THR C C 172.870 0.400 1 1232 440 117 THR CA C 57.072 0.400 1 1233 440 117 THR CB C 68.901 0.400 1 1234 440 117 THR CG2 C 18.741 0.400 1 1235 440 117 THR N N 113.418 0.400 1 1236 441 118 GLU H H 9.082 0.020 1 1237 441 118 GLU HA H 3.920 0.020 1 1238 441 118 GLU HB2 H 2.177 0.020 2 1239 441 118 GLU HB3 H 2.177 0.020 2 1240 441 118 GLU HG2 H 2.315 0.020 2 1241 441 118 GLU HG3 H 2.315 0.020 2 1242 441 118 GLU C C 176.050 0.400 1 1243 441 118 GLU CA C 58.004 0.400 1 1244 441 118 GLU CB C 26.770 0.400 1 1245 441 118 GLU CG C 33.880 0.400 1 1246 441 118 GLU N N 121.347 0.400 1 1247 442 119 SER H H 8.619 0.020 1 1248 442 119 SER HA H 4.266 0.020 1 1249 442 119 SER HB2 H 3.974 0.020 2 1250 442 119 SER HB3 H 3.908 0.020 2 1251 442 119 SER C C 175.150 0.400 1 1252 442 119 SER CA C 58.875 0.400 1 1253 442 119 SER CB C 59.882 0.400 1 1254 442 119 SER N N 114.038 0.400 1 1255 443 120 GLU H H 7.743 0.020 1 1256 443 120 GLU HA H 4.075 0.020 1 1257 443 120 GLU HB2 H 1.980 0.020 2 1258 443 120 GLU HB3 H 1.882 0.020 2 1259 443 120 GLU HG2 H 2.385 0.020 2 1260 443 120 GLU HG3 H 2.169 0.020 2 1261 443 120 GLU C C 177.940 0.400 1 1262 443 120 GLU CA C 56.386 0.400 1 1263 443 120 GLU CB C 25.713 0.400 1 1264 443 120 GLU CG C 33.724 0.400 1 1265 443 120 GLU N N 122.412 0.400 1 1266 444 121 PHE H H 8.615 0.020 1 1267 444 121 PHE HA H 3.992 0.020 1 1268 444 121 PHE HB2 H 3.428 0.020 2 1269 444 121 PHE HB3 H 2.781 0.020 2 1270 444 121 PHE HD1 H 6.969 0.020 1 1271 444 121 PHE HD2 H 6.969 0.020 1 1272 444 121 PHE HE1 H 7.135 0.020 1 1273 444 121 PHE HE2 H 7.135 0.020 1 1274 444 121 PHE HZ H 6.821 0.020 1 1275 444 121 PHE C C 173.550 0.400 1 1276 444 121 PHE CA C 59.863 0.400 1 1277 444 121 PHE CB C 37.534 0.400 1 1278 444 121 PHE CD1 C 128.620 0.400 1 1279 444 121 PHE CD2 C 128.620 0.400 1 1280 444 121 PHE CE1 C 128.480 0.400 1 1281 444 121 PHE CE2 C 128.480 0.400 1 1282 444 121 PHE CZ C 126.260 0.400 1 1283 444 121 PHE N N 122.314 0.400 1 1284 445 122 MET H H 8.860 0.020 1 1285 445 122 MET HA H 4.076 0.020 1 1286 445 122 MET HB2 H 2.314 0.020 2 1287 445 122 MET HB3 H 2.189 0.020 2 1288 445 122 MET HG2 H 2.860 0.020 2 1289 445 122 MET HG3 H 2.860 0.020 2 1290 445 122 MET C C 176.650 0.400 1 1291 445 122 MET CA C 55.728 0.400 1 1292 445 122 MET CB C 28.880 0.400 1 1293 445 122 MET CG C 29.913 0.400 1 1294 445 122 MET N N 118.817 0.400 1 1295 446 123 LYS H H 8.271 0.020 1 1296 446 123 LYS HA H 4.107 0.020 1 1297 446 123 LYS HB2 H 2.036 0.020 2 1298 446 123 LYS HB3 H 2.036 0.020 2 1299 446 123 LYS HD2 H 1.734 0.020 2 1300 446 123 LYS HD3 H 1.734 0.020 2 1301 446 123 LYS HE2 H 2.979 0.020 2 1302 446 123 LYS HE3 H 2.979 0.020 2 1303 446 123 LYS HG2 H 1.706 0.020 2 1304 446 123 LYS HG3 H 1.627 0.020 2 1305 446 123 LYS C C 176.920 0.400 1 1306 446 123 LYS CA C 56.267 0.400 1 1307 446 123 LYS CB C 29.460 0.400 1 1308 446 123 LYS CD C 25.941 0.400 1 1309 446 123 LYS CE C 39.490 0.400 1 1310 446 123 LYS CG C 22.660 0.400 1 1311 446 123 LYS N N 120.075 0.400 1 1312 447 124 TRP H H 7.880 0.020 1 1313 447 124 TRP HA H 3.964 0.020 1 1314 447 124 TRP HB2 H 3.117 0.020 2 1315 447 124 TRP HB3 H 3.341 0.020 2 1316 447 124 TRP HD1 H 6.494 0.020 1 1317 447 124 TRP HE1 H 10.847 0.020 1 1318 447 124 TRP HE3 H 6.751 0.020 1 1319 447 124 TRP HH2 H 6.613 0.020 1 1320 447 124 TRP HZ2 H 7.455 0.020 1 1321 447 124 TRP HZ3 H 6.415 0.020 1 1322 447 124 TRP C C 173.590 0.400 1 1323 447 124 TRP CA C 58.530 0.400 1 1324 447 124 TRP CB C 24.593 0.400 1 1325 447 124 TRP CD1 C 122.370 0.400 1 1326 447 124 TRP CE3 C 116.745 0.400 1 1327 447 124 TRP CH2 C 120.224 0.400 1 1328 447 124 TRP CZ2 C 111.426 0.400 1 1329 447 124 TRP CZ3 C 118.639 0.400 1 1330 447 124 TRP N N 121.870 0.400 1 1331 447 124 TRP NE1 N 132.759 0.400 1 1332 448 125 LYS H H 8.352 0.020 1 1333 448 125 LYS HA H 2.683 0.020 1 1334 448 125 LYS HB2 H 1.502 0.020 2 1335 448 125 LYS HB3 H 1.346 0.020 2 1336 448 125 LYS HD2 H 1.542 0.020 2 1337 448 125 LYS HD3 H 1.542 0.020 2 1338 448 125 LYS HE2 H 2.857 0.020 2 1339 448 125 LYS HE3 H 2.857 0.020 2 1340 448 125 LYS HG2 H 1.010 0.020 2 1341 448 125 LYS HG3 H 0.850 0.020 2 1342 448 125 LYS C C 176.060 0.400 1 1343 448 125 LYS CA C 57.703 0.400 1 1344 448 125 LYS CB C 28.951 0.400 1 1345 448 125 LYS CD C 27.353 0.400 1 1346 448 125 LYS CE C 38.918 0.400 1 1347 448 125 LYS CG C 22.256 0.400 1 1348 448 125 LYS N N 119.895 0.400 1 1349 449 126 GLU H H 7.737 0.020 1 1350 449 126 GLU HA H 3.926 0.020 1 1351 449 126 GLU HB2 H 2.062 0.020 2 1352 449 126 GLU HB3 H 2.062 0.020 2 1353 449 126 GLU HG2 H 2.374 0.020 2 1354 449 126 GLU HG3 H 2.150 0.020 2 1355 449 126 GLU C C 176.310 0.400 1 1356 449 126 GLU CA C 56.639 0.400 1 1357 449 126 GLU CB C 26.703 0.400 1 1358 449 126 GLU CG C 33.591 0.400 1 1359 449 126 GLU N N 117.905 0.400 1 1360 450 127 ALA H H 7.831 0.020 1 1361 450 127 ALA HA H 4.028 0.020 1 1362 450 127 ALA HB H 1.188 0.020 1 1363 450 127 ALA C C 178.810 0.400 1 1364 450 127 ALA CA C 52.314 0.400 1 1365 450 127 ALA CB C 15.089 0.400 1 1366 450 127 ALA N N 124.837 0.400 1 1367 451 128 MET H H 8.118 0.020 1 1368 451 128 MET HA H 3.804 0.020 1 1369 451 128 MET HB2 H 1.420 0.020 2 1370 451 128 MET HB3 H 1.328 0.020 2 1371 451 128 MET HE H 1.731 0.020 1 1372 451 128 MET HG2 H 1.102 0.020 2 1373 451 128 MET HG3 H 0.406 0.020 2 1374 451 128 MET C C 175.600 0.400 1 1375 451 128 MET CA C 54.430 0.400 1 1376 451 128 MET CB C 27.117 0.400 1 1377 451 128 MET CE C 15.949 0.400 1 1378 451 128 MET CG C 27.985 0.400 1 1379 451 128 MET N N 119.034 0.400 1 1380 452 129 PHE H H 8.105 0.020 1 1381 452 129 PHE HA H 4.244 0.020 1 1382 452 129 PHE HB2 H 3.155 0.020 2 1383 452 129 PHE HB3 H 3.065 0.020 2 1384 452 129 PHE HD1 H 7.162 0.020 1 1385 452 129 PHE HD2 H 7.162 0.020 1 1386 452 129 PHE HE1 H 7.320 0.020 1 1387 452 129 PHE HE2 H 7.320 0.020 1 1388 452 129 PHE C C 178.390 0.400 1 1389 452 129 PHE CA C 57.603 0.400 1 1390 452 129 PHE CB C 35.290 0.400 1 1391 452 129 PHE CD1 C 128.450 0.400 1 1392 452 129 PHE CD2 C 128.450 0.400 1 1393 452 129 PHE N N 120.142 0.400 1 1394 453 130 SER H H 8.589 0.020 1 1395 453 130 SER HA H 4.056 0.020 1 1396 453 130 SER HB2 H 3.919 0.020 2 1397 453 130 SER HB3 H 3.959 0.020 2 1398 453 130 SER C C 172.570 0.400 1 1399 453 130 SER CA C 58.798 0.400 1 1400 453 130 SER CB C 60.107 0.400 1 1401 453 130 SER N N 116.860 0.400 1 1402 454 131 ALA H H 7.331 0.020 1 1403 454 131 ALA HA H 4.306 0.020 1 1404 454 131 ALA HB H 1.339 0.020 1 1405 454 131 ALA C C 174.580 0.400 1 1406 454 131 ALA CA C 49.098 0.400 1 1407 454 131 ALA CB C 16.998 0.400 1 1408 454 131 ALA N N 120.701 0.400 1 1409 455 132 GLY H H 7.729 0.020 1 1410 455 132 GLY HA2 H 3.813 0.020 2 1411 455 132 GLY HA3 H 3.689 0.020 2 1412 455 132 GLY C C 172.100 0.400 1 1413 455 132 GLY CA C 43.423 0.400 1 1414 455 132 GLY N N 108.731 0.400 1 1415 456 133 MET H H 7.891 0.020 1 1416 456 133 MET HA H 4.324 0.020 1 1417 456 133 MET HB2 H 1.894 0.020 2 1418 456 133 MET HB3 H 1.703 0.020 2 1419 456 133 MET HE H 1.917 0.020 1 1420 456 133 MET HG2 H 2.330 0.020 2 1421 456 133 MET HG3 H 2.223 0.020 2 1422 456 133 MET C C 172.160 0.400 1 1423 456 133 MET CA C 52.021 0.400 1 1424 456 133 MET CB C 31.751 0.400 1 1425 456 133 MET CE C 14.719 0.400 1 1426 456 133 MET CG C 29.631 0.400 1 1427 456 133 MET N N 119.109 0.400 1 1428 457 134 GLN H H 8.310 0.020 1 1429 457 134 GLN HA H 4.152 0.020 1 1430 457 134 GLN HB2 H 1.999 0.020 2 1431 457 134 GLN HB3 H 1.869 0.020 2 1432 457 134 GLN HE21 H 6.740 0.020 2 1433 457 134 GLN HE22 H 7.568 0.020 2 1434 457 134 GLN HG2 H 2.393 0.020 2 1435 457 134 GLN HG3 H 2.379 0.020 2 1436 457 134 GLN C C 172.880 0.400 1 1437 457 134 GLN CA C 52.437 0.400 1 1438 457 134 GLN CB C 27.144 0.400 1 1439 457 134 GLN CG C 31.197 0.400 1 1440 457 134 GLN N N 121.428 0.400 1 1441 457 134 GLN NE2 N 112.985 0.400 1 1442 458 135 LEU H H 7.993 0.020 1 1443 458 135 LEU HA H 4.160 0.020 1 1444 458 135 LEU HB2 H 1.715 0.020 2 1445 458 135 LEU HB3 H 1.560 0.020 2 1446 458 135 LEU HD1 H 0.307 0.020 2 1447 458 135 LEU HD2 H 0.758 0.020 2 1448 458 135 LEU HG H 1.667 0.020 1 1449 458 135 LEU C C 171.150 0.400 1 1450 458 135 LEU CA C 51.160 0.400 1 1451 458 135 LEU CB C 37.670 0.400 1 1452 458 135 LEU CD1 C 20.789 0.400 1 1453 458 135 LEU CD2 C 22.753 0.400 1 1454 458 135 LEU CG C 25.454 0.400 1 1455 458 135 LEU N N 123.448 0.400 1 1456 459 136 PRO HA H 4.712 0.020 1 1457 459 136 PRO HB2 H 2.512 0.020 2 1458 459 136 PRO HB3 H 1.815 0.020 2 1459 459 136 PRO HD2 H 3.679 0.020 2 1460 459 136 PRO HD3 H 4.114 0.020 2 1461 459 136 PRO HG2 H 2.311 0.020 2 1462 459 136 PRO HG3 H 1.974 0.020 2 1463 459 136 PRO CA C 59.837 0.400 1 1464 459 136 PRO CB C 29.531 0.400 1 1465 459 136 PRO CD C 47.558 0.400 1 1466 459 136 PRO CG C 24.731 0.400 1 1467 460 137 THR H H 8.348 0.020 1 1468 460 137 THR HA H 4.863 0.020 1 1469 460 137 THR HB H 4.660 0.020 1 1470 460 137 THR HG2 H 1.250 0.020 1 1471 460 137 THR C C 173.670 0.400 1 1472 460 137 THR CA C 57.266 0.400 1 1473 460 137 THR CB C 68.644 0.400 1 1474 460 137 THR CG2 C 19.347 0.400 1 1475 460 137 THR N N 110.543 0.400 1 1476 461 138 LEU H H 8.560 0.020 1 1477 461 138 LEU HA H 3.951 0.020 1 1478 461 138 LEU HB2 H 1.669 0.020 2 1479 461 138 LEU HB3 H 1.498 0.020 2 1480 461 138 LEU HD1 H 0.715 0.020 2 1481 461 138 LEU HD2 H 0.830 0.020 2 1482 461 138 LEU HG H 1.550 0.020 1 1483 461 138 LEU C C 177.010 0.400 1 1484 461 138 LEU CA C 54.694 0.400 1 1485 461 138 LEU CB C 37.790 0.400 1 1486 461 138 LEU CD1 C 19.723 0.400 1 1487 461 138 LEU CD2 C 21.698 0.400 1 1488 461 138 LEU CG C 24.917 0.400 1 1489 461 138 LEU N N 121.206 0.400 1 1490 462 139 ASP H H 8.628 0.020 1 1491 462 139 ASP HA H 4.424 0.020 1 1492 462 139 ASP HB2 H 2.553 0.020 2 1493 462 139 ASP HB3 H 2.553 0.020 2 1494 462 139 ASP C C 176.250 0.400 1 1495 462 139 ASP CA C 54.899 0.400 1 1496 462 139 ASP CB C 38.135 0.400 1 1497 462 139 ASP N N 119.097 0.400 1 1498 463 140 GLU H H 7.670 0.020 1 1499 463 140 GLU HA H 3.952 0.020 1 1500 463 140 GLU HB2 H 2.403 0.020 2 1501 463 140 GLU HB3 H 2.072 0.020 2 1502 463 140 GLU HG2 H 2.339 0.020 2 1503 463 140 GLU HG3 H 2.339 0.020 2 1504 463 140 GLU C C 177.420 0.400 1 1505 463 140 GLU CA C 56.870 0.400 1 1506 463 140 GLU CB C 26.713 0.400 1 1507 463 140 GLU CG C 34.490 0.400 1 1508 463 140 GLU N N 120.516 0.400 1 1509 464 141 ILE H H 8.036 0.020 1 1510 464 141 ILE HA H 3.787 0.020 1 1511 464 141 ILE HB H 2.150 0.020 1 1512 464 141 ILE HD1 H 0.673 0.020 1 1513 464 141 ILE HG12 H 1.547 0.020 2 1514 464 141 ILE HG13 H 1.307 0.020 2 1515 464 141 ILE HG2 H 0.912 0.020 1 1516 464 141 ILE C C 174.830 0.400 1 1517 464 141 ILE CA C 60.627 0.400 1 1518 464 141 ILE CB C 33.772 0.400 1 1519 464 141 ILE CD1 C 8.492 0.400 1 1520 464 141 ILE CG1 C 25.386 0.400 1 1521 464 141 ILE CG2 C 14.744 0.400 1 1522 464 141 ILE N N 120.753 0.400 1 1523 465 142 ASN H H 8.638 0.020 1 1524 465 142 ASN HA H 4.403 0.020 1 1525 465 142 ASN HB2 H 2.957 0.020 2 1526 465 142 ASN HB3 H 2.803 0.020 2 1527 465 142 ASN HD21 H 6.752 0.020 2 1528 465 142 ASN HD22 H 7.664 0.020 2 1529 465 142 ASN C C 175.540 0.400 1 1530 465 142 ASN CA C 53.641 0.400 1 1531 465 142 ASN CB C 35.751 0.400 1 1532 465 142 ASN N N 119.032 0.400 1 1533 465 142 ASN ND2 N 111.521 0.400 1 1534 466 143 LYS H H 7.897 0.020 1 1535 466 143 LYS HA H 3.987 0.020 1 1536 466 143 LYS HB2 H 1.893 0.020 2 1537 466 143 LYS HB3 H 1.893 0.020 2 1538 466 143 LYS HD2 H 1.630 0.020 2 1539 466 143 LYS HD3 H 1.630 0.020 2 1540 466 143 LYS HE2 H 2.921 0.020 2 1541 466 143 LYS HE3 H 2.921 0.020 2 1542 466 143 LYS HG2 H 1.607 0.020 2 1543 466 143 LYS HG3 H 1.442 0.020 2 1544 466 143 LYS C C 177.080 0.400 1 1545 466 143 LYS CA C 56.901 0.400 1 1546 466 143 LYS CB C 29.861 0.400 1 1547 466 143 LYS CD C 26.691 0.400 1 1548 466 143 LYS CE C 39.366 0.400 1 1549 466 143 LYS CG C 22.790 0.400 1 1550 466 143 LYS N N 119.031 0.400 1 1551 467 144 LYS H H 7.975 0.020 1 1552 467 144 LYS HA H 4.229 0.020 1 1553 467 144 LYS HB2 H 2.093 0.020 2 1554 467 144 LYS HB3 H 2.045 0.020 2 1555 467 144 LYS HD2 H 1.842 0.020 2 1556 467 144 LYS HD3 H 1.766 0.020 2 1557 467 144 LYS HE2 H 3.013 0.020 2 1558 467 144 LYS HE3 H 3.013 0.020 2 1559 467 144 LYS HG2 H 1.667 0.020 2 1560 467 144 LYS HG3 H 1.493 0.020 2 1561 467 144 LYS C C 176.230 0.400 1 1562 467 144 LYS CA C 54.786 0.400 1 1563 467 144 LYS CB C 28.388 0.400 1 1564 467 144 LYS CD C 25.218 0.400 1 1565 467 144 LYS CE C 40.165 0.400 1 1566 467 144 LYS CG C 21.315 0.400 1 1567 467 144 LYS N N 121.052 0.400 1 1568 468 145 GLU H H 8.863 0.020 1 1569 468 145 GLU HA H 3.835 0.020 1 1570 468 145 GLU HB2 H 1.973 0.020 2 1571 468 145 GLU HB3 H 2.212 0.020 2 1572 468 145 GLU HG2 H 2.386 0.020 2 1573 468 145 GLU HG3 H 2.110 0.020 2 1574 468 145 GLU C C 176.160 0.400 1 1575 468 145 GLU CA C 57.348 0.400 1 1576 468 145 GLU CB C 26.971 0.400 1 1577 468 145 GLU CG C 33.833 0.400 1 1578 468 145 GLU N N 121.754 0.400 1 1579 469 146 LEU H H 7.752 0.020 1 1580 469 146 LEU HA H 4.015 0.020 1 1581 469 146 LEU HB2 H 1.613 0.020 2 1582 469 146 LEU HB3 H 1.801 0.020 2 1583 469 146 LEU HD1 H 0.836 0.020 2 1584 469 146 LEU HD2 H 0.869 0.020 2 1585 469 146 LEU HG H 1.769 0.020 1 1586 469 146 LEU C C 176.690 0.400 1 1587 469 146 LEU CA C 55.382 0.400 1 1588 469 146 LEU CB C 38.763 0.400 1 1589 469 146 LEU CD1 C 20.959 0.400 1 1590 469 146 LEU CD2 C 22.136 0.400 1 1591 469 146 LEU CG C 24.088 0.400 1 1592 469 146 LEU N N 118.543 0.400 1 1593 470 147 SER H H 7.638 0.020 1 1594 470 147 SER HA H 4.222 0.020 1 1595 470 147 SER HB2 H 4.033 0.020 2 1596 470 147 SER HB3 H 4.032 0.020 2 1597 470 147 SER C C 174.220 0.400 1 1598 470 147 SER CA C 58.925 0.400 1 1599 470 147 SER CB C 60.394 0.400 1 1600 470 147 SER N N 114.710 0.400 1 1601 471 148 ILE H H 7.878 0.020 1 1602 471 148 ILE HA H 3.725 0.020 1 1603 471 148 ILE HB H 2.114 0.020 1 1604 471 148 ILE HD1 H 0.994 0.020 1 1605 471 148 ILE HG12 H 1.772 0.020 2 1606 471 148 ILE HG13 H 1.168 0.020 2 1607 471 148 ILE HG2 H 0.997 0.020 1 1608 471 148 ILE C C 175.090 0.400 1 1609 471 148 ILE CA C 62.117 0.400 1 1610 471 148 ILE CB C 35.681 0.400 1 1611 471 148 ILE CD1 C 11.579 0.400 1 1612 471 148 ILE CG1 C 25.421 0.400 1 1613 471 148 ILE CG2 C 15.015 0.400 1 1614 471 148 ILE N N 120.993 0.400 1 1615 472 149 LYS H H 7.833 0.020 1 1616 472 149 LYS HA H 4.004 0.020 1 1617 472 149 LYS HB2 H 1.903 0.020 2 1618 472 149 LYS HB3 H 1.903 0.020 2 1619 472 149 LYS HD2 H 1.625 0.020 2 1620 472 149 LYS HD3 H 1.625 0.020 2 1621 472 149 LYS HE2 H 2.935 0.020 2 1622 472 149 LYS HE3 H 2.940 0.020 2 1623 472 149 LYS HG2 H 1.589 0.020 2 1624 472 149 LYS HG3 H 1.446 0.020 2 1625 472 149 LYS C C 176.190 0.400 1 1626 472 149 LYS CA C 56.513 0.400 1 1627 472 149 LYS CB C 29.875 0.400 1 1628 472 149 LYS CD C 26.630 0.400 1 1629 472 149 LYS CE C 39.329 0.400 1 1630 472 149 LYS CG C 22.769 0.400 1 1631 472 149 LYS N N 119.720 0.400 1 1632 473 150 GLU H H 7.873 0.020 1 1633 473 150 GLU HA H 4.073 0.020 1 1634 473 150 GLU HB2 H 1.969 0.020 2 1635 473 150 GLU HB3 H 1.969 0.020 2 1636 473 150 GLU HG2 H 2.349 0.020 2 1637 473 150 GLU HG3 H 2.161 0.020 2 1638 473 150 GLU C C 174.550 0.400 1 1639 473 150 GLU CA C 54.885 0.400 1 1640 473 150 GLU CB C 27.267 0.400 1 1641 473 150 GLU CG C 33.784 0.400 1 1642 473 150 GLU N N 117.409 0.400 1 1643 474 151 ALA H H 7.411 0.020 1 1644 474 151 ALA HA H 3.927 0.020 1 1645 474 151 ALA HB H 0.948 0.020 1 1646 474 151 ALA C C 174.970 0.400 1 1647 474 151 ALA CA C 50.454 0.400 1 1648 474 151 ALA CB C 16.621 0.400 1 1649 474 151 ALA N N 121.401 0.400 1 1650 475 152 LEU H H 7.556 0.020 1 1651 475 152 LEU HA H 4.123 0.020 1 1652 475 152 LEU HB2 H 1.594 0.020 2 1653 475 152 LEU HB3 H 1.398 0.020 2 1654 475 152 LEU HD1 H 0.677 0.020 2 1655 475 152 LEU HD2 H 0.756 0.020 2 1656 475 152 LEU HG H 1.603 0.020 1 1657 475 152 LEU C C 173.400 0.400 1 1658 475 152 LEU CA C 52.058 0.400 1 1659 475 152 LEU CB C 39.311 0.400 1 1660 475 152 LEU CD1 C 20.477 0.400 1 1661 475 152 LEU CD2 C 22.844 0.400 1 1662 475 152 LEU CG C 23.822 0.400 1 1663 475 152 LEU N N 118.396 0.400 1 1664 476 153 ASN H H 7.536 0.020 1 1665 476 153 ASN HA H 4.446 0.020 1 1666 476 153 ASN HB2 H 2.759 0.020 2 1667 476 153 ASN HB3 H 2.671 0.020 2 1668 476 153 ASN HD21 H 6.755 0.020 2 1669 476 153 ASN HD22 H 7.473 0.020 2 1670 476 153 ASN C C 177.130 0.400 1 1671 476 153 ASN CA C 52.362 0.400 1 1672 476 153 ASN CB C 37.972 0.400 1 1673 476 153 ASN N N 123.736 0.400 1 1674 476 153 ASN ND2 N 112.767 0.400 1 stop_ save_