data_34049 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of a Spumaretrovirus Gag central domain reveals an ancient retroviral capsid ; _BMRB_accession_number 34049 _BMRB_flat_file_name bmr34049.str _Entry_type original _Submission_date 2016-10-07 _Accession_date 2016-10-07 _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 Nicastro G. . . 2 Ball N. . . 3 Taylor I. A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1447 "13C chemical shifts" 568 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-21 original BMRB . stop_ _Original_release_date 2019-03-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; A unique spumavirus Gag N-terminal domain with functional properties of orthoretroviral matrix and capsid. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23675305 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goldstone D. C. . 2 Flower T. G. . 3 Ball N. J. . 4 Sanz-Ramos M. . . 5 Yap M. W. . 6 Ogrodowicz R. W. . 7 Stanke N. . . 8 Reh J. . . 9 Lindemann D. . . 10 Stoye J. P. . 11 Taylor I. A. . stop_ _Journal_abbreviation 'PLoS Pathog.' _Journal_volume 9 _Journal_issue 5 _Journal_ISSN 1553-7374 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e1003376 _Page_last e1003376 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Gag protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 10949.391 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; RTHGTFPMHQLGNVIKGIVD QEGVATAYTLGMMLSGQNYQ LVSGIIRGYLPGQAVVTALQ QRLDQEIDDQTRAETFIQHL NAVYEILGLNARGQSIRLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 381 ARG 2 382 THR 3 383 HIS 4 384 GLY 5 385 THR 6 386 PHE 7 387 PRO 8 388 MET 9 389 HIS 10 390 GLN 11 391 LEU 12 392 GLY 13 393 ASN 14 394 VAL 15 395 ILE 16 396 LYS 17 397 GLY 18 398 ILE 19 399 VAL 20 400 ASP 21 401 GLN 22 402 GLU 23 403 GLY 24 404 VAL 25 405 ALA 26 406 THR 27 407 ALA 28 408 TYR 29 409 THR 30 410 LEU 31 411 GLY 32 412 MET 33 413 MET 34 414 LEU 35 415 SER 36 416 GLY 37 417 GLN 38 418 ASN 39 419 TYR 40 420 GLN 41 421 LEU 42 422 VAL 43 423 SER 44 424 GLY 45 425 ILE 46 426 ILE 47 427 ARG 48 428 GLY 49 429 TYR 50 430 LEU 51 431 PRO 52 432 GLY 53 433 GLN 54 434 ALA 55 435 VAL 56 436 VAL 57 437 THR 58 438 ALA 59 439 LEU 60 440 GLN 61 441 GLN 62 442 ARG 63 443 LEU 64 444 ASP 65 445 GLN 66 446 GLU 67 447 ILE 68 448 ASP 69 449 ASP 70 450 GLN 71 451 THR 72 452 ARG 73 453 ALA 74 454 GLU 75 455 THR 76 456 PHE 77 457 ILE 78 458 GLN 79 459 HIS 80 460 LEU 81 461 ASN 82 462 ALA 83 463 VAL 84 464 TYR 85 465 GLU 86 466 ILE 87 467 LEU 88 468 GLY 89 469 LEU 90 470 ASN 91 471 ALA 92 472 ARG 93 473 GLY 94 474 GLN 95 475 SER 96 476 ILE 97 477 ARG 98 478 LEU 99 479 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 SFVcpz(hu) 11963 Viruses . Spumavirus spumaretrovirus gag stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . 'Rosetta 2' Plasmid PET47B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.3 nM [U-13C; U-15N] GAG protein, 0.5 mM [U-13C; U-15N; U-2H] GAG protein, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N; U-2H]' NaCl 20 mM 'natural abundance' Tris 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 6 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 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' 40 . mM pH 7 . pH pressure 1 . Pa temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 water H 1 protons ppm 4.78 internal direct . . . 1.0 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 381 1 ARG HA H 4.439 0.002 . 2 381 1 ARG HB2 H 1.842 0.002 . 3 381 1 ARG HB3 H 1.789 0.003 . 4 381 1 ARG HG2 H 1.626 0.006 . 5 381 1 ARG HG3 H 1.626 0.006 . 6 381 1 ARG HD2 H 3.203 0.003 . 7 381 1 ARG HD3 H 3.203 0.003 . 8 381 1 ARG CA C 56.427 0.000 . 9 381 1 ARG CB C 30.801 0.000 . 10 381 1 ARG CG C 27.364 0.000 . 11 381 1 ARG CD C 43.302 0.000 . 12 382 2 THR HA H 4.352 0.001 . 13 382 2 THR HB H 4.207 0.002 . 14 382 2 THR HG2 H 1.157 0.003 . 15 382 2 THR CA C 61.739 0.000 . 16 382 2 THR CB C 70.177 0.000 . 17 383 3 HIS HA H 4.668 0.004 . 18 383 3 HIS HB2 H 3.159 0.003 . 19 383 3 HIS HB3 H 3.072 0.002 . 20 383 3 HIS HD2 H 6.986 0.004 . 21 383 3 HIS CA C 57.052 0.000 . 22 383 3 HIS CB C 31.426 0.000 . 23 384 4 GLY HA2 H 3.983 0.001 . 24 384 4 GLY HA3 H 3.983 0.001 . 25 384 4 GLY CA C 45.489 0.000 . 26 385 5 THR HA H 4.425 0.004 . 27 385 5 THR HB H 4.249 0.001 . 28 385 5 THR HG2 H 1.155 0.002 . 29 385 5 THR CA C 61.427 0.000 . 30 385 5 THR CB C 70.177 0.000 . 31 385 5 THR CG2 C 21.426 0.000 . 32 386 6 PHE HA H 4.555 0.002 . 33 386 6 PHE HB2 H 2.976 0.000 . 34 386 6 PHE HB3 H 2.939 0.001 . 35 386 6 PHE HD1 H 7.059 0.000 . 36 386 6 PHE HD2 H 7.059 0.000 . 37 386 6 PHE HE1 H 6.998 0.007 . 38 386 6 PHE HE2 H 6.998 0.007 . 39 386 6 PHE HZ H 6.912 0.003 . 40 386 6 PHE CA C 56.427 0.000 . 41 386 6 PHE CB C 40.802 0.000 . 42 387 7 PRO HA H 4.391 0.003 . 43 387 7 PRO HB2 H 1.990 0.004 . 44 387 7 PRO HB3 H 1.391 0.004 . 45 387 7 PRO HG2 H 1.703 0.006 . 46 387 7 PRO HG3 H 1.470 0.006 . 47 387 7 PRO HD2 H 3.468 0.004 . 48 387 7 PRO HD3 H 2.401 0.005 . 49 387 7 PRO CA C 62.052 0.000 . 50 387 7 PRO CB C 31.114 0.000 . 51 387 7 PRO CG C 27.676 0.000 . 52 387 7 PRO CD C 50.177 0.000 . 53 388 8 MET HA H 4.249 0.001 . 54 388 8 MET HB2 H 2.176 0.003 . 55 388 8 MET HB3 H 2.090 0.001 . 56 388 8 MET HG2 H 2.769 0.003 . 57 388 8 MET HG3 H 2.700 0.001 . 58 388 8 MET HE H 2.132 0.000 . 59 388 8 MET CA C 57.364 0.000 . 60 388 8 MET CB C 31.739 0.000 . 61 388 8 MET CG C 32.676 0.000 . 62 388 8 MET CE C 17.364 0.000 . 63 389 9 HIS HA H 4.520 0.001 . 64 389 9 HIS HB2 H 2.962 0.003 . 65 389 9 HIS HB3 H 2.962 0.003 . 66 389 9 HIS HD2 H 6.801 0.000 . 67 389 9 HIS HE1 H 7.631 0.007 . 68 389 9 HIS CA C 56.427 0.000 . 69 389 9 HIS CB C 31.114 0.000 . 70 390 10 GLN HA H 4.555 0.004 . 71 390 10 GLN HB2 H 2.307 0.004 . 72 390 10 GLN HB3 H 1.602 0.001 . 73 390 10 GLN HG2 H 1.900 0.001 . 74 390 10 GLN HG3 H 1.900 0.001 . 75 390 10 GLN CB C 29.239 0.000 . 76 390 10 GLN CG C 32.364 0.000 . 77 391 11 LEU HA H 4.311 0.002 . 78 391 11 LEU HB2 H 1.565 0.002 . 79 391 11 LEU HB3 H 1.499 0.002 . 80 391 11 LEU HG H 1.564 0.001 . 81 391 11 LEU HD1 H 0.902 0.004 . 82 391 11 LEU HD2 H 0.828 0.005 . 83 391 11 LEU CA C 55.177 0.000 . 84 391 11 LEU CB C 42.052 0.000 . 85 391 11 LEU CG C 27.364 0.000 . 86 391 11 LEU CD1 C 24.864 0.000 . 87 391 11 LEU CD2 C 23.614 0.000 . 88 392 12 GLY HA2 H 3.697 0.002 . 89 392 12 GLY HA3 H 4.067 0.003 . 90 392 12 GLY CA C 47.989 0.000 . 91 393 13 ASN HA H 4.502 0.004 . 92 393 13 ASN HB2 H 2.935 0.003 . 93 393 13 ASN HB3 H 2.721 0.001 . 94 393 13 ASN CA C 55.802 0.000 . 95 393 13 ASN CB C 38.301 0.000 . 96 394 14 VAL H H 8.039 0.006 . 97 394 14 VAL HA H 3.958 1.128 . 98 394 14 VAL HB H 2.196 0.002 . 99 394 14 VAL HG1 H 1.049 0.002 . 100 394 14 VAL HG2 H 0.746 0.001 . 101 394 14 VAL CA C 66.427 0.000 . 102 394 14 VAL CB C 31.739 0.000 . 103 394 14 VAL CG1 C 23.614 0.000 . 104 394 14 VAL CG2 C 21.114 0.000 . 105 395 15 ILE H H 8.592 0.004 . 106 395 15 ILE HA H 3.426 0.005 . 107 395 15 ILE HB H 2.002 0.005 . 108 395 15 ILE HG12 H 1.733 0.008 . 109 395 15 ILE HG13 H 0.995 0.002 . 110 395 15 ILE HG2 H 0.763 0.001 . 111 395 15 ILE HD1 H 0.752 0.001 . 112 395 15 ILE CA C 66.427 0.000 . 113 395 15 ILE CB C 37.364 0.000 . 114 395 15 ILE CG1 C 29.864 0.000 . 115 395 15 ILE CG2 C 17.989 0.000 . 116 395 15 ILE CD1 C 13.926 0.000 . 117 396 16 LYS H H 8.174 0.004 . 118 396 16 LYS HA H 3.196 0.006 . 119 396 16 LYS HB2 H 1.723 0.006 . 120 396 16 LYS HB3 H 1.723 0.006 . 121 396 16 LYS HG2 H 1.118 0.002 . 122 396 16 LYS HD2 H 1.601 0.002 . 123 396 16 LYS HD3 H 1.155 0.005 . 124 396 16 LYS HE2 H 2.932 0.001 . 125 396 16 LYS HE3 H 2.880 0.002 . 126 396 16 LYS CA C 59.864 0.000 . 127 396 16 LYS CB C 31.739 0.000 . 128 396 16 LYS CG C 24.239 0.000 . 129 396 16 LYS CD C 28.301 0.000 . 130 396 16 LYS CE C 42.364 0.000 . 131 397 17 GLY H H 7.605 0.005 . 132 397 17 GLY HA2 H 3.686 0.001 . 133 397 17 GLY HA3 H 3.932 0.004 . 134 397 17 GLY CA C 47.052 0.000 . 135 398 18 ILE H H 7.943 0.003 . 136 398 18 ILE HA H 3.759 0.005 . 137 398 18 ILE HB H 1.787 0.013 . 138 398 18 ILE HG2 H 0.778 0.004 . 139 398 18 ILE HD1 H 0.628 0.002 . 140 398 18 ILE CA C 64.552 0.000 . 141 398 18 ILE CB C 37.676 0.000 . 142 398 18 ILE CG2 C 18.614 0.000 . 143 398 18 ILE CD1 C 13.301 0.000 . 144 399 19 VAL H H 8.890 0.006 . 145 399 19 VAL HA H 3.163 0.002 . 146 399 19 VAL HB H 2.150 0.307 . 147 399 19 VAL HG1 H 0.766 0.026 . 148 399 19 VAL HG2 H 0.886 0.033 . 149 399 19 VAL CA C 67.364 0.000 . 150 399 19 VAL CB C 31.114 0.000 . 151 399 19 VAL CG1 C 23.926 0.000 . 152 399 19 VAL CG2 C 22.051 0.000 . 153 400 20 ASP H H 7.911 0.006 . 154 400 20 ASP HA H 4.342 0.002 . 155 400 20 ASP HB2 H 2.759 0.001 . 156 400 20 ASP HB3 H 2.659 0.004 . 157 400 20 ASP CA C 57.364 0.000 . 158 400 20 ASP CB C 40.802 0.000 . 159 401 21 GLN H H 7.471 0.007 . 160 401 21 GLN HA H 4.367 0.002 . 161 401 21 GLN HB2 H 2.109 0.002 . 162 401 21 GLN HB3 H 2.109 0.002 . 163 401 21 GLN HG2 H 2.535 0.001 . 164 401 21 GLN HG3 H 2.492 0.001 . 165 401 21 GLN HE22 H 6.787 0.003 . 166 401 21 GLN CA C 57.677 0.000 . 167 401 21 GLN CB C 31.426 0.000 . 168 401 21 GLN CG C 34.239 0.000 . 169 402 22 GLU H H 8.877 0.006 . 170 402 22 GLU HA H 4.655 0.002 . 171 402 22 GLU HB2 H 2.343 0.002 . 172 402 22 GLU HB3 H 1.719 0.003 . 173 402 22 GLU HG2 H 2.302 0.002 . 174 402 22 GLU HG3 H 2.141 0.001 . 175 402 22 GLU CA C 55.489 0.000 . 176 402 22 GLU CB C 32.676 0.000 . 177 402 22 GLU CG C 35.801 0.000 . 178 403 23 GLY H H 8.137 0.000 . 179 403 23 GLY HA2 H 4.128 0.002 . 180 403 23 GLY CA C 43.927 0.000 . 181 404 24 VAL H H 8.640 0.002 . 182 404 24 VAL HA H 3.555 0.003 . 183 404 24 VAL HB H 2.126 0.004 . 184 404 24 VAL HG1 H 1.181 0.001 . 185 404 24 VAL HG2 H 1.009 0.001 . 186 404 24 VAL CA C 66.739 0.000 . 187 404 24 VAL CB C 31.739 0.000 . 188 404 24 VAL CG1 C 23.926 0.000 . 189 404 24 VAL CG2 C 22.989 0.000 . 190 405 25 ALA H H 9.013 0.003 . 191 405 25 ALA HA H 3.931 0.002 . 192 405 25 ALA HB H 1.476 0.004 . 193 405 25 ALA CA C 56.427 0.000 . 194 405 25 ALA CB C 17.989 0.000 . 195 406 26 THR H H 8.369 0.008 . 196 406 26 THR HA H 3.867 0.007 . 197 406 26 THR HB H 3.726 0.006 . 198 406 26 THR HG2 H 1.074 0.002 . 199 406 26 THR CA C 66.739 0.000 . 200 406 26 THR CB C 68.302 0.000 . 201 406 26 THR CG2 C 22.051 0.000 . 202 407 27 ALA H H 7.612 0.009 . 203 407 27 ALA HA H 3.746 0.001 . 204 407 27 ALA HB H 1.406 0.003 . 205 407 27 ALA CA C 55.802 0.000 . 206 407 27 ALA CB C 20.489 0.000 . 207 408 28 TYR H H 9.004 0.004 . 208 408 28 TYR HA H 3.640 0.002 . 209 408 28 TYR HB2 H 3.261 0.005 . 210 408 28 TYR HB3 H 2.707 0.010 . 211 408 28 TYR HD1 H 6.816 0.006 . 212 408 28 TYR HD2 H 6.816 0.006 . 213 408 28 TYR CA C 62.052 0.000 . 214 408 28 TYR CB C 37.989 0.000 . 215 409 29 THR H H 8.208 0.003 . 216 409 29 THR HA H 3.578 0.001 . 217 409 29 THR HB H 4.227 0.004 . 218 409 29 THR HG2 H 1.253 0.003 . 219 409 29 THR CA C 67.052 0.000 . 220 409 29 THR CB C 68.614 0.000 . 221 409 29 THR CG2 C 21.739 0.000 . 222 410 30 LEU H H 8.363 0.006 . 223 410 30 LEU HA H 4.045 0.003 . 224 410 30 LEU HB2 H 1.683 0.006 . 225 410 30 LEU HB3 H 1.231 0.003 . 226 410 30 LEU HG H 1.662 0.001 . 227 410 30 LEU HD1 H 0.716 0.003 . 228 410 30 LEU HD2 H 0.694 0.003 . 229 410 30 LEU CA C 57.677 0.000 . 230 410 30 LEU CB C 41.427 0.000 . 231 410 30 LEU CG C 27.676 0.000 . 232 410 30 LEU CD1 C 25.176 0.000 . 233 410 30 LEU CD2 C 23.926 0.000 . 234 411 31 GLY H H 8.836 0.000 . 235 411 31 GLY HA2 H 3.312 0.001 . 236 411 31 GLY HA3 H 3.416 0.005 . 237 411 31 GLY CA C 47.364 0.000 . 238 412 32 MET H H 8.622 0.000 . 239 412 32 MET HA H 3.875 0.001 . 240 412 32 MET HB2 H 2.066 0.016 . 241 412 32 MET HB3 H 1.639 0.005 . 242 412 32 MET HE H 2.069 0.002 . 243 412 32 MET CA C 57.989 0.000 . 244 412 32 MET CE C 17.989 0.000 . 245 413 33 MET H H 7.609 0.014 . 246 413 33 MET HA H 4.044 0.003 . 247 413 33 MET HB2 H 2.178 0.005 . 248 413 33 MET HB3 H 2.141 0.004 . 249 413 33 MET HG2 H 2.693 0.003 . 250 413 33 MET HG3 H 2.349 0.002 . 251 413 33 MET HE H 1.940 0.001 . 252 413 33 MET CA C 59.552 0.000 . 253 413 33 MET CB C 32.676 0.000 . 254 413 33 MET CG C 31.739 0.000 . 255 413 33 MET CE C 17.051 0.000 . 256 414 34 LEU H H 8.307 0.005 . 257 414 34 LEU HA H 3.873 0.003 . 258 414 34 LEU HB3 H 1.380 0.002 . 259 414 34 LEU HG H 1.607 0.003 . 260 414 34 LEU HD1 H 0.240 0.002 . 261 414 34 LEU HD2 H 0.447 0.002 . 262 414 34 LEU CA C 57.052 0.000 . 263 414 34 LEU CB C 42.364 0.000 . 264 414 34 LEU CG C 26.426 0.000 . 265 414 34 LEU CD1 C 25.176 0.000 . 266 414 34 LEU CD2 C 22.364 0.000 . 267 415 35 SER H H 7.631 0.006 . 268 415 35 SER HA H 4.489 0.003 . 269 415 35 SER HB2 H 4.217 0.005 . 270 415 35 SER HB3 H 3.664 0.001 . 271 415 35 SER CA C 58.614 0.000 . 272 415 35 SER CB C 65.802 0.000 . 273 416 36 GLY H H 7.559 0.000 . 274 416 36 GLY HA2 H 3.898 0.000 . 275 416 36 GLY HA3 H 3.898 0.000 . 276 416 36 GLY CA C 47.364 0.000 . 277 417 37 GLN H H 9.192 0.002 . 278 417 37 GLN HA H 3.553 0.003 . 279 417 37 GLN HB2 H 2.457 0.003 . 280 417 37 GLN HB3 H 2.135 0.029 . 281 417 37 GLN HG2 H 2.311 0.002 . 282 417 37 GLN HG3 H 2.164 0.007 . 283 417 37 GLN HE21 H 7.570 0.000 . 284 417 37 GLN HE22 H 6.773 0.001 . 285 417 37 GLN CA C 55.802 0.000 . 286 417 37 GLN CB C 24.551 0.000 . 287 417 37 GLN CG C 32.989 0.000 . 288 418 38 ASN H H 7.241 0.004 . 289 418 38 ASN HA H 4.216 0.000 . 290 418 38 ASN HB2 H 3.033 0.003 . 291 418 38 ASN HB3 H 2.661 0.001 . 292 418 38 ASN HD22 H 6.949 0.000 . 293 418 38 ASN CB C 37.051 0.000 . 294 419 39 TYR H H 7.909 0.000 . 295 419 39 TYR HA H 4.076 0.005 . 296 419 39 TYR HB2 H 3.179 0.003 . 297 419 39 TYR HB3 H 2.832 0.002 . 298 419 39 TYR HD1 H 7.069 0.000 . 299 419 39 TYR HD2 H 7.069 0.000 . 300 419 39 TYR HE1 H 6.758 0.001 . 301 419 39 TYR HE2 H 6.758 0.001 . 302 419 39 TYR CA C 62.364 0.000 . 303 419 39 TYR CB C 40.177 0.000 . 304 420 40 GLN H H 9.295 0.003 . 305 420 40 GLN HA H 3.442 0.003 . 306 420 40 GLN HB2 H 2.155 0.001 . 307 420 40 GLN HB3 H 2.099 0.002 . 308 420 40 GLN HG2 H 2.592 0.001 . 309 420 40 GLN HG3 H 2.511 0.001 . 310 420 40 GLN CA C 60.177 0.000 . 311 420 40 GLN CB C 27.989 0.000 . 312 420 40 GLN CG C 33.926 0.000 . 313 421 41 LEU H H 7.135 0.004 . 314 421 41 LEU HA H 4.040 0.004 . 315 421 41 LEU HB2 H 1.466 0.008 . 316 421 41 LEU HB3 H 1.466 0.008 . 317 421 41 LEU HG H 1.322 0.002 . 318 421 41 LEU HD1 H 0.887 0.001 . 319 421 41 LEU HD2 H 0.915 0.003 . 320 421 41 LEU CA C 57.364 0.000 . 321 421 41 LEU CB C 43.302 0.000 . 322 421 41 LEU CG C 27.051 0.000 . 323 421 41 LEU CD1 C 26.739 0.000 . 324 421 41 LEU CD2 C 22.989 0.000 . 325 422 42 VAL H H 8.154 0.004 . 326 422 42 VAL HA H 3.123 0.001 . 327 422 42 VAL HB H 1.747 0.008 . 328 422 42 VAL HG1 H 0.671 0.111 . 329 422 42 VAL CA C 67.364 0.000 . 330 422 42 VAL CB C 31.739 0.000 . 331 422 42 VAL CG1 C 23.668 1.786 . 332 423 43 SER H H 8.639 0.006 . 333 423 43 SER HA H 3.563 0.000 . 334 423 43 SER HB2 H 3.551 0.001 . 335 423 43 SER HB3 H 3.124 0.003 . 336 423 43 SER CB C 62.052 0.000 . 337 424 44 GLY H H 7.210 0.004 . 338 424 44 GLY HA2 H 3.777 0.003 . 339 424 44 GLY HA3 H 3.929 0.002 . 340 424 44 GLY CA C 47.052 0.000 . 341 425 45 ILE H H 7.510 0.008 . 342 425 45 ILE HA H 3.730 0.003 . 343 425 45 ILE HB H 1.761 0.002 . 344 425 45 ILE HG12 H 1.872 0.004 . 345 425 45 ILE HG13 H 1.028 0.004 . 346 425 45 ILE HG2 H 1.006 0.001 . 347 425 45 ILE HD1 H 0.727 0.003 . 348 425 45 ILE CA C 64.552 0.000 . 349 425 45 ILE CB C 39.239 0.000 . 350 425 45 ILE CG1 C 28.614 0.000 . 351 425 45 ILE CG2 C 18.614 0.000 . 352 425 45 ILE CD1 C 13.926 0.000 . 353 426 46 ILE H H 8.570 0.005 . 354 426 46 ILE HA H 3.735 0.003 . 355 426 46 ILE HB H 2.061 0.002 . 356 426 46 ILE HG12 H 1.505 0.006 . 357 426 46 ILE HG13 H 1.505 0.006 . 358 426 46 ILE HG2 H 1.003 0.002 . 359 426 46 ILE HD1 H 0.788 0.005 . 360 426 46 ILE CA C 63.302 0.000 . 361 426 46 ILE CB C 36.739 0.000 . 362 426 46 ILE CG1 C 30.176 0.000 . 363 426 46 ILE CG2 C 18.926 0.000 . 364 426 46 ILE CD1 C 12.051 0.000 . 365 427 47 ARG H H 7.938 0.005 . 366 427 47 ARG HA H 3.924 0.003 . 367 427 47 ARG HB2 H 2.048 0.003 . 368 427 47 ARG HB3 H 1.819 0.003 . 369 427 47 ARG HG2 H 1.815 0.001 . 370 427 47 ARG HG3 H 1.642 0.002 . 371 427 47 ARG HD2 H 3.228 0.003 . 372 427 47 ARG HD3 H 3.228 0.003 . 373 427 47 ARG CA C 59.864 0.000 . 374 427 47 ARG CB C 30.176 0.000 . 375 427 47 ARG CG C 28.301 0.000 . 376 427 47 ARG CD C 43.614 0.000 . 377 428 48 GLY H H 7.222 0.011 . 378 428 48 GLY HA2 H 3.601 0.000 . 379 428 48 GLY HA3 H 4.000 0.001 . 380 428 48 GLY CA C 45.802 0.000 . 381 429 49 TYR H H 8.017 0.002 . 382 429 49 TYR HA H 4.935 0.005 . 383 429 49 TYR HB2 H 3.524 0.003 . 384 429 49 TYR HB3 H 2.617 0.003 . 385 429 49 TYR HD1 H 7.039 0.012 . 386 429 49 TYR HD2 H 7.039 0.012 . 387 429 49 TYR HE1 H 6.709 0.006 . 388 429 49 TYR HE2 H 6.709 0.006 . 389 429 49 TYR CA C 56.427 0.000 . 390 429 49 TYR CB C 39.864 0.000 . 391 430 50 LEU H H 7.177 0.000 . 392 430 50 LEU HA H 4.505 0.002 . 393 430 50 LEU HB2 H 1.940 0.001 . 394 430 50 LEU HB3 H 1.940 0.001 . 395 430 50 LEU HG H 2.285 0.002 . 396 430 50 LEU HD1 H 0.978 0.007 . 397 430 50 LEU HD2 H 1.104 0.002 . 398 430 50 LEU CA C 53.614 0.000 . 399 430 50 LEU CB C 40.802 0.000 . 400 430 50 LEU CG C 26.426 0.000 . 401 430 50 LEU CD1 C 23.926 0.000 . 402 430 50 LEU CD2 C 22.989 0.000 . 403 431 51 PRO HA H 4.661 0.007 . 404 431 51 PRO HB2 H 2.194 0.001 . 405 431 51 PRO HB3 H 2.194 0.001 . 406 431 51 PRO HG2 H 2.167 0.001 . 407 431 51 PRO HG3 H 1.958 0.001 . 408 431 51 PRO HD2 H 3.945 0.006 . 409 431 51 PRO HD3 H 3.584 0.003 . 410 431 51 PRO CA C 63.614 0.000 . 411 431 51 PRO CB C 29.551 0.000 . 412 431 51 PRO CG C 28.301 0.000 . 413 431 51 PRO CD C 51.427 0.000 . 414 432 52 GLY H H 7.550 0.000 . 415 432 52 GLY HA2 H 3.955 0.003 . 416 432 52 GLY HA3 H 4.449 0.003 . 417 432 52 GLY CA C 44.864 0.000 . 418 433 53 GLN HA H 3.968 0.001 . 419 433 53 GLN HB2 H 2.157 0.000 . 420 433 53 GLN HB3 H 2.059 0.001 . 421 433 53 GLN HG2 H 2.440 0.001 . 422 433 53 GLN HG3 H 2.440 0.001 . 423 433 53 GLN HE21 H 7.488 0.000 . 424 433 53 GLN HE22 H 6.864 0.000 . 425 433 53 GLN CA C 58.614 0.000 . 426 433 53 GLN CB C 28.614 0.000 . 427 433 53 GLN CG C 33.614 0.000 . 428 434 54 ALA HA H 4.132 0.003 . 429 434 54 ALA HB H 1.446 0.001 . 430 434 54 ALA CA C 55.177 0.000 . 431 434 54 ALA CB C 18.301 0.000 . 432 435 55 VAL H H 7.388 0.004 . 433 435 55 VAL HA H 3.494 0.004 . 434 435 55 VAL HB H 2.126 0.002 . 435 435 55 VAL HG1 H 1.101 0.003 . 436 435 55 VAL HG2 H 0.886 0.000 . 437 435 55 VAL CA C 65.489 0.000 . 438 435 55 VAL CB C 31.114 0.000 . 439 435 55 VAL CG1 C 23.301 0.000 . 440 435 55 VAL CG2 C 23.301 0.000 . 441 436 56 VAL H H 7.587 0.006 . 442 436 56 VAL HA H 3.401 0.001 . 443 436 56 VAL HB H 2.199 0.004 . 444 436 56 VAL HG1 H 1.102 0.005 . 445 436 56 VAL HG2 H 0.952 0.001 . 446 436 56 VAL CA C 67.052 0.000 . 447 436 56 VAL CB C 32.051 0.000 . 448 436 56 VAL CG1 C 23.614 0.000 . 449 436 56 VAL CG2 C 21.426 0.000 . 450 437 57 THR H H 8.499 0.004 . 451 437 57 THR HA H 3.907 0.001 . 452 437 57 THR HB H 4.087 0.001 . 453 437 57 THR HG2 H 1.241 0.002 . 454 437 57 THR CA C 66.114 0.000 . 455 437 57 THR CB C 69.239 0.000 . 456 437 57 THR CG2 C 21.739 0.000 . 457 438 58 ALA H H 7.533 0.004 . 458 438 58 ALA HA H 4.163 0.004 . 459 438 58 ALA HB H 1.535 0.000 . 460 438 58 ALA CA C 55.177 0.000 . 461 438 58 ALA CB C 19.239 0.000 . 462 439 59 LEU H H 8.767 0.005 . 463 439 59 LEU HA H 3.862 0.002 . 464 439 59 LEU HB2 H 1.971 0.004 . 465 439 59 LEU HB3 H 1.291 0.004 . 466 439 59 LEU HG H 0.608 0.001 . 467 439 59 LEU HD2 H 0.439 0.001 . 468 439 59 LEU CA C 57.989 0.000 . 469 439 59 LEU CB C 42.677 0.000 . 470 439 59 LEU CG C 26.426 0.000 . 471 439 59 LEU CD2 C 22.676 0.000 . 472 440 60 GLN H H 8.405 0.007 . 473 440 60 GLN HA H 3.709 0.004 . 474 440 60 GLN HB2 H 2.283 0.002 . 475 440 60 GLN HB3 H 2.106 0.001 . 476 440 60 GLN HG2 H 2.499 0.001 . 477 440 60 GLN HG3 H 2.356 0.003 . 478 440 60 GLN HE21 H 8.035 0.001 . 479 440 60 GLN HE22 H 6.714 0.002 . 480 440 60 GLN CA C 58.927 0.000 . 481 440 60 GLN CB C 28.301 0.000 . 482 440 60 GLN CG C 33.614 0.000 . 483 441 61 GLN H H 7.726 0.005 . 484 441 61 GLN HA H 4.015 0.001 . 485 441 61 GLN HB2 H 2.130 0.001 . 486 441 61 GLN HB3 H 2.040 0.004 . 487 441 61 GLN HG2 H 2.543 0.004 . 488 441 61 GLN HG3 H 2.349 0.004 . 489 441 61 GLN HE21 H 7.373 0.000 . 490 441 61 GLN CA C 58.927 0.000 . 491 441 61 GLN CB C 28.301 0.000 . 492 441 61 GLN CG C 33.926 0.000 . 493 442 62 ARG H H 6.908 0.005 . 494 442 62 ARG HA H 3.720 0.003 . 495 442 62 ARG HB2 H 1.716 0.004 . 496 442 62 ARG HB3 H 1.455 0.006 . 497 442 62 ARG HG2 H 1.606 0.005 . 498 442 62 ARG HG3 H 1.319 0.002 . 499 442 62 ARG HD2 H 3.093 0.001 . 500 442 62 ARG HD3 H 3.014 0.000 . 501 442 62 ARG CA C 58.927 0.000 . 502 442 62 ARG CB C 29.239 0.000 . 503 442 62 ARG CG C 26.739 0.000 . 504 442 62 ARG CD C 43.302 0.000 . 505 443 63 LEU H H 8.148 0.002 . 506 443 63 LEU HA H 3.763 0.003 . 507 443 63 LEU HB2 H 1.851 0.005 . 508 443 63 LEU HB3 H 1.254 0.004 . 509 443 63 LEU HG H 1.615 0.003 . 510 443 63 LEU HD1 H 0.950 0.003 . 511 443 63 LEU HD2 H 0.946 0.002 . 512 443 63 LEU CA C 57.989 0.000 . 513 443 63 LEU CB C 41.427 0.000 . 514 443 63 LEU CG C 26.739 0.000 . 515 443 63 LEU CD1 C 25.801 0.000 . 516 443 63 LEU CD2 C 22.676 0.000 . 517 444 64 ASP H H 8.866 0.009 . 518 444 64 ASP HA H 4.385 0.001 . 519 444 64 ASP HB2 H 2.740 0.009 . 520 444 64 ASP HB3 H 2.633 0.007 . 521 444 64 ASP CA C 56.739 0.000 . 522 444 64 ASP CB C 40.489 0.000 . 523 445 65 GLN H H 6.989 0.003 . 524 445 65 GLN HA H 4.206 0.004 . 525 445 65 GLN HB2 H 2.220 0.002 . 526 445 65 GLN HB3 H 2.063 0.002 . 527 445 65 GLN HG2 H 2.549 0.000 . 528 445 65 GLN HG3 H 2.437 0.004 . 529 445 65 GLN CA C 56.114 0.000 . 530 445 65 GLN CB C 29.239 0.000 . 531 445 65 GLN CG C 33.926 0.000 . 532 446 66 GLU H H 7.231 0.002 . 533 446 66 GLU HA H 4.657 0.000 . 534 446 66 GLU HB3 H 1.946 0.004 . 535 446 66 GLU CB C 29.551 0.000 . 536 447 67 ILE H H 8.568 0.482 . 537 447 67 ILE HA H 3.956 0.003 . 538 447 67 ILE HB H 1.901 0.004 . 539 447 67 ILE HG12 H 1.482 0.003 . 540 447 67 ILE HG13 H 1.287 0.002 . 541 447 67 ILE HG2 H 0.989 0.004 . 542 447 67 ILE HD1 H 0.913 0.003 . 543 447 67 ILE CA C 63.927 0.000 . 544 447 67 ILE CB C 39.551 0.000 . 545 447 67 ILE CG1 C 27.676 0.000 . 546 447 67 ILE CG2 C 17.989 0.000 . 547 447 67 ILE CD1 C 13.926 0.000 . 548 448 68 ASP H H 7.304 0.001 . 549 448 68 ASP HA H 4.609 0.000 . 550 448 68 ASP HB2 H 3.113 0.000 . 551 448 68 ASP HB3 H 2.993 0.000 . 552 448 68 ASP CA C 52.989 0.000 . 553 449 69 ASP HB2 H 2.706 0.000 . 554 450 70 GLN H H 8.384 0.002 . 555 450 70 GLN HA H 3.961 0.003 . 556 450 70 GLN HB2 H 2.157 0.002 . 557 450 70 GLN HB3 H 2.013 0.003 . 558 450 70 GLN HG2 H 2.429 0.002 . 559 450 70 GLN HG3 H 2.352 0.002 . 560 450 70 GLN HE21 H 7.760 0.000 . 561 450 70 GLN CA C 58.927 0.000 . 562 450 70 GLN CB C 27.676 0.000 . 563 450 70 GLN CG C 33.614 0.000 . 564 451 71 THR H H 8.599 0.001 . 565 451 71 THR HA H 4.057 0.003 . 566 451 71 THR HB H 4.177 0.005 . 567 451 71 THR HG2 H 1.373 0.002 . 568 451 71 THR CA C 66.739 0.000 . 569 451 71 THR CB C 68.302 0.000 . 570 451 71 THR CG2 C 22.364 0.000 . 571 452 72 ARG H H 8.131 0.000 . 572 452 72 ARG HA H 3.652 0.001 . 573 452 72 ARG CA C 61.427 0.000 . 574 453 73 ALA H H 7.903 0.005 . 575 453 73 ALA HA H 4.327 0.005 . 576 453 73 ALA HB H 1.414 0.002 . 577 453 73 ALA CA C 53.927 0.000 . 578 453 73 ALA CB C 18.301 0.000 . 579 454 74 GLU H H 7.664 0.004 . 580 454 74 GLU HA H 4.275 0.002 . 581 454 74 GLU HB2 H 2.258 0.000 . 582 454 74 GLU HB3 H 2.205 0.002 . 583 454 74 GLU HG2 H 2.544 0.002 . 584 454 74 GLU HG3 H 2.376 0.001 . 585 454 74 GLU CA C 57.989 0.000 . 586 454 74 GLU CB C 30.801 0.000 . 587 454 74 GLU CG C 36.426 0.000 . 588 455 75 THR H H 7.902 0.007 . 589 455 75 THR HA H 4.405 0.003 . 590 455 75 THR HB H 3.956 0.000 . 591 455 75 THR HG2 H 1.159 0.004 . 592 455 75 THR CA C 62.364 0.000 . 593 455 75 THR CB C 70.489 0.000 . 594 455 75 THR CG2 C 21.739 0.000 . 595 456 76 PHE H H 7.730 0.036 . 596 456 76 PHE HA H 3.765 0.006 . 597 456 76 PHE HB2 H 3.505 0.005 . 598 456 76 PHE HB3 H 2.602 0.003 . 599 456 76 PHE HD1 H 6.716 0.000 . 600 456 76 PHE HD2 H 6.716 0.000 . 601 456 76 PHE CA C 63.614 0.000 . 602 456 76 PHE CB C 40.180 0.000 . 603 457 77 ILE H H 8.417 0.006 . 604 457 77 ILE HA H 3.500 0.003 . 605 457 77 ILE HB H 1.935 0.003 . 606 457 77 ILE HG12 H 1.804 0.005 . 607 457 77 ILE HG13 H 1.298 0.004 . 608 457 77 ILE HG2 H 0.872 0.004 . 609 457 77 ILE HD1 H 1.081 0.006 . 610 457 77 ILE CA C 63.927 0.000 . 611 457 77 ILE CB C 36.426 0.000 . 612 457 77 ILE CG1 C 28.926 0.000 . 613 457 77 ILE CG2 C 17.676 0.000 . 614 457 77 ILE CD1 C 12.364 0.000 . 615 458 78 GLN H H 7.850 0.042 . 616 458 78 GLN HA H 3.949 0.003 . 617 458 78 GLN HB2 H 1.983 0.004 . 618 458 78 GLN HB3 H 1.871 0.002 . 619 458 78 GLN HG2 H 2.247 0.002 . 620 458 78 GLN HG3 H 2.178 0.001 . 621 458 78 GLN HE21 H 7.222 0.006 . 622 458 78 GLN HE22 H 6.774 0.000 . 623 458 78 GLN CA C 59.239 0.000 . 624 458 78 GLN CB C 27.989 0.000 . 625 458 78 GLN CG C 33.614 0.000 . 626 459 79 HIS H H 8.370 0.003 . 627 459 79 HIS HB2 H 2.821 0.001 . 628 459 79 HIS HB3 H 2.510 0.004 . 629 459 79 HIS HE1 H 7.591 0.003 . 630 459 79 HIS CB C 31.426 0.000 . 631 460 80 LEU H H 8.656 0.004 . 632 460 80 LEU HA H 3.496 0.005 . 633 460 80 LEU HB2 H 1.655 0.010 . 634 460 80 LEU HB3 H 0.918 0.002 . 635 460 80 LEU HG H 0.599 0.004 . 636 460 80 LEU HD1 H 0.561 0.002 . 637 460 80 LEU HD2 H 0.652 0.192 . 638 460 80 LEU CA C 58.614 0.000 . 639 460 80 LEU CB C 42.052 0.000 . 640 460 80 LEU CG C 26.426 0.000 . 641 460 80 LEU CD1 C 24.551 0.000 . 642 460 80 LEU CD2 C 24.942 1.513 . 643 461 81 ASN H H 8.660 0.006 . 644 461 81 ASN HA H 4.208 0.002 . 645 461 81 ASN HB2 H 2.789 0.002 . 646 461 81 ASN HB3 H 2.716 0.003 . 647 461 81 ASN HD21 H 7.299 0.000 . 648 461 81 ASN HD22 H 6.594 0.003 . 649 461 81 ASN CA C 55.802 0.000 . 650 461 81 ASN CB C 37.676 0.000 . 651 462 82 ALA H H 7.920 0.005 . 652 462 82 ALA HA H 4.234 0.003 . 653 462 82 ALA HB H 1.591 0.002 . 654 462 82 ALA CA C 55.489 0.000 . 655 462 82 ALA CB C 17.989 0.000 . 656 463 83 VAL H H 8.362 0.004 . 657 463 83 VAL HA H 4.028 1.305 . 658 463 83 VAL HB H 2.406 0.005 . 659 463 83 VAL HG1 H 1.107 0.002 . 660 463 83 VAL HG2 H 1.004 0.002 . 661 463 83 VAL CA C 66.427 0.000 . 662 463 83 VAL CB C 31.739 0.000 . 663 463 83 VAL CG1 C 23.301 0.000 . 664 463 83 VAL CG2 C 23.301 0.000 . 665 464 84 TYR H H 9.022 0.006 . 666 464 84 TYR HA H 4.132 0.001 . 667 464 84 TYR HB2 H 3.272 0.002 . 668 464 84 TYR HB3 H 3.149 0.003 . 669 464 84 TYR HD1 H 6.969 0.006 . 670 464 84 TYR HD2 H 6.969 0.006 . 671 464 84 TYR HE1 H 6.642 0.006 . 672 464 84 TYR HE2 H 6.642 0.006 . 673 464 84 TYR CA C 60.802 0.000 . 674 464 84 TYR CB C 35.801 0.000 . 675 465 85 GLU H H 8.134 0.002 . 676 465 85 GLU HA H 4.229 0.000 . 677 465 85 GLU HB2 H 2.222 0.008 . 678 465 85 GLU HB3 H 2.222 0.008 . 679 465 85 GLU HG2 H 2.382 0.002 . 680 465 85 GLU HG3 H 2.257 0.003 . 681 465 85 GLU CA C 59.864 0.000 . 682 465 85 GLU CB C 29.551 0.000 . 683 465 85 GLU CG C 36.114 0.000 . 684 466 86 ILE H H 7.981 0.003 . 685 466 86 ILE HA H 3.798 0.002 . 686 466 86 ILE HB H 1.966 0.002 . 687 466 86 ILE HG12 H 1.800 0.003 . 688 466 86 ILE HG13 H 1.214 0.001 . 689 466 86 ILE HG2 H 0.955 0.002 . 690 466 86 ILE HD1 H 0.865 0.002 . 691 466 86 ILE CA C 64.864 0.000 . 692 466 86 ILE CB C 38.926 0.000 . 693 466 86 ILE CG1 C 29.551 0.000 . 694 466 86 ILE CG2 C 17.364 0.000 . 695 466 86 ILE CD1 C 13.614 0.000 . 696 467 87 LEU H H 7.991 0.005 . 697 467 87 LEU HA H 4.306 0.002 . 698 467 87 LEU HB2 H 1.640 0.000 . 699 467 87 LEU HB3 H 1.540 0.000 . 700 467 87 LEU HG H 0.729 0.002 . 701 467 87 LEU HD1 H 0.321 0.002 . 702 467 87 LEU HD2 H 0.825 0.002 . 703 467 87 LEU CA C 55.177 0.000 . 704 467 87 LEU CB C 42.052 0.000 . 705 467 87 LEU CG C 27.051 0.000 . 706 467 87 LEU CD1 C 25.176 0.000 . 707 467 87 LEU CD2 C 22.051 0.000 . 708 468 88 GLY H H 7.854 0.006 . 709 468 88 GLY HA2 H 3.888 0.002 . 710 468 88 GLY HA3 H 3.974 0.003 . 711 468 88 GLY CA C 47.052 0.000 . 712 469 89 LEU H H 8.510 0.003 . 713 469 89 LEU HA H 4.891 0.004 . 714 469 89 LEU HB2 H 1.231 0.004 . 715 469 89 LEU HB3 H 0.800 0.002 . 716 469 89 LEU HG H 1.240 0.003 . 717 469 89 LEU HD1 H 0.322 0.001 . 718 469 89 LEU HD2 H 0.445 0.003 . 719 469 89 LEU CB C 44.239 0.000 . 720 469 89 LEU CG C 26.426 0.000 . 721 469 89 LEU CD1 C 25.489 0.000 . 722 469 89 LEU CD2 C 22.051 0.000 . 723 470 90 ASN HB2 H 3.485 0.012 . 724 470 90 ASN HB3 H 2.827 0.006 . 725 470 90 ASN CB C 38.614 0.000 . 726 471 91 ALA HA H 4.311 0.005 . 727 471 91 ALA HB H 1.577 0.003 . 728 471 91 ALA CA C 55.177 0.000 . 729 471 91 ALA CB C 18.926 0.000 . 730 472 92 ARG H H 7.695 0.009 . 731 472 92 ARG HA H 4.293 0.002 . 732 472 92 ARG HB2 H 2.199 0.006 . 733 472 92 ARG HB3 H 2.199 0.006 . 734 472 92 ARG HG2 H 1.703 0.009 . 735 472 92 ARG HG3 H 1.393 0.002 . 736 472 92 ARG HD2 H 3.163 0.001 . 737 472 92 ARG HD3 H 3.129 0.000 . 738 472 92 ARG CA C 56.114 0.000 . 739 472 92 ARG CB C 29.551 0.000 . 740 472 92 ARG CG C 27.989 0.000 . 741 472 92 ARG CD C 42.677 0.000 . 742 473 93 GLY HA2 H 3.303 0.000 . 743 473 93 GLY HA3 H 4.055 0.000 . 744 473 93 GLY CA C 46.427 0.000 . 745 474 94 GLN HA H 4.438 0.002 . 746 474 94 GLN HB2 H 2.014 0.001 . 747 474 94 GLN HB3 H 1.914 0.008 . 748 474 94 GLN HG2 H 2.286 0.003 . 749 474 94 GLN HG3 H 2.248 0.010 . 750 474 94 GLN CA C 53.614 0.000 . 751 474 94 GLN CB C 29.864 0.000 . 752 474 94 GLN CG C 33.614 0.000 . 753 475 95 SER HA H 4.559 0.002 . 754 475 95 SER HB2 H 3.839 0.001 . 755 475 95 SER HB3 H 3.808 0.001 . 756 475 95 SER CA C 59.239 0.000 . 757 475 95 SER CB C 63.614 0.000 . 758 476 96 ILE H H 8.394 0.005 . 759 476 96 ILE HA H 4.166 0.002 . 760 476 96 ILE HB H 1.892 0.001 . 761 476 96 ILE HG12 H 1.337 0.002 . 762 476 96 ILE HG13 H 1.051 0.002 . 763 476 96 ILE HG2 H 0.884 0.003 . 764 476 96 ILE HD1 H 0.788 0.002 . 765 476 96 ILE CA C 62.052 0.000 . 766 476 96 ILE CB C 38.926 0.000 . 767 476 96 ILE CG1 C 27.364 0.000 . 768 476 96 ILE CG2 C 18.301 0.000 . 769 476 96 ILE CD1 C 13.926 0.000 . 770 477 97 ARG H H 8.229 0.000 . 771 477 97 ARG HA H 4.363 0.002 . 772 477 97 ARG HB2 H 1.821 0.001 . 773 477 97 ARG HB3 H 1.711 0.002 . 774 477 97 ARG HG2 H 1.629 0.003 . 775 477 97 ARG HG3 H 1.555 0.001 . 776 477 97 ARG HD2 H 3.162 0.002 . 777 477 97 ARG HD3 H 3.162 0.002 . 778 477 97 ARG CA C 55.802 0.000 . 779 477 97 ARG CB C 30.801 0.000 . 780 477 97 ARG CG C 27.051 0.000 . 781 477 97 ARG CD C 43.614 0.000 . stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 386 6 PHE H H 7.809 0.001 . 2 386 6 PHE HB2 H 2.990 0.000 . 3 386 6 PHE HB3 H 2.937 0.000 . 4 386 6 PHE N N 126.320 0.000 . 5 390 10 GLN HG2 H 1.897 0.001 . 6 390 10 GLN HG3 H 1.897 0.001 . 7 390 10 GLN HE21 H 7.406 0.003 . 8 390 10 GLN HE22 H 6.750 0.000 . 9 390 10 GLN NE2 N 111.008 0.000 . 10 393 13 ASN HA H 4.493 0.005 . 11 393 13 ASN HB2 H 2.913 0.000 . 12 393 13 ASN HB3 H 2.724 0.000 . 13 394 14 VAL H H 8.027 0.003 . 14 394 14 VAL HA H 3.648 0.010 . 15 394 14 VAL HB H 2.189 0.001 . 16 394 14 VAL HG1 H 1.040 0.000 . 17 394 14 VAL HG2 H 0.740 0.000 . 18 394 14 VAL N N 121.007 0.000 . 19 395 15 ILE H H 8.580 0.003 . 20 395 15 ILE HA H 3.421 0.002 . 21 395 15 ILE HB H 1.998 0.005 . 22 395 15 ILE HG12 H 1.724 0.000 . 23 395 15 ILE HG2 H 0.743 0.000 . 24 395 15 ILE N N 118.820 0.000 . 25 396 16 LYS H H 8.166 0.004 . 26 396 16 LYS HA H 3.192 0.005 . 27 396 16 LYS HB2 H 1.734 0.002 . 28 396 16 LYS HB3 H 1.734 0.002 . 29 396 16 LYS HG2 H 1.114 0.000 . 30 396 16 LYS HD2 H 1.600 0.000 . 31 396 16 LYS N N 120.382 0.000 . 32 397 17 GLY H H 7.607 0.001 . 33 397 17 GLY HA2 H 3.674 0.005 . 34 397 17 GLY HA3 H 3.932 0.005 . 35 397 17 GLY N N 103.508 0.000 . 36 398 18 ILE H H 7.939 0.002 . 37 398 18 ILE HA H 3.768 0.006 . 38 398 18 ILE HB H 1.789 0.001 . 39 398 18 ILE N N 120.382 0.000 . 40 399 19 VAL H H 8.888 0.002 . 41 399 19 VAL HA H 3.167 0.005 . 42 399 19 VAL HB H 2.051 0.001 . 43 399 19 VAL HG1 H 0.754 0.004 . 44 399 19 VAL HG2 H 0.890 0.007 . 45 399 19 VAL N N 123.507 0.000 . 46 400 20 ASP H H 7.904 0.001 . 47 400 20 ASP HA H 4.338 0.001 . 48 400 20 ASP HB2 H 2.756 0.002 . 49 400 20 ASP HB3 H 2.655 0.003 . 50 400 20 ASP N N 117.882 0.000 . 51 401 21 GLN H H 7.467 0.003 . 52 401 21 GLN HA H 4.355 0.000 . 53 401 21 GLN HB2 H 2.108 0.005 . 54 401 21 GLN HB3 H 2.108 0.005 . 55 401 21 GLN HG2 H 2.493 0.003 . 56 401 21 GLN HE21 H 7.956 0.000 . 57 401 21 GLN HE22 H 6.797 0.001 . 58 401 21 GLN N N 115.695 0.000 . 59 401 21 GLN NE2 N 112.570 0.000 . 60 402 22 GLU H H 8.864 0.003 . 61 402 22 GLU HA H 4.656 0.005 . 62 402 22 GLU HB2 H 2.333 0.001 . 63 402 22 GLU HB3 H 1.717 0.001 . 64 402 22 GLU HG3 H 2.103 0.001 . 65 402 22 GLU N N 114.445 0.000 . 66 403 23 GLY H H 8.147 0.001 . 67 403 23 GLY HA2 H 4.119 0.002 . 68 403 23 GLY HA3 H 4.849 0.000 . 69 403 23 GLY N N 110.070 0.000 . 70 404 24 VAL H H 8.639 0.001 . 71 404 24 VAL HA H 3.543 0.005 . 72 404 24 VAL HB H 2.121 0.002 . 73 404 24 VAL HG1 H 1.174 0.000 . 74 404 24 VAL N N 117.257 0.000 . 75 405 25 ALA H H 9.014 0.002 . 76 405 25 ALA HA H 3.928 0.002 . 77 405 25 ALA HB H 1.475 0.002 . 78 405 25 ALA N N 122.882 0.000 . 79 406 26 THR H H 8.369 0.001 . 80 406 26 THR HA H 3.862 0.007 . 81 406 26 THR HB H 3.724 0.000 . 82 406 26 THR HG2 H 1.069 0.001 . 83 406 26 THR N N 114.758 0.000 . 84 407 27 ALA H H 7.605 0.001 . 85 407 27 ALA HA H 3.738 0.001 . 86 407 27 ALA HB H 1.408 0.002 . 87 407 27 ALA N N 123.820 0.000 . 88 408 28 TYR H H 8.998 0.001 . 89 408 28 TYR HA H 3.630 0.000 . 90 408 28 TYR HB2 H 3.262 0.004 . 91 408 28 TYR HB3 H 2.688 0.004 . 92 408 28 TYR N N 119.445 0.000 . 93 409 29 THR H H 8.208 0.002 . 94 409 29 THR HA H 3.580 0.003 . 95 409 29 THR HB H 4.227 0.009 . 96 409 29 THR HG2 H 1.252 0.000 . 97 409 29 THR N N 116.945 0.000 . 98 410 30 LEU H H 8.358 0.001 . 99 410 30 LEU HA H 4.048 0.003 . 100 410 30 LEU HB2 H 1.665 0.004 . 101 410 30 LEU HB3 H 1.240 0.001 . 102 410 30 LEU HD2 H 0.697 0.000 . 103 410 30 LEU N N 121.632 0.000 . 104 411 31 GLY H H 8.840 0.003 . 105 411 31 GLY HA2 H 3.320 0.002 . 106 411 31 GLY HA3 H 3.418 0.002 . 107 411 31 GLY N N 108.508 0.000 . 108 412 32 MET H H 8.615 0.002 . 109 412 32 MET HA H 3.877 0.005 . 110 412 32 MET HB2 H 2.032 0.000 . 111 412 32 MET HB3 H 1.634 0.000 . 112 412 32 MET N N 122.570 0.000 . 113 413 33 MET H H 7.615 0.001 . 114 413 33 MET HA H 4.045 0.002 . 115 413 33 MET HB2 H 2.105 0.081 . 116 413 33 MET HB3 H 1.867 0.238 . 117 413 33 MET HG2 H 2.682 0.000 . 118 413 33 MET HG3 H 2.345 0.000 . 119 413 33 MET N N 120.382 0.000 . 120 414 34 LEU H H 8.305 0.002 . 121 414 34 LEU HA H 3.874 0.000 . 122 414 34 LEU HB2 H 1.601 0.008 . 123 414 34 LEU HB3 H 1.386 0.000 . 124 414 34 LEU HD1 H 0.345 0.112 . 125 414 34 LEU HD2 H 0.340 0.101 . 126 414 34 LEU N N 117.257 0.000 . 127 415 35 SER H H 7.653 0.002 . 128 415 35 SER HA H 4.487 0.002 . 129 415 35 SER HB2 H 4.206 0.000 . 130 415 35 SER HB3 H 3.658 0.000 . 131 415 35 SER N N 108.820 0.000 . 132 416 36 GLY H H 7.555 0.004 . 133 416 36 GLY HA2 H 3.890 0.000 . 134 416 36 GLY HA3 H 3.890 0.000 . 135 416 36 GLY N N 111.008 0.000 . 136 417 37 GLN H H 9.189 0.003 . 137 417 37 GLN HA H 3.552 0.001 . 138 417 37 GLN HB2 H 2.456 0.000 . 139 417 37 GLN HB3 H 2.065 0.000 . 140 417 37 GLN HG2 H 2.301 0.000 . 141 417 37 GLN HG3 H 2.138 0.000 . 142 417 37 GLN HE21 H 7.555 0.002 . 143 417 37 GLN HE22 H 6.764 0.002 . 144 417 37 GLN N N 112.883 0.000 . 145 417 37 GLN NE2 N 112.258 0.000 . 146 418 38 ASN H H 7.231 0.002 . 147 418 38 ASN HA H 4.208 0.000 . 148 418 38 ASN HB2 H 3.024 0.002 . 149 418 38 ASN HB3 H 2.643 0.003 . 150 418 38 ASN HD21 H 7.976 0.004 . 151 418 38 ASN HD22 H 6.922 0.001 . 152 418 38 ASN N N 118.195 0.000 . 153 418 38 ASN ND2 N 112.570 0.000 . 154 419 39 TYR H H 7.905 0.003 . 155 419 39 TYR HA H 4.078 0.000 . 156 419 39 TYR HB2 H 3.191 0.000 . 157 419 39 TYR HB3 H 2.839 0.000 . 158 419 39 TYR N N 125.070 0.000 . 159 420 40 GLN HA H 3.435 0.000 . 160 420 40 GLN HB2 H 2.146 0.000 . 161 420 40 GLN HB3 H 2.093 0.000 . 162 420 40 GLN HG2 H 2.592 0.000 . 163 420 40 GLN HG3 H 2.511 0.000 . 164 420 40 GLN HE21 H 8.125 0.002 . 165 420 40 GLN HE22 H 6.939 0.003 . 166 420 40 GLN NE2 N 113.195 0.000 . 167 421 41 LEU H H 7.136 0.002 . 168 421 41 LEU HA H 4.042 0.001 . 169 421 41 LEU HB2 H 1.474 0.003 . 170 421 41 LEU HB3 H 1.474 0.003 . 171 421 41 LEU HG H 1.322 0.000 . 172 421 41 LEU HD1 H 0.913 0.000 . 173 421 41 LEU HD2 H 0.889 0.000 . 174 421 41 LEU N N 119.757 0.000 . 175 422 42 VAL H H 8.148 0.001 . 176 422 42 VAL HA H 3.119 0.000 . 177 422 42 VAL HB H 1.744 0.002 . 178 422 42 VAL HG1 H 0.564 0.000 . 179 422 42 VAL N N 117.257 0.000 . 180 423 43 SER H H 8.650 0.002 . 181 423 43 SER HA H 3.557 0.000 . 182 423 43 SER HB2 H 3.550 0.006 . 183 423 43 SER HB3 H 3.117 0.002 . 184 423 43 SER N N 114.445 0.000 . 185 424 44 GLY H H 7.201 0.001 . 186 424 44 GLY HA2 H 3.785 0.004 . 187 424 44 GLY HA3 H 3.941 0.002 . 188 424 44 GLY N N 109.445 0.000 . 189 425 45 ILE H H 7.502 0.002 . 190 425 45 ILE HA H 3.726 0.005 . 191 425 45 ILE HB H 1.756 0.000 . 192 425 45 ILE HG12 H 1.872 0.000 . 193 425 45 ILE HG2 H 1.015 0.000 . 194 425 45 ILE HD1 H 0.724 0.000 . 195 425 45 ILE N N 121.632 0.000 . 196 426 46 ILE H H 8.564 0.002 . 197 426 46 ILE HA H 3.731 0.001 . 198 426 46 ILE HB H 2.059 0.000 . 199 426 46 ILE HG12 H 1.511 0.000 . 200 426 46 ILE HG13 H 1.511 0.000 . 201 426 46 ILE HG2 H 1.010 0.000 . 202 426 46 ILE HD1 H 0.760 0.000 . 203 426 46 ILE N N 118.820 0.000 . 204 427 47 ARG H H 7.932 0.002 . 205 427 47 ARG HA H 3.919 0.005 . 206 427 47 ARG HB2 H 2.052 0.003 . 207 427 47 ARG HB3 H 1.816 0.001 . 208 427 47 ARG HG3 H 1.641 0.000 . 209 427 47 ARG HD2 H 3.229 0.000 . 210 427 47 ARG HD3 H 3.229 0.000 . 211 427 47 ARG N N 119.132 0.000 . 212 428 48 GLY H H 7.227 0.005 . 213 428 48 GLY HA2 H 3.596 0.000 . 214 428 48 GLY HA3 H 3.997 0.000 . 215 428 48 GLY N N 102.258 0.000 . 216 429 49 TYR H H 8.016 0.002 . 217 429 49 TYR HA H 4.927 0.005 . 218 429 49 TYR HB2 H 3.526 0.004 . 219 429 49 TYR HB3 H 2.599 0.000 . 220 429 49 TYR HD1 H 7.052 0.000 . 221 429 49 TYR HD2 H 7.052 0.000 . 222 429 49 TYR HE1 H 6.706 0.000 . 223 429 49 TYR HE2 H 6.706 0.000 . 224 429 49 TYR N N 118.195 0.000 . 225 430 50 LEU H H 7.179 0.002 . 226 430 50 LEU HA H 4.498 0.000 . 227 430 50 LEU HG H 2.278 0.000 . 228 430 50 LEU HD1 H 0.985 0.000 . 229 430 50 LEU HD2 H 1.089 0.000 . 230 430 50 LEU N N 120.695 0.000 . 231 431 51 PRO HA H 4.664 0.000 . 232 431 51 PRO HB2 H 2.197 0.000 . 233 431 51 PRO HB3 H 2.197 0.000 . 234 431 51 PRO HD3 H 3.592 0.006 . 235 432 52 GLY H H 7.548 0.000 . 236 432 52 GLY HA2 H 3.949 0.000 . 237 432 52 GLY HA3 H 4.446 0.000 . 238 432 52 GLY N N 108.195 0.000 . 239 433 53 GLN HA H 3.960 0.000 . 240 433 53 GLN HG2 H 2.437 0.001 . 241 433 53 GLN HG3 H 2.437 0.001 . 242 433 53 GLN HE21 H 7.479 0.002 . 243 433 53 GLN HE22 H 6.865 0.001 . 244 433 53 GLN NE2 N 112.570 0.000 . 245 434 54 ALA HA H 4.113 0.000 . 246 434 54 ALA HB H 1.435 0.000 . 247 435 55 VAL H H 7.378 0.001 . 248 435 55 VAL HA H 3.491 0.009 . 249 435 55 VAL HB H 2.126 0.007 . 250 435 55 VAL HG1 H 1.094 0.000 . 251 435 55 VAL HG2 H 0.880 0.000 . 252 435 55 VAL N N 116.945 0.000 . 253 436 56 VAL H H 7.583 0.001 . 254 436 56 VAL HA H 3.399 0.001 . 255 436 56 VAL HB H 2.197 0.003 . 256 436 56 VAL HG1 H 1.099 0.001 . 257 436 56 VAL HG2 H 0.947 0.004 . 258 436 56 VAL N N 118.820 0.000 . 259 437 57 THR H H 8.493 0.003 . 260 437 57 THR HA H 3.905 0.001 . 261 437 57 THR HB H 4.083 0.000 . 262 437 57 THR HG2 H 1.240 0.000 . 263 437 57 THR N N 113.195 0.000 . 264 438 58 ALA H H 7.519 0.001 . 265 438 58 ALA HA H 4.153 0.002 . 266 438 58 ALA HB H 1.527 0.000 . 267 438 58 ALA N N 123.820 0.000 . 268 439 59 LEU H H 8.762 0.003 . 269 439 59 LEU HA H 3.870 0.018 . 270 439 59 LEU HB2 H 1.969 0.005 . 271 439 59 LEU HB3 H 1.269 0.002 . 272 439 59 LEU HG H 0.597 0.000 . 273 439 59 LEU HD1 H 0.994 0.000 . 274 439 59 LEU HD2 H 0.432 0.000 . 275 439 59 LEU N N 118.820 0.000 . 276 440 60 GLN H H 8.402 0.001 . 277 440 60 GLN HA H 3.701 0.001 . 278 440 60 GLN HB2 H 2.397 0.109 . 279 440 60 GLN HB3 H 2.104 0.003 . 280 440 60 GLN HG2 H 2.499 0.002 . 281 440 60 GLN HG3 H 2.358 0.002 . 282 440 60 GLN HE21 H 8.042 0.002 . 283 440 60 GLN HE22 H 6.705 0.001 . 284 440 60 GLN N N 118.820 0.000 . 285 440 60 GLN NE2 N 114.758 0.000 . 286 441 61 GLN H H 7.722 0.001 . 287 441 61 GLN HA H 4.015 0.005 . 288 441 61 GLN HB2 H 2.117 0.002 . 289 441 61 GLN HB3 H 2.031 0.003 . 290 441 61 GLN HG2 H 2.536 0.003 . 291 441 61 GLN HG3 H 2.346 0.002 . 292 441 61 GLN HE21 H 7.367 0.001 . 293 441 61 GLN HE22 H 6.749 0.001 . 294 441 61 GLN N N 115.695 0.000 . 295 441 61 GLN NE2 N 111.320 0.000 . 296 442 62 ARG H H 6.900 0.000 . 297 442 62 ARG HA H 3.724 0.005 . 298 442 62 ARG HB2 H 1.709 0.002 . 299 442 62 ARG HB3 H 1.456 0.000 . 300 442 62 ARG HG2 H 1.606 0.000 . 301 442 62 ARG HG3 H 1.322 0.000 . 302 442 62 ARG HD2 H 3.085 0.000 . 303 442 62 ARG HD3 H 3.010 0.000 . 304 442 62 ARG N N 116.632 0.000 . 305 443 63 LEU H H 8.151 0.001 . 306 443 63 LEU HA H 3.760 0.000 . 307 443 63 LEU HB2 H 1.842 0.000 . 308 443 63 LEU HB3 H 1.256 0.000 . 309 443 63 LEU HG H 1.607 0.000 . 310 443 63 LEU HD2 H 0.951 0.000 . 311 443 63 LEU N N 119.132 0.000 . 312 444 64 ASP H H 8.864 0.001 . 313 444 64 ASP HA H 4.382 0.001 . 314 444 64 ASP HB2 H 2.722 0.001 . 315 444 64 ASP HB3 H 2.624 0.001 . 316 444 64 ASP N N 120.070 0.000 . 317 445 65 GLN H H 6.985 0.001 . 318 445 65 GLN HA H 3.958 0.243 . 319 445 65 GLN HB2 H 2.214 0.009 . 320 445 65 GLN HB3 H 2.062 0.002 . 321 445 65 GLN HG2 H 2.553 0.003 . 322 445 65 GLN HG3 H 2.431 0.003 . 323 445 65 GLN HE21 H 7.467 0.000 . 324 445 65 GLN HE22 H 6.785 0.003 . 325 445 65 GLN N N 114.445 0.000 . 326 445 65 GLN NE2 N 112.258 0.000 . 327 446 66 GLU H H 7.231 0.001 . 328 446 66 GLU HA H 4.670 0.001 . 329 446 66 GLU HB3 H 1.956 0.000 . 330 446 66 GLU N N 117.882 0.000 . 331 447 67 ILE H H 8.747 0.001 . 332 447 67 ILE HA H 3.954 0.000 . 333 447 67 ILE HB H 1.900 0.002 . 334 447 67 ILE HG12 H 1.474 0.000 . 335 447 67 ILE HG13 H 1.280 0.000 . 336 447 67 ILE HG2 H 0.986 0.000 . 337 447 67 ILE HD1 H 0.905 0.000 . 338 447 67 ILE N N 116.632 0.000 . 339 448 68 ASP H H 7.296 0.001 . 340 448 68 ASP HA H 4.638 0.000 . 341 448 68 ASP HB2 H 3.097 0.000 . 342 448 68 ASP HB3 H 2.987 0.000 . 343 448 68 ASP N N 115.383 0.000 . 344 449 69 ASP HA H 4.266 0.000 . 345 449 69 ASP HB2 H 2.710 0.000 . 346 449 69 ASP HB3 H 2.582 0.000 . 347 450 70 GLN H H 8.384 0.002 . 348 450 70 GLN HA H 3.956 0.002 . 349 450 70 GLN HB2 H 2.154 0.008 . 350 450 70 GLN HB3 H 2.010 0.003 . 351 450 70 GLN HG2 H 2.426 0.002 . 352 450 70 GLN HG3 H 2.366 0.002 . 353 450 70 GLN HE21 H 7.766 0.002 . 354 450 70 GLN HE22 H 6.825 0.002 . 355 450 70 GLN N N 122.570 0.000 . 356 450 70 GLN NE2 N 112.883 0.000 . 357 451 71 THR H H 8.594 0.002 . 358 451 71 THR HA H 4.049 0.000 . 359 451 71 THR HB H 4.184 0.001 . 360 451 71 THR HG2 H 1.378 0.000 . 361 451 71 THR N N 116.320 0.000 . 362 452 72 ARG H H 8.133 0.002 . 363 452 72 ARG HA H 3.653 0.002 . 364 452 72 ARG HB2 H 1.847 0.003 . 365 452 72 ARG HB3 H 1.752 0.000 . 366 452 72 ARG HG2 H 1.627 0.000 . 367 452 72 ARG HG3 H 1.565 0.000 . 368 452 72 ARG HD2 H 3.072 0.000 . 369 452 72 ARG HD3 H 3.072 0.000 . 370 452 72 ARG N N 124.132 0.000 . 371 453 73 ALA H H 7.900 0.003 . 372 453 73 ALA HA H 3.981 0.327 . 373 453 73 ALA HB H 1.401 0.002 . 374 453 73 ALA N N 118.820 0.000 . 375 454 74 GLU H H 7.659 0.003 . 376 454 74 GLU HA H 4.273 0.003 . 377 454 74 GLU HB2 H 2.251 0.002 . 378 454 74 GLU HB3 H 2.198 0.001 . 379 454 74 GLU HG2 H 2.536 0.000 . 380 454 74 GLU HG3 H 2.362 0.000 . 381 454 74 GLU N N 116.945 0.000 . 382 455 75 THR H H 7.902 0.001 . 383 455 75 THR HA H 4.398 0.003 . 384 455 75 THR HB H 3.963 0.000 . 385 455 75 THR HG2 H 1.151 0.000 . 386 455 75 THR N N 108.820 0.000 . 387 456 76 PHE H H 7.744 0.000 . 388 456 76 PHE HA H 3.764 0.002 . 389 456 76 PHE HB2 H 3.490 0.000 . 390 456 76 PHE HB3 H 2.591 0.000 . 391 456 76 PHE N N 124.757 0.000 . 392 457 77 ILE H H 8.420 0.002 . 393 457 77 ILE HA H 3.493 0.003 . 394 457 77 ILE HB H 1.929 0.000 . 395 457 77 ILE HG12 H 1.799 0.000 . 396 457 77 ILE HG13 H 1.297 0.000 . 397 457 77 ILE HG2 H 0.868 0.000 . 398 457 77 ILE HD1 H 1.079 0.000 . 399 457 77 ILE N N 116.007 0.000 . 400 458 78 GLN H H 7.859 0.001 . 401 458 78 GLN HA H 3.950 0.002 . 402 458 78 GLN HB2 H 1.971 0.004 . 403 458 78 GLN HB3 H 1.875 0.001 . 404 458 78 GLN HG2 H 2.242 0.005 . 405 458 78 GLN HG3 H 2.175 0.002 . 406 458 78 GLN HE21 H 7.216 0.001 . 407 458 78 GLN HE22 H 6.781 0.001 . 408 458 78 GLN N N 121.320 0.000 . 409 458 78 GLN NE2 N 111.008 0.000 . 410 459 79 HIS H H 8.362 0.001 . 411 459 79 HIS HA H 4.556 0.002 . 412 459 79 HIS HB2 H 2.824 0.000 . 413 459 79 HIS HB3 H 2.511 0.000 . 414 459 79 HIS HD2 H 6.753 0.000 . 415 459 79 HIS N N 119.757 0.000 . 416 460 80 LEU H H 8.650 0.002 . 417 460 80 LEU HA H 3.494 0.002 . 418 460 80 LEU HB2 H 1.653 0.002 . 419 460 80 LEU HB3 H 0.907 0.003 . 420 460 80 LEU HG H 0.580 0.000 . 421 460 80 LEU HD2 H 0.824 0.000 . 422 460 80 LEU N N 122.257 0.000 . 423 461 81 ASN H H 8.663 0.002 . 424 461 81 ASN HA H 4.209 0.001 . 425 461 81 ASN HB2 H 2.783 0.005 . 426 461 81 ASN HB3 H 2.710 0.003 . 427 461 81 ASN HD21 H 7.293 0.001 . 428 461 81 ASN HD22 H 6.592 0.001 . 429 461 81 ASN N N 116.007 0.000 . 430 461 81 ASN ND2 N 109.758 0.000 . 431 462 82 ALA H H 7.918 0.002 . 432 462 82 ALA HA H 4.227 0.004 . 433 462 82 ALA HB H 1.587 0.002 . 434 462 82 ALA N N 123.820 0.000 . 435 463 83 VAL H H 8.354 0.003 . 436 463 83 VAL HA H 3.634 0.006 . 437 463 83 VAL HB H 2.405 0.009 . 438 463 83 VAL HG1 H 1.105 0.000 . 439 463 83 VAL HG2 H 1.002 0.000 . 440 463 83 VAL N N 119.757 0.000 . 441 464 84 TYR H H 9.018 0.001 . 442 464 84 TYR HA H 4.121 0.004 . 443 464 84 TYR HB2 H 3.262 0.007 . 444 464 84 TYR HB3 H 3.140 0.004 . 445 464 84 TYR HD1 H 6.958 0.000 . 446 464 84 TYR HD2 H 6.958 0.000 . 447 464 84 TYR HE1 H 6.644 0.000 . 448 464 84 TYR HE2 H 6.644 0.000 . 449 464 84 TYR N N 121.007 0.000 . 450 465 85 GLU H H 8.131 0.001 . 451 465 85 GLU HA H 4.227 0.006 . 452 465 85 GLU HB2 H 2.230 0.000 . 453 465 85 GLU HB3 H 2.230 0.000 . 454 465 85 GLU HG2 H 2.371 0.000 . 455 465 85 GLU N N 119.132 0.000 . 456 466 86 ILE H H 7.974 0.002 . 457 466 86 ILE HA H 3.799 0.003 . 458 466 86 ILE HB H 1.962 0.002 . 459 466 86 ILE HG12 H 1.792 0.000 . 460 466 86 ILE HG13 H 1.211 0.000 . 461 466 86 ILE HG2 H 0.853 0.000 . 462 466 86 ILE N N 121.320 0.000 . 463 467 87 LEU H H 7.989 0.001 . 464 467 87 LEU HA H 4.300 0.000 . 465 467 87 LEU HB2 H 1.627 0.000 . 466 467 87 LEU HB3 H 1.540 0.004 . 467 467 87 LEU HG H 0.731 0.000 . 468 467 87 LEU HD1 H 0.322 0.000 . 469 467 87 LEU HD2 H 0.827 0.000 . 470 467 87 LEU N N 117.882 0.000 . 471 468 88 GLY H H 7.843 0.001 . 472 468 88 GLY HA2 H 3.873 0.004 . 473 468 88 GLY HA3 H 3.967 0.003 . 474 468 88 GLY N N 110.383 0.000 . 475 469 89 LEU H H 8.505 0.001 . 476 469 89 LEU HA H 4.886 0.000 . 477 469 89 LEU HB2 H 1.224 0.004 . 478 469 89 LEU HB3 H 0.784 0.006 . 479 469 89 LEU HD1 H 0.318 0.000 . 480 469 89 LEU HD2 H 0.444 0.000 . 481 469 89 LEU N N 119.757 0.000 . 482 470 90 ASN H H 8.623 0.003 . 483 470 90 ASN HB2 H 3.498 0.000 . 484 470 90 ASN HB3 H 2.824 0.000 . 485 470 90 ASN HD21 H 7.686 0.004 . 486 470 90 ASN HD22 H 7.097 0.001 . 487 470 90 ASN N N 118.820 0.000 . 488 470 90 ASN ND2 N 111.320 0.000 . 489 471 91 ALA HB H 1.585 0.000 . 490 472 92 ARG H H 7.690 0.001 . 491 472 92 ARG HA H 4.292 0.003 . 492 472 92 ARG HB2 H 2.210 0.000 . 493 472 92 ARG HB3 H 2.210 0.000 . 494 472 92 ARG HG2 H 1.675 0.000 . 495 472 92 ARG HG3 H 1.394 0.000 . 496 472 92 ARG HD2 H 3.154 0.000 . 497 472 92 ARG N N 116.945 0.000 . 498 473 93 GLY H H 8.743 0.002 . 499 473 93 GLY HA2 H 3.292 0.002 . 500 473 93 GLY HA3 H 4.050 0.000 . 501 473 93 GLY N N 109.445 0.000 . 502 474 94 GLN H H 7.772 0.002 . 503 474 94 GLN HB2 H 2.028 0.000 . 504 474 94 GLN HB3 H 1.913 0.000 . 505 474 94 GLN HG2 H 2.287 0.004 . 506 474 94 GLN HG3 H 2.226 0.002 . 507 474 94 GLN HE21 H 7.553 0.001 . 508 474 94 GLN HE22 H 6.842 0.000 . 509 474 94 GLN N N 118.507 0.000 . 510 474 94 GLN NE2 N 112.570 0.000 . 511 475 95 SER HA H 4.571 0.000 . 512 475 95 SER HB2 H 3.836 0.000 . 513 475 95 SER HB3 H 3.806 0.000 . 514 476 96 ILE H H 8.394 0.001 . 515 476 96 ILE HA H 4.167 0.002 . 516 476 96 ILE HB H 1.889 0.004 . 517 476 96 ILE HG12 H 1.329 0.000 . 518 476 96 ILE HG13 H 1.052 0.006 . 519 476 96 ILE HG2 H 0.887 0.007 . 520 476 96 ILE HD1 H 0.773 0.000 . 521 476 96 ILE N N 123.820 0.000 . 522 477 97 ARG H H 8.221 0.003 . 523 477 97 ARG HA H 4.365 0.000 . 524 477 97 ARG HB2 H 1.809 0.000 . 525 477 97 ARG HB3 H 1.707 0.000 . 526 477 97 ARG HG2 H 1.635 0.000 . 527 477 97 ARG N N 122.882 0.000 . 528 479 99 GLU H H 8.397 0.008 . 529 479 99 GLU HB3 H 1.857 0.000 . 530 479 99 GLU N N 121.632 0.000 . stop_ save_ save_assigned_chemical_shifts_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 383 3 HIS HB2 H 3.249 0.000 . 2 383 3 HIS HB3 H 3.043 0.000 . 3 383 3 HIS HD2 H 7.025 0.000 . 4 383 3 HIS CD2 C 119.991 0.000 . 5 386 6 PHE HA H 4.549 0.000 . 6 386 6 PHE HB2 H 2.954 0.003 . 7 386 6 PHE HB3 H 2.930 0.003 . 8 386 6 PHE HD1 H 7.059 0.000 . 9 386 6 PHE HD2 H 7.059 0.000 . 10 386 6 PHE HE1 H 7.002 0.004 . 11 386 6 PHE HE2 H 7.002 0.004 . 12 386 6 PHE HZ H 6.908 0.001 . 13 386 6 PHE CD1 C 132.491 0.000 . 14 386 6 PHE CE1 C 130.616 0.000 . 15 386 6 PHE CZ C 128.741 0.000 . 16 389 9 HIS HE1 H 7.711 0.000 . 17 389 9 HIS CE1 C 138.740 0.000 . 18 394 14 VAL HB H 2.169 0.015 . 19 394 14 VAL HG1 H 1.036 0.002 . 20 394 14 VAL HG2 H 0.750 0.004 . 21 395 15 ILE HB H 2.031 0.000 . 22 395 15 ILE HG2 H 0.732 0.003 . 23 396 16 LYS HA H 3.182 0.005 . 24 396 16 LYS HB2 H 1.730 0.006 . 25 396 16 LYS HB3 H 1.730 0.006 . 26 396 16 LYS HD2 H 1.589 0.009 . 27 396 16 LYS HD3 H 1.145 0.002 . 28 396 16 LYS HE2 H 2.925 0.000 . 29 396 16 LYS HE3 H 2.886 0.000 . 30 397 17 GLY HA2 H 3.684 0.000 . 31 397 17 GLY HA3 H 3.910 0.000 . 32 398 18 ILE HD1 H 0.610 0.000 . 33 399 19 VAL HG1 H 0.767 0.001 . 34 399 19 VAL HG2 H 0.908 0.000 . 35 408 28 TYR HB2 H 3.219 0.000 . 36 408 28 TYR HB3 H 2.688 0.000 . 37 408 28 TYR HD1 H 6.840 0.000 . 38 408 28 TYR HD2 H 6.840 0.000 . 39 408 28 TYR CD1 C 129.366 0.000 . 40 414 34 LEU HD1 H 0.230 0.004 . 41 414 34 LEU HD2 H 0.451 0.000 . 42 419 39 TYR H H 7.889 0.000 . 43 419 39 TYR HB2 H 3.146 0.002 . 44 419 39 TYR HB3 H 2.835 0.000 . 45 419 39 TYR HD1 H 7.062 0.004 . 46 419 39 TYR HD2 H 7.062 0.004 . 47 419 39 TYR HE1 H 6.747 0.002 . 48 419 39 TYR HE2 H 6.747 0.002 . 49 419 39 TYR CD1 C 132.491 0.000 . 50 419 39 TYR CE1 C 118.116 0.000 . 51 423 43 SER HB2 H 3.559 0.000 . 52 425 45 ILE HG2 H 0.988 0.003 . 53 426 46 ILE HA H 3.715 0.000 . 54 429 49 TYR H H 8.019 0.000 . 55 429 49 TYR HA H 4.914 0.001 . 56 429 49 TYR HB2 H 3.512 0.002 . 57 429 49 TYR HB3 H 2.588 0.004 . 58 429 49 TYR HD1 H 7.050 0.002 . 59 429 49 TYR HD2 H 7.050 0.002 . 60 429 49 TYR HE1 H 6.704 0.002 . 61 429 49 TYR HE2 H 6.704 0.002 . 62 429 49 TYR CD1 C 132.491 0.000 . 63 429 49 TYR CE1 C 118.116 0.000 . 64 431 51 PRO HG2 H 2.154 0.000 . 65 431 51 PRO HG3 H 1.958 0.000 . 66 431 51 PRO HD2 H 3.931 0.000 . 67 431 51 PRO HD3 H 3.511 0.000 . 68 435 55 VAL HG1 H 1.084 0.000 . 69 435 55 VAL HG2 H 0.866 0.000 . 70 439 59 LEU HG H 0.569 0.000 . 71 439 59 LEU HD1 H 0.939 0.000 . 72 439 59 LEU HD2 H 0.412 0.005 . 73 442 62 ARG HG2 H 1.524 0.000 . 74 442 62 ARG HD3 H 2.905 0.000 . 75 443 63 LEU HD2 H 0.870 0.000 . 76 447 67 ILE HD1 H 0.818 0.000 . 77 453 73 ALA HA H 4.328 0.000 . 78 453 73 ALA HB H 1.400 0.005 . 79 456 76 PHE H H 7.747 0.000 . 80 456 76 PHE HA H 3.744 0.000 . 81 456 76 PHE HB2 H 3.497 0.000 . 82 456 76 PHE HB3 H 2.595 0.000 . 83 456 76 PHE HD1 H 6.665 0.000 . 84 456 76 PHE HD2 H 6.665 0.000 . 85 456 76 PHE HE1 H 6.830 0.003 . 86 456 76 PHE HE2 H 6.830 0.003 . 87 456 76 PHE CD1 C 132.491 0.000 . 88 456 76 PHE CE1 C 129.366 0.000 . 89 457 77 ILE H H 8.412 0.000 . 90 457 77 ILE HG12 H 1.806 0.000 . 91 457 77 ILE HG13 H 1.281 0.000 . 92 457 77 ILE HD1 H 1.069 0.000 . 93 459 79 HIS HE1 H 7.657 0.000 . 94 459 79 HIS CE1 C 138.740 0.000 . 95 460 80 LEU HD1 H 0.552 0.000 . 96 464 84 TYR H H 9.016 0.000 . 97 464 84 TYR HA H 4.131 0.004 . 98 464 84 TYR HB2 H 3.255 0.011 . 99 464 84 TYR HB3 H 3.122 0.003 . 100 464 84 TYR HD1 H 6.967 0.003 . 101 464 84 TYR HD2 H 6.967 0.003 . 102 464 84 TYR HE1 H 6.642 0.004 . 103 464 84 TYR HE2 H 6.642 0.004 . 104 464 84 TYR CD1 C 131.866 0.000 . 105 464 84 TYR CE1 C 116.866 0.000 . 106 469 89 LEU HD1 H 0.307 0.006 . 107 469 89 LEU HD2 H 0.463 0.002 . 108 471 91 ALA HA H 4.300 0.001 . 109 471 91 ALA HB H 1.569 0.002 . stop_ save_ save_assigned_chemical_shifts_4 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 381 1 ARG HA H 4.424 0.002 . 2 381 1 ARG HB2 H 1.837 0.003 . 3 381 1 ARG HB3 H 1.772 0.001 . 4 381 1 ARG HG2 H 1.620 0.004 . 5 381 1 ARG HG3 H 1.620 0.004 . 6 381 1 ARG HD2 H 3.193 0.004 . 7 381 1 ARG HD3 H 3.193 0.004 . 8 381 1 ARG CA C 55.863 0.000 . 9 381 1 ARG CB C 30.707 0.000 . 10 381 1 ARG CG C 27.425 0.000 . 11 381 1 ARG CD C 43.285 0.000 . 12 382 2 THR HA H 4.346 0.001 . 13 382 2 THR HB H 4.218 0.056 . 14 382 2 THR HG2 H 1.145 0.002 . 15 382 2 THR CA C 61.332 0.000 . 16 382 2 THR CB C 70.082 0.000 . 17 383 3 HIS HA H 4.652 0.001 . 18 383 3 HIS HB2 H 3.141 0.001 . 19 383 3 HIS HB3 H 3.061 0.002 . 20 383 3 HIS HD2 H 6.970 0.003 . 21 383 3 HIS HE1 H 7.727 0.000 . 22 383 3 HIS CA C 56.410 0.000 . 23 383 3 HIS CB C 31.801 0.000 . 24 384 4 GLY HA2 H 3.986 0.002 . 25 384 4 GLY HA3 H 3.986 0.002 . 26 384 4 GLY CA C 44.926 0.000 . 27 385 5 THR HA H 4.418 0.003 . 28 385 5 THR HB H 4.239 0.000 . 29 385 5 THR HG2 H 1.149 0.000 . 30 385 5 THR CA C 61.332 0.000 . 31 385 5 THR CB C 70.082 0.000 . 32 386 6 PHE HA H 4.498 0.076 . 33 386 6 PHE HB2 H 2.974 0.002 . 34 386 6 PHE HB3 H 2.933 0.001 . 35 386 6 PHE HD1 H 7.055 0.006 . 36 386 6 PHE HD2 H 7.055 0.006 . 37 386 6 PHE HE1 H 7.003 0.002 . 38 386 6 PHE HE2 H 7.003 0.002 . 39 386 6 PHE HZ H 6.904 0.005 . 40 386 6 PHE CA C 57.321 2.038 . 41 386 6 PHE CB C 40.551 0.000 . 42 387 7 PRO HA H 4.384 0.002 . 43 387 7 PRO HB2 H 1.974 0.004 . 44 387 7 PRO HB3 H 1.365 0.001 . 45 387 7 PRO HG2 H 1.698 0.006 . 46 387 7 PRO HG3 H 1.467 0.002 . 47 387 7 PRO HD2 H 3.454 0.006 . 48 387 7 PRO CA C 61.879 0.000 . 49 387 7 PRO CB C 31.254 0.000 . 50 387 7 PRO CG C 27.425 0.000 . 51 387 7 PRO CD C 49.847 0.000 . 52 388 8 MET HA H 4.255 0.004 . 53 388 8 MET HB2 H 2.180 0.001 . 54 388 8 MET HB3 H 2.077 0.001 . 55 388 8 MET HG2 H 2.772 0.006 . 56 388 8 MET HG3 H 2.712 0.001 . 57 388 8 MET HE H 2.129 0.001 . 58 388 8 MET CA C 57.504 0.000 . 59 388 8 MET CB C 31.254 0.000 . 60 388 8 MET CG C 32.347 0.000 . 61 388 8 MET CE C 17.582 0.000 . 62 389 9 HIS HA H 4.503 0.002 . 63 389 9 HIS HB2 H 2.917 0.002 . 64 389 9 HIS HB3 H 2.917 0.002 . 65 389 9 HIS HD2 H 6.765 0.000 . 66 389 9 HIS HE1 H 7.605 0.005 . 67 389 9 HIS CA C 56.410 0.000 . 68 389 9 HIS CB C 31.254 0.000 . 69 391 11 LEU HA H 4.307 0.003 . 70 391 11 LEU HB2 H 1.559 0.002 . 71 391 11 LEU HB3 H 1.483 0.002 . 72 391 11 LEU HG H 1.555 0.001 . 73 391 11 LEU HD1 H 0.896 0.007 . 74 391 11 LEU HD2 H 0.826 0.003 . 75 391 11 LEU CA C 54.769 0.000 . 76 391 11 LEU CB C 42.191 0.000 . 77 391 11 LEU CG C 27.425 0.000 . 78 391 11 LEU CD1 C 24.691 0.000 . 79 391 11 LEU CD2 C 23.597 0.000 . 80 392 12 GLY HA2 H 3.687 0.005 . 81 392 12 GLY HA3 H 4.057 0.002 . 82 392 12 GLY CA C 47.989 0.000 . 83 393 13 ASN HA H 4.494 0.007 . 84 393 13 ASN HB2 H 2.926 0.002 . 85 393 13 ASN HB3 H 2.712 0.005 . 86 393 13 ASN CA C 55.802 0.000 . 87 393 13 ASN CB C 38.301 0.000 . 88 394 14 VAL HA H 3.635 0.004 . 89 394 14 VAL HB H 2.189 0.007 . 90 394 14 VAL HG1 H 0.929 0.151 . 91 394 14 VAL HG2 H 0.748 0.002 . 92 394 14 VAL CA C 66.427 0.000 . 93 394 14 VAL CB C 31.739 0.000 . 94 394 14 VAL CG1 C 22.511 1.232 . 95 394 14 VAL CG2 C 21.114 0.000 . 96 395 15 ILE HA H 3.419 0.005 . 97 395 15 ILE HB H 1.996 0.008 . 98 395 15 ILE HG12 H 1.724 0.012 . 99 395 15 ILE HG13 H 0.987 0.001 . 100 395 15 ILE HG2 H 0.769 0.003 . 101 395 15 ILE HD1 H 0.741 0.003 . 102 395 15 ILE CA C 66.427 0.000 . 103 395 15 ILE CB C 37.364 0.000 . 104 395 15 ILE CG1 C 29.864 0.000 . 105 395 15 ILE CG2 C 17.989 0.000 . 106 395 15 ILE CD1 C 13.926 0.000 . 107 396 16 LYS HA H 3.180 0.009 . 108 396 16 LYS HB2 H 1.708 0.007 . 109 396 16 LYS HB3 H 1.708 0.007 . 110 396 16 LYS HG2 H 1.109 0.005 . 111 396 16 LYS HD2 H 1.590 0.003 . 112 396 16 LYS HD3 H 1.125 0.002 . 113 396 16 LYS HE2 H 2.913 0.001 . 114 396 16 LYS HE3 H 2.860 0.001 . 115 396 16 LYS CA C 59.864 0.000 . 116 396 16 LYS CB C 31.739 0.000 . 117 396 16 LYS CG C 24.239 0.000 . 118 396 16 LYS CD C 28.301 0.000 . 119 396 16 LYS CE C 42.191 0.000 . 120 397 17 GLY HA2 H 3.679 0.003 . 121 397 17 GLY HA3 H 3.927 0.009 . 122 397 17 GLY CA C 47.052 0.000 . 123 398 18 ILE HA H 3.757 0.005 . 124 398 18 ILE HB H 1.778 0.012 . 125 398 18 ILE HG2 H 0.776 0.008 . 126 398 18 ILE HD1 H 0.628 0.007 . 127 398 18 ILE CA C 64.552 0.000 . 128 398 18 ILE CB C 37.676 0.000 . 129 398 18 ILE CG2 C 18.614 0.000 . 130 398 18 ILE CD1 C 13.301 0.000 . 131 399 19 VAL HA H 3.154 0.004 . 132 399 19 VAL HB H 2.175 0.349 . 133 399 19 VAL HG1 H 0.773 0.029 . 134 399 19 VAL HG2 H 0.886 0.042 . 135 399 19 VAL CA C 67.364 0.000 . 136 399 19 VAL CB C 31.114 0.000 . 137 399 19 VAL CG1 C 23.926 0.000 . 138 399 19 VAL CG2 C 22.051 0.000 . 139 400 20 ASP HA H 4.334 0.006 . 140 400 20 ASP HB2 H 2.750 0.004 . 141 400 20 ASP HB3 H 2.649 0.006 . 142 400 20 ASP CA C 57.364 0.000 . 143 400 20 ASP CB C 40.802 0.000 . 144 401 21 GLN HA H 4.360 0.005 . 145 401 21 GLN HB2 H 2.100 0.008 . 146 401 21 GLN HB3 H 2.100 0.008 . 147 401 21 GLN HG2 H 2.526 0.003 . 148 401 21 GLN HG3 H 2.483 0.004 . 149 401 21 GLN CA C 57.677 0.000 . 150 401 21 GLN CB C 31.426 0.000 . 151 401 21 GLN CG C 34.239 0.000 . 152 402 22 GLU HA H 4.654 0.002 . 153 402 22 GLU HB2 H 2.330 0.010 . 154 402 22 GLU HB3 H 1.712 0.012 . 155 402 22 GLU HG2 H 2.294 0.007 . 156 402 22 GLU HG3 H 2.127 0.012 . 157 402 22 GLU CA C 55.489 0.000 . 158 402 22 GLU CB C 32.676 0.000 . 159 402 22 GLU CG C 35.801 0.000 . 160 403 23 GLY HA2 H 4.119 0.006 . 161 403 23 GLY HA3 H 4.861 0.001 . 162 403 23 GLY CA C 43.867 0.046 . 163 404 24 VAL HA H 3.547 0.005 . 164 404 24 VAL HB H 2.117 0.007 . 165 404 24 VAL HG1 H 1.180 0.002 . 166 404 24 VAL HG2 H 1.004 0.000 . 167 404 24 VAL CA C 66.739 0.000 . 168 404 24 VAL CB C 31.739 0.000 . 169 404 24 VAL CG1 C 23.926 0.000 . 170 404 24 VAL CG2 C 22.504 0.000 . 171 405 25 ALA HA H 3.921 0.002 . 172 405 25 ALA HB H 1.470 0.001 . 173 405 25 ALA CA C 56.427 0.000 . 174 405 25 ALA CB C 17.989 0.000 . 175 406 26 THR HA H 3.860 0.004 . 176 406 26 THR HB H 3.721 0.005 . 177 406 26 THR HG2 H 1.069 0.002 . 178 406 26 THR CA C 66.739 0.000 . 179 406 26 THR CB C 68.302 0.000 . 180 406 26 THR CG2 C 22.051 0.000 . 181 407 27 ALA HA H 3.739 0.001 . 182 407 27 ALA HB H 1.407 0.002 . 183 407 27 ALA CA C 55.802 0.000 . 184 407 27 ALA CB C 20.489 0.000 . 185 408 28 TYR HA H 3.629 0.003 . 186 408 28 TYR HB2 H 3.256 0.004 . 187 408 28 TYR HB3 H 2.687 0.004 . 188 408 28 TYR HD1 H 6.819 0.010 . 189 408 28 TYR HD2 H 6.819 0.010 . 190 408 28 TYR HE1 H 6.676 0.005 . 191 408 28 TYR HE2 H 6.676 0.005 . 192 408 28 TYR CA C 62.052 0.000 . 193 408 28 TYR CB C 37.989 0.000 . 194 409 29 THR HA H 3.571 0.001 . 195 409 29 THR HB H 4.223 0.004 . 196 409 29 THR HG2 H 1.243 0.005 . 197 409 29 THR CA C 67.052 0.000 . 198 409 29 THR CB C 68.614 0.000 . 199 409 29 THR CG2 C 21.739 0.000 . 200 410 30 LEU HA H 4.044 0.003 . 201 410 30 LEU HB2 H 1.672 0.005 . 202 410 30 LEU HB3 H 1.230 0.010 . 203 410 30 LEU HG H 1.656 0.005 . 204 410 30 LEU HD1 H 0.712 0.002 . 205 410 30 LEU HD2 H 0.692 0.002 . 206 410 30 LEU CA C 57.677 0.000 . 207 410 30 LEU CB C 41.427 0.000 . 208 410 30 LEU CG C 27.676 0.000 . 209 410 30 LEU CD1 C 25.176 0.000 . 210 410 30 LEU CD2 C 23.926 0.000 . 211 411 31 GLY HA2 H 3.303 0.005 . 212 411 31 GLY HA3 H 3.407 0.002 . 213 411 31 GLY CA C 47.364 0.000 . 214 412 32 MET HA H 3.868 0.004 . 215 412 32 MET HB2 H 2.062 0.011 . 216 412 32 MET HB3 H 1.624 0.014 . 217 412 32 MET HE H 2.068 0.002 . 218 412 32 MET CA C 57.989 0.000 . 219 412 32 MET CE C 17.989 0.000 . 220 413 33 MET HA H 4.034 0.004 . 221 413 33 MET HB2 H 2.166 0.003 . 222 413 33 MET HB3 H 2.129 0.006 . 223 413 33 MET HG2 H 2.685 0.003 . 224 413 33 MET HG3 H 2.332 0.005 . 225 413 33 MET HE H 1.933 0.004 . 226 413 33 MET CA C 59.552 0.000 . 227 413 33 MET CB C 32.676 0.000 . 228 413 33 MET CG C 31.739 0.000 . 229 413 33 MET CE C 17.051 0.000 . 230 414 34 LEU HA H 3.861 0.006 . 231 414 34 LEU HB3 H 1.371 0.005 . 232 414 34 LEU HG H 1.600 0.007 . 233 414 34 LEU HD1 H 0.225 0.002 . 234 414 34 LEU HD2 H 0.437 0.002 . 235 414 34 LEU CA C 57.052 0.000 . 236 414 34 LEU CB C 42.364 0.000 . 237 414 34 LEU CG C 26.426 0.000 . 238 414 34 LEU CD1 C 25.176 0.000 . 239 414 34 LEU CD2 C 22.364 0.000 . 240 415 35 SER HA H 4.477 0.003 . 241 415 35 SER HB2 H 4.210 0.004 . 242 415 35 SER HB3 H 3.655 0.003 . 243 415 35 SER CA C 58.614 0.000 . 244 415 35 SER CB C 65.802 0.000 . 245 416 36 GLY HA2 H 3.892 0.005 . 246 416 36 GLY HA3 H 3.892 0.005 . 247 416 36 GLY CA C 47.364 0.000 . 248 417 37 GLN HA H 3.536 0.004 . 249 417 37 GLN HB2 H 2.462 0.011 . 250 417 37 GLN HB3 H 2.127 0.040 . 251 417 37 GLN HG2 H 2.297 0.005 . 252 417 37 GLN HG3 H 2.155 0.002 . 253 417 37 GLN CA C 55.802 0.000 . 254 417 37 GLN CB C 24.551 0.000 . 255 417 37 GLN CG C 32.989 0.000 . 256 418 38 ASN HA H 4.739 0.007 . 257 418 38 ASN HB2 H 3.022 0.002 . 258 418 38 ASN HB3 H 2.633 0.005 . 259 418 38 ASN CA C 50.941 0.000 . 260 418 38 ASN CB C 36.720 0.000 . 261 419 39 TYR HA H 4.079 0.005 . 262 419 39 TYR HB2 H 3.181 0.003 . 263 419 39 TYR HB3 H 2.828 0.005 . 264 419 39 TYR HD1 H 6.755 0.000 . 265 419 39 TYR HD2 H 6.755 0.000 . 266 419 39 TYR HE1 H 6.755 0.000 . 267 419 39 TYR HE2 H 6.755 0.000 . 268 419 39 TYR CA C 62.364 0.000 . 269 419 39 TYR CB C 40.177 0.000 . 270 420 40 GLN HA H 3.434 0.004 . 271 420 40 GLN HB2 H 2.147 0.003 . 272 420 40 GLN HB3 H 2.092 0.004 . 273 420 40 GLN HG2 H 2.585 0.002 . 274 420 40 GLN HG3 H 2.501 0.003 . 275 420 40 GLN CA C 60.177 0.000 . 276 420 40 GLN CB C 27.989 0.000 . 277 420 40 GLN CG C 33.926 0.000 . 278 421 41 LEU HA H 4.036 0.004 . 279 421 41 LEU HB2 H 1.460 0.004 . 280 421 41 LEU HB3 H 1.460 0.004 . 281 421 41 LEU HG H 1.311 0.008 . 282 421 41 LEU HD1 H 0.886 0.002 . 283 421 41 LEU HD2 H 0.904 0.001 . 284 421 41 LEU CA C 57.364 0.000 . 285 421 41 LEU CB C 43.302 0.000 . 286 421 41 LEU CG C 27.051 0.000 . 287 421 41 LEU CD1 C 26.879 0.000 . 288 421 41 LEU CD2 C 22.989 0.000 . 289 422 42 VAL HA H 3.117 0.002 . 290 422 42 VAL HB H 1.752 0.005 . 291 422 42 VAL HG1 H 0.584 0.004 . 292 422 42 VAL CA C 67.364 0.000 . 293 422 42 VAL CB C 31.739 0.000 . 294 422 42 VAL CG1 C 22.364 0.000 . 295 423 43 SER HA H 3.554 0.005 . 296 423 43 SER HB2 H 3.542 0.003 . 297 423 43 SER HB3 H 3.119 0.002 . 298 423 43 SER CA C 61.332 0.000 . 299 423 43 SER CB C 62.052 0.000 . 300 424 44 GLY HA2 H 3.773 0.006 . 301 424 44 GLY HA3 H 3.921 0.003 . 302 424 44 GLY CA C 47.052 0.000 . 303 425 45 ILE HA H 3.719 0.006 . 304 425 45 ILE HB H 1.762 0.002 . 305 425 45 ILE HG12 H 1.862 0.000 . 306 425 45 ILE HG13 H 1.019 0.003 . 307 425 45 ILE HG2 H 1.004 0.002 . 308 425 45 ILE HD1 H 0.727 0.006 . 309 425 45 ILE CA C 64.552 0.000 . 310 425 45 ILE CB C 39.239 0.000 . 311 425 45 ILE CG1 C 28.614 0.000 . 312 425 45 ILE CG2 C 18.614 0.000 . 313 425 45 ILE CD1 C 13.926 0.000 . 314 426 46 ILE HA H 3.731 0.003 . 315 426 46 ILE HB H 2.059 0.004 . 316 426 46 ILE HG12 H 1.502 0.004 . 317 426 46 ILE HG13 H 1.502 0.004 . 318 426 46 ILE HG2 H 0.996 0.004 . 319 426 46 ILE HD1 H 0.787 0.006 . 320 426 46 ILE CA C 63.302 0.000 . 321 426 46 ILE CB C 36.739 0.000 . 322 426 46 ILE CG1 C 30.176 0.000 . 323 426 46 ILE CG2 C 18.926 0.000 . 324 426 46 ILE CD1 C 12.051 0.000 . 325 427 47 ARG HA H 3.921 0.003 . 326 427 47 ARG HB2 H 2.043 0.003 . 327 427 47 ARG HB3 H 1.824 0.005 . 328 427 47 ARG HG2 H 1.807 0.001 . 329 427 47 ARG HG3 H 1.634 0.002 . 330 427 47 ARG HD2 H 3.219 0.004 . 331 427 47 ARG HD3 H 3.219 0.004 . 332 427 47 ARG CA C 59.864 0.000 . 333 427 47 ARG CB C 30.176 0.000 . 334 427 47 ARG CG C 28.301 0.000 . 335 427 47 ARG CD C 43.614 0.000 . 336 428 48 GLY HA2 H 3.593 0.005 . 337 428 48 GLY HA3 H 3.991 0.003 . 338 428 48 GLY CA C 45.802 0.000 . 339 429 49 TYR HA H 4.930 0.005 . 340 429 49 TYR HB2 H 3.516 0.005 . 341 429 49 TYR HB3 H 2.604 0.005 . 342 429 49 TYR HD1 H 7.039 0.004 . 343 429 49 TYR HD2 H 7.039 0.004 . 344 429 49 TYR HE1 H 6.698 0.006 . 345 429 49 TYR HE2 H 6.698 0.006 . 346 429 49 TYR CA C 56.427 0.000 . 347 429 49 TYR CB C 39.864 0.000 . 348 430 50 LEU HA H 4.489 0.005 . 349 430 50 LEU HB2 H 1.932 0.004 . 350 430 50 LEU HB3 H 1.932 0.004 . 351 430 50 LEU HG H 2.267 0.021 . 352 430 50 LEU HD1 H 0.977 0.007 . 353 430 50 LEU HD2 H 1.092 0.007 . 354 430 50 LEU CA C 53.676 0.000 . 355 430 50 LEU CB C 40.802 0.000 . 356 430 50 LEU CG C 26.426 0.000 . 357 430 50 LEU CD1 C 23.926 0.000 . 358 430 50 LEU CD2 C 22.989 0.000 . 359 431 51 PRO HA H 4.663 0.001 . 360 431 51 PRO HB2 H 2.195 0.006 . 361 431 51 PRO HB3 H 2.195 0.006 . 362 431 51 PRO HD2 H 3.934 0.005 . 363 431 51 PRO HD3 H 3.571 0.002 . 364 431 51 PRO CA C 64.066 0.000 . 365 431 51 PRO CB C 30.160 0.000 . 366 431 51 PRO CD C 51.427 0.000 . 367 432 52 GLY HA2 H 3.932 0.006 . 368 432 52 GLY HA3 H 4.440 0.005 . 369 432 52 GLY CA C 44.926 0.000 . 370 434 54 ALA HA H 4.124 0.003 . 371 434 54 ALA HB H 1.436 0.002 . 372 434 54 ALA CA C 55.177 0.000 . 373 434 54 ALA CB C 18.301 0.000 . 374 435 55 VAL HA H 3.491 0.002 . 375 435 55 VAL HB H 2.130 0.004 . 376 435 55 VAL HG1 H 1.096 0.005 . 377 435 55 VAL HG2 H 0.883 0.005 . 378 435 55 VAL CA C 65.489 0.000 . 379 435 55 VAL CB C 31.114 0.000 . 380 435 55 VAL CG1 C 23.301 0.000 . 381 435 55 VAL CG2 C 23.301 0.000 . 382 436 56 VAL HA H 3.394 0.003 . 383 436 56 VAL HB H 2.197 0.005 . 384 436 56 VAL HG1 H 1.083 0.000 . 385 436 56 VAL HG2 H 0.945 0.002 . 386 436 56 VAL CA C 67.052 0.000 . 387 436 56 VAL CB C 32.051 0.000 . 388 436 56 VAL CG2 C 21.426 0.000 . 389 437 57 THR HA H 3.898 0.002 . 390 437 57 THR HB H 4.078 0.003 . 391 437 57 THR HG2 H 1.235 0.002 . 392 437 57 THR CA C 66.114 0.000 . 393 437 57 THR CB C 69.239 0.000 . 394 437 57 THR CG2 C 21.739 0.000 . 395 438 58 ALA HA H 4.155 0.003 . 396 438 58 ALA HB H 1.531 0.001 . 397 438 58 ALA CA C 55.177 0.000 . 398 438 58 ALA CB C 19.239 0.000 . 399 439 59 LEU HA H 3.856 0.005 . 400 439 59 LEU HB2 H 1.963 0.002 . 401 439 59 LEU HB3 H 1.282 0.006 . 402 439 59 LEU HG H 0.604 0.003 . 403 439 59 LEU HD2 H 0.430 0.004 . 404 439 59 LEU CA C 57.989 0.000 . 405 439 59 LEU CB C 42.677 0.000 . 406 439 59 LEU CG C 26.426 0.000 . 407 439 59 LEU CD2 C 22.676 0.000 . 408 440 60 GLN HA H 3.700 0.004 . 409 440 60 GLN HB2 H 2.274 0.002 . 410 440 60 GLN HB3 H 2.098 0.005 . 411 440 60 GLN HG2 H 2.491 0.003 . 412 440 60 GLN HG3 H 2.347 0.001 . 413 440 60 GLN CA C 58.927 0.000 . 414 440 60 GLN CB C 28.301 0.000 . 415 440 60 GLN CG C 33.614 0.000 . 416 441 61 GLN HA H 4.009 0.004 . 417 441 61 GLN HB2 H 2.120 0.002 . 418 441 61 GLN HB3 H 2.030 0.005 . 419 441 61 GLN HG2 H 2.535 0.002 . 420 441 61 GLN HG3 H 2.339 0.004 . 421 441 61 GLN CA C 58.927 0.000 . 422 441 61 GLN CB C 28.301 0.000 . 423 441 61 GLN CG C 33.926 0.000 . 424 442 62 ARG HA H 3.713 0.006 . 425 442 62 ARG HB2 H 1.709 0.001 . 426 442 62 ARG HB3 H 1.448 0.003 . 427 442 62 ARG HG2 H 1.597 0.004 . 428 442 62 ARG HG3 H 1.313 0.006 . 429 442 62 ARG HD2 H 3.083 0.003 . 430 442 62 ARG HD3 H 3.004 0.003 . 431 442 62 ARG CA C 58.927 0.000 . 432 442 62 ARG CB C 29.239 0.000 . 433 442 62 ARG CG C 26.739 0.000 . 434 442 62 ARG CD C 43.302 0.000 . 435 443 63 LEU HA H 3.756 0.004 . 436 443 63 LEU HB2 H 1.853 0.003 . 437 443 63 LEU HB3 H 1.253 0.000 . 438 443 63 LEU HG H 1.607 0.005 . 439 443 63 LEU HD1 H 0.944 0.001 . 440 443 63 LEU HD2 H 0.940 0.004 . 441 443 63 LEU CA C 57.989 0.000 . 442 443 63 LEU CB C 41.644 0.000 . 443 443 63 LEU CG C 26.739 0.000 . 444 443 63 LEU CD1 C 25.785 0.000 . 445 443 63 LEU CD2 C 22.676 0.000 . 446 444 64 ASP HA H 4.378 0.004 . 447 444 64 ASP HB2 H 2.729 0.009 . 448 444 64 ASP HB3 H 2.625 0.003 . 449 444 64 ASP CA C 56.739 0.000 . 450 444 64 ASP CB C 40.489 0.000 . 451 445 65 GLN HA H 4.200 0.003 . 452 445 65 GLN HB2 H 2.211 0.005 . 453 445 65 GLN HB3 H 2.055 0.006 . 454 445 65 GLN HG2 H 2.541 0.004 . 455 445 65 GLN HG3 H 2.428 0.004 . 456 445 65 GLN CA C 56.114 0.000 . 457 445 65 GLN CB C 29.239 0.000 . 458 445 65 GLN CG C 33.926 0.000 . 459 447 67 ILE HA H 3.949 0.004 . 460 447 67 ILE HB H 1.892 0.002 . 461 447 67 ILE HG12 H 1.473 0.002 . 462 447 67 ILE HG13 H 1.280 0.006 . 463 447 67 ILE HG2 H 0.985 0.004 . 464 447 67 ILE HD1 H 0.904 0.002 . 465 447 67 ILE CA C 63.927 0.000 . 466 447 67 ILE CB C 39.551 0.000 . 467 447 67 ILE CG1 C 27.676 0.000 . 468 447 67 ILE CG2 C 17.989 0.000 . 469 447 67 ILE CD1 C 13.926 0.000 . 470 448 68 ASP HA H 4.606 0.003 . 471 448 68 ASP HB2 H 3.091 0.001 . 472 448 68 ASP HB3 H 2.992 0.002 . 473 448 68 ASP CA C 52.582 0.000 . 474 448 68 ASP CB C 42.191 0.000 . 475 449 69 ASP HB2 H 2.704 0.000 . 476 449 69 ASP HB3 H 2.551 0.000 . 477 450 70 GLN HA H 3.954 0.002 . 478 450 70 GLN HB2 H 2.149 0.004 . 479 450 70 GLN HB3 H 2.004 0.001 . 480 450 70 GLN HG2 H 2.429 0.001 . 481 450 70 GLN HG3 H 2.343 0.003 . 482 450 70 GLN CA C 58.927 0.000 . 483 450 70 GLN CB C 27.676 0.000 . 484 450 70 GLN CG C 33.614 0.000 . 485 451 71 THR HA H 4.049 0.004 . 486 451 71 THR HB H 4.169 0.002 . 487 451 71 THR HG2 H 1.369 0.002 . 488 451 71 THR CA C 66.739 0.000 . 489 451 71 THR CB C 68.302 0.000 . 490 451 71 THR CG2 C 22.364 0.000 . 491 453 73 ALA HA H 4.317 0.006 . 492 453 73 ALA HB H 1.412 0.001 . 493 453 73 ALA CA C 53.927 0.000 . 494 453 73 ALA CB C 18.301 0.000 . 495 454 74 GLU HA H 4.267 0.004 . 496 454 74 GLU HB2 H 2.250 0.005 . 497 454 74 GLU HB3 H 2.196 0.004 . 498 454 74 GLU HG2 H 2.542 0.002 . 499 454 74 GLU HG3 H 2.366 0.002 . 500 454 74 GLU CA C 57.989 0.000 . 501 454 74 GLU CB C 30.801 0.000 . 502 454 74 GLU CG C 36.426 0.000 . 503 455 75 THR HA H 4.398 0.002 . 504 455 75 THR HB H 3.947 0.004 . 505 455 75 THR HG2 H 1.153 0.004 . 506 455 75 THR CA C 62.364 0.000 . 507 455 75 THR CB C 70.489 0.000 . 508 455 75 THR CG2 C 21.739 0.000 . 509 456 76 PHE HA H 3.751 0.004 . 510 456 76 PHE HB2 H 3.498 0.003 . 511 456 76 PHE HB3 H 2.595 0.005 . 512 456 76 PHE HD1 H 6.679 0.016 . 513 456 76 PHE HD2 H 6.679 0.016 . 514 456 76 PHE HE1 H 6.820 0.004 . 515 456 76 PHE HE2 H 6.820 0.004 . 516 456 76 PHE HZ H 6.746 0.000 . 517 456 76 PHE CA C 63.614 0.000 . 518 456 76 PHE CB C 40.180 0.000 . 519 457 77 ILE HA H 3.494 0.011 . 520 457 77 ILE HB H 1.921 0.003 . 521 457 77 ILE HG12 H 1.799 0.004 . 522 457 77 ILE HG13 H 1.288 0.001 . 523 457 77 ILE HG2 H 0.864 0.005 . 524 457 77 ILE HD1 H 1.084 0.003 . 525 457 77 ILE CA C 63.927 0.000 . 526 457 77 ILE CB C 36.426 0.000 . 527 457 77 ILE CG1 C 28.926 0.000 . 528 457 77 ILE CG2 C 17.676 0.000 . 529 457 77 ILE CD1 C 12.364 0.000 . 530 458 78 GLN HA H 3.939 0.003 . 531 458 78 GLN HB2 H 1.981 0.003 . 532 458 78 GLN HB3 H 1.861 0.001 . 533 458 78 GLN HG2 H 2.231 0.001 . 534 458 78 GLN HG3 H 2.162 0.002 . 535 458 78 GLN CA C 59.239 0.000 . 536 458 78 GLN CB C 27.989 0.000 . 537 458 78 GLN CG C 33.614 0.000 . 538 459 79 HIS HA H 4.543 0.000 . 539 459 79 HIS HB2 H 2.814 0.005 . 540 459 79 HIS HB3 H 2.503 0.004 . 541 459 79 HIS HD2 H 6.760 0.002 . 542 459 79 HIS CB C 31.426 0.000 . 543 460 80 LEU HA H 3.485 0.008 . 544 460 80 LEU HB2 H 1.653 0.009 . 545 460 80 LEU HB3 H 0.902 0.008 . 546 460 80 LEU HG H 0.596 0.003 . 547 460 80 LEU HD1 H 0.552 0.004 . 548 460 80 LEU HD2 H 0.432 0.005 . 549 460 80 LEU CA C 58.614 0.000 . 550 460 80 LEU CB C 42.052 0.000 . 551 460 80 LEU CG C 26.426 0.000 . 552 460 80 LEU CD1 C 24.551 0.000 . 553 460 80 LEU CD2 C 22.989 0.000 . 554 461 81 ASN HA H 4.197 0.003 . 555 461 81 ASN HB2 H 2.776 0.003 . 556 461 81 ASN HB3 H 2.695 0.003 . 557 461 81 ASN CA C 55.802 0.000 . 558 461 81 ASN CB C 37.676 0.000 . 559 462 82 ALA HA H 4.227 0.002 . 560 462 82 ALA HB H 1.586 0.001 . 561 462 82 ALA CA C 55.489 0.000 . 562 462 82 ALA CB C 17.989 0.000 . 563 463 83 VAL HA H 3.625 0.005 . 564 463 83 VAL HB H 2.407 0.005 . 565 463 83 VAL HG1 H 1.101 0.002 . 566 463 83 VAL HG2 H 1.001 0.002 . 567 463 83 VAL CA C 66.427 0.000 . 568 463 83 VAL CB C 31.739 0.000 . 569 463 83 VAL CG1 C 23.301 0.000 . 570 463 83 VAL CG2 C 23.301 0.000 . 571 464 84 TYR HA H 4.131 0.003 . 572 464 84 TYR HB2 H 3.266 0.005 . 573 464 84 TYR HB3 H 3.146 0.007 . 574 464 84 TYR HD1 H 6.961 0.006 . 575 464 84 TYR HD2 H 6.961 0.006 . 576 464 84 TYR HE1 H 6.642 0.004 . 577 464 84 TYR HE2 H 6.642 0.004 . 578 464 84 TYR CA C 60.802 0.000 . 579 464 84 TYR CB C 35.801 0.000 . 580 465 85 GLU HA H 4.224 0.004 . 581 465 85 GLU HB2 H 2.213 0.011 . 582 465 85 GLU HB3 H 2.213 0.011 . 583 465 85 GLU HG2 H 2.370 0.005 . 584 465 85 GLU HG3 H 2.247 0.002 . 585 465 85 GLU CA C 59.864 0.000 . 586 465 85 GLU CB C 29.551 0.000 . 587 465 85 GLU CG C 36.114 0.000 . 588 466 86 ILE HA H 3.789 0.003 . 589 466 86 ILE HB H 1.963 0.002 . 590 466 86 ILE HG12 H 1.794 0.004 . 591 466 86 ILE HG13 H 1.205 0.003 . 592 466 86 ILE HG2 H 0.950 0.001 . 593 466 86 ILE HD1 H 0.858 0.002 . 594 466 86 ILE CA C 64.864 0.000 . 595 466 86 ILE CB C 38.926 0.000 . 596 466 86 ILE CG1 C 29.551 0.000 . 597 466 86 ILE CG2 C 17.364 0.000 . 598 466 86 ILE CD1 C 13.614 0.000 . 599 467 87 LEU HA H 4.298 0.006 . 600 467 87 LEU HB2 H 1.640 0.000 . 601 467 87 LEU HB3 H 1.530 0.000 . 602 467 87 LEU HG H 0.726 0.001 . 603 467 87 LEU HD1 H 0.313 0.001 . 604 467 87 LEU HD2 H 0.818 0.002 . 605 467 87 LEU CA C 55.177 0.000 . 606 467 87 LEU CG C 26.879 0.000 . 607 467 87 LEU CD1 C 24.691 0.000 . 608 467 87 LEU CD2 C 21.957 0.000 . 609 468 88 GLY HA2 H 3.884 0.008 . 610 468 88 GLY HA3 H 3.966 0.001 . 611 468 88 GLY CA C 47.052 0.000 . 612 469 89 LEU HA H 4.915 0.004 . 613 469 89 LEU HB2 H 1.225 0.007 . 614 469 89 LEU HB3 H 0.769 0.005 . 615 469 89 LEU HG H 1.235 0.001 . 616 469 89 LEU HD1 H 0.314 0.002 . 617 469 89 LEU HD2 H 0.435 0.004 . 618 469 89 LEU CA C 52.582 0.000 . 619 469 89 LEU CB C 44.239 0.000 . 620 469 89 LEU CG C 26.426 0.000 . 621 469 89 LEU CD1 C 25.489 0.000 . 622 469 89 LEU CD2 C 22.051 0.000 . 623 470 90 ASN HA H 4.769 0.002 . 624 470 90 ASN HB2 H 3.486 0.003 . 625 470 90 ASN HB3 H 2.823 0.003 . 626 470 90 ASN CA C 50.394 0.000 . 627 470 90 ASN CB C 38.363 0.000 . 628 471 91 ALA HA H 4.307 0.006 . 629 471 91 ALA HB H 1.574 0.002 . 630 471 91 ALA CA C 55.316 0.000 . 631 471 91 ALA CB C 18.675 0.000 . 632 472 92 ARG HA H 4.284 0.005 . 633 472 92 ARG HB2 H 2.195 0.007 . 634 472 92 ARG HB3 H 2.195 0.007 . 635 472 92 ARG HG2 H 1.694 0.007 . 636 472 92 ARG HG3 H 1.375 0.005 . 637 472 92 ARG HD2 H 3.155 0.003 . 638 472 92 ARG HD3 H 3.118 0.005 . 639 472 92 ARG CA C 56.114 0.000 . 640 472 92 ARG CB C 29.551 0.000 . 641 472 92 ARG CG C 27.989 0.000 . 642 472 92 ARG CD C 42.677 0.000 . 643 473 93 GLY HA2 H 3.293 0.003 . 644 473 93 GLY HA3 H 4.046 0.003 . 645 473 93 GLY CA C 46.427 0.000 . 646 474 94 GLN HA H 4.431 0.006 . 647 474 94 GLN HB2 H 2.009 0.005 . 648 474 94 GLN HB3 H 1.912 0.005 . 649 474 94 GLN HG2 H 2.278 0.003 . 650 474 94 GLN HG3 H 2.243 0.010 . 651 474 94 GLN CA C 53.614 0.000 . 652 474 94 GLN CB C 29.864 0.000 . 653 474 94 GLN CG C 33.614 0.000 . 654 475 95 SER HA H 4.558 0.003 . 655 475 95 SER HB2 H 3.839 0.006 . 656 475 95 SER HB3 H 3.792 0.002 . 657 475 95 SER CA C 59.239 0.000 . 658 475 95 SER CB C 63.614 0.000 . 659 476 96 ILE HA H 4.158 0.004 . 660 476 96 ILE HB H 1.885 0.003 . 661 476 96 ILE HG12 H 1.329 0.001 . 662 476 96 ILE HG13 H 1.044 0.005 . 663 476 96 ILE HG2 H 0.882 0.006 . 664 476 96 ILE HD1 H 0.780 0.004 . 665 476 96 ILE CA C 62.052 0.000 . 666 476 96 ILE CB C 38.926 0.000 . 667 476 96 ILE CG1 C 27.364 0.000 . 668 476 96 ILE CG2 C 18.301 0.000 . 669 476 96 ILE CD1 C 13.926 0.000 . 670 477 97 ARG HA H 4.359 0.001 . 671 477 97 ARG HB2 H 1.812 0.002 . 672 477 97 ARG HB3 H 1.702 0.002 . 673 477 97 ARG HG2 H 1.623 0.002 . 674 477 97 ARG HG3 H 1.559 0.003 . 675 477 97 ARG HD2 H 3.152 0.001 . 676 477 97 ARG HD3 H 3.152 0.001 . 677 477 97 ARG CA C 56.410 0.000 . 678 477 97 ARG CB C 30.707 0.000 . 679 477 97 ARG CG C 26.879 0.000 . 680 477 97 ARG CD C 43.832 0.000 . 681 479 99 GLU HA H 4.184 0.002 . 682 479 99 GLU HB2 H 1.901 0.003 . 683 479 99 GLU HB3 H 1.832 0.003 . 684 479 99 GLU HG2 H 2.192 0.005 . 685 479 99 GLU HG3 H 2.110 0.006 . 686 479 99 GLU CA C 56.410 0.000 . 687 479 99 GLU CB C 30.160 0.000 . 688 479 99 GLU CG C 36.722 0.000 . stop_ save_