data_34475 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; LEDGF/p75 dimer (residues 345-467) ; _BMRB_accession_number 34475 _BMRB_flat_file_name bmr34475.str _Entry_type original _Submission_date 2020-01-10 _Accession_date 2020-01-10 _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 Lux V. . . 2 Veverka V. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 734 "13C chemical shifts" 549 "15N chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-11-04 update BMRB 'update entry citation' 2020-09-07 original author 'original release' stop_ _Original_release_date 2020-07-14 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular Mechanism of LEDGF/p75 Dimerization ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32946742 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lux Vanda . . 2 Brouns Tine . . 3 Cermakova Katerina . . 4 Srb Pavel . . 5 Fabry Milan . . 6 Madlikova Marcela . . 7 Horejsi Magdalena . . 8 Kukacka Zdenek . . 9 Novak Petr . . 10 Kugler Michael . . 11 Brynda Jiri . . 12 DeRijck Jan . . 13 Christ Frauke . . 14 Debyser Zeger . . 15 Veverka Vaclav . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume . _Journal_issue . _Journal_ISSN 1878-4186 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PC4 and SFRS1-interacting protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_1 $entity_1 unit_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 14644.854 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; SNAASETSMDSRLQRIHAEI KNSLKIDNLDVNRCIEALDE LASLQVTMQQAQKHTEMITT LKKIRRFKVSQVIMEKSTML YNKFKNMFLVGEGDSVITQV LNKSLAEQRQHEEANKTKDQ GKKGPNKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 340 SER 2 341 ASN 3 342 ALA 4 343 ALA 5 344 SER 6 345 GLU 7 346 THR 8 347 SER 9 348 MET 10 349 ASP 11 350 SER 12 351 ARG 13 352 LEU 14 353 GLN 15 354 ARG 16 355 ILE 17 356 HIS 18 357 ALA 19 358 GLU 20 359 ILE 21 360 LYS 22 361 ASN 23 362 SER 24 363 LEU 25 364 LYS 26 365 ILE 27 366 ASP 28 367 ASN 29 368 LEU 30 369 ASP 31 370 VAL 32 371 ASN 33 372 ARG 34 373 CYS 35 374 ILE 36 375 GLU 37 376 ALA 38 377 LEU 39 378 ASP 40 379 GLU 41 380 LEU 42 381 ALA 43 382 SER 44 383 LEU 45 384 GLN 46 385 VAL 47 386 THR 48 387 MET 49 388 GLN 50 389 GLN 51 390 ALA 52 391 GLN 53 392 LYS 54 393 HIS 55 394 THR 56 395 GLU 57 396 MET 58 397 ILE 59 398 THR 60 399 THR 61 400 LEU 62 401 LYS 63 402 LYS 64 403 ILE 65 404 ARG 66 405 ARG 67 406 PHE 68 407 LYS 69 408 VAL 70 409 SER 71 410 GLN 72 411 VAL 73 412 ILE 74 413 MET 75 414 GLU 76 415 LYS 77 416 SER 78 417 THR 79 418 MET 80 419 LEU 81 420 TYR 82 421 ASN 83 422 LYS 84 423 PHE 85 424 LYS 86 425 ASN 87 426 MET 88 427 PHE 89 428 LEU 90 429 VAL 91 430 GLY 92 431 GLU 93 432 GLY 94 433 ASP 95 434 SER 96 435 VAL 97 436 ILE 98 437 THR 99 438 GLN 100 439 VAL 101 440 LEU 102 441 ASN 103 442 LYS 104 443 SER 105 444 LEU 106 445 ALA 107 446 GLU 108 447 GLN 109 448 ARG 110 449 GLN 111 450 HIS 112 451 GLU 113 452 GLU 114 453 ALA 115 454 ASN 116 455 LYS 117 456 THR 118 457 LYS 119 458 ASP 120 459 GLN 121 460 GLY 122 461 LYS 123 462 LYS 124 463 GLY 125 464 PRO 126 465 ASN 127 466 LYS 128 467 LYS 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 Human 9606 Eukaryota Metazoa Homo sapiens 'PSIP1, DFS70, LEDGF, PSIP2' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-13C; U-15N] LEDGF, 20 mM HEPES, 100 mM sodium chloride, 1 mM TCEP, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' HEPES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _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' 120 . mM pH 7 . pH pressure 1 . atm 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 DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '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 unit_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 1 341 2 ASN HA H 4.781 0.000 . 2 341 2 ASN HB2 H 2.886 0.000 . 3 341 2 ASN HB3 H 2.801 0.000 . 4 341 2 ASN C C 175.091 0.000 . 5 341 2 ASN CA C 53.186 0.000 . 6 341 2 ASN CB C 38.879 0.000 . 7 342 3 ALA H H 8.419 0.002 . 8 342 3 ALA HA H 4.297 0.000 . 9 342 3 ALA HB H 1.401 0.000 . 10 342 3 ALA C C 177.826 0.002 . 11 342 3 ALA CA C 53.018 0.055 . 12 342 3 ALA CB C 19.051 0.029 . 13 342 3 ALA N N 124.822 0.009 . 14 343 4 ALA H H 8.318 0.001 . 15 343 4 ALA HA H 4.330 0.000 . 16 343 4 ALA HB H 1.419 0.000 . 17 343 4 ALA C C 178.227 0.000 . 18 343 4 ALA CA C 52.923 0.042 . 19 343 4 ALA CB C 18.997 0.018 . 20 343 4 ALA N N 123.061 0.003 . 21 344 5 SER H H 8.223 0.001 . 22 344 5 SER HA H 4.425 0.000 . 23 344 5 SER HB2 H 3.956 0.000 . 24 344 5 SER HB3 H 3.903 0.000 . 25 344 5 SER C C 175.081 0.000 . 26 344 5 SER CA C 58.719 0.073 . 27 344 5 SER CB C 63.770 0.012 . 28 344 5 SER N N 114.761 0.006 . 29 345 6 GLU H H 8.446 0.001 . 30 345 6 GLU HA H 4.390 0.000 . 31 345 6 GLU HB2 H 2.127 0.000 . 32 345 6 GLU HB3 H 2.030 0.000 . 33 345 6 GLU HG2 H 2.333 0.000 . 34 345 6 GLU HG3 H 2.309 0.000 . 35 345 6 GLU C C 177.236 0.002 . 36 345 6 GLU CA C 57.328 0.044 . 37 345 6 GLU CB C 30.125 0.082 . 38 345 6 GLU CG C 36.365 0.011 . 39 345 6 GLU N N 123.041 0.006 . 40 346 7 THR H H 8.332 0.003 . 41 346 7 THR HA H 4.416 0.000 . 42 346 7 THR HB H 4.362 0.000 . 43 346 7 THR HG2 H 1.220 0.000 . 44 346 7 THR C C 175.477 0.000 . 45 346 7 THR CA C 62.553 0.021 . 46 346 7 THR CB C 69.950 0.029 . 47 346 7 THR CG2 C 22.034 0.000 . 48 346 7 THR N N 114.403 0.008 . 49 348 9 MET HA H 4.443 0.000 . 50 348 9 MET HB2 H 2.233 0.000 . 51 348 9 MET HB3 H 2.031 0.000 . 52 348 9 MET HG2 H 2.652 0.006 . 53 348 9 MET HG3 H 2.501 0.000 . 54 348 9 MET HE H 2.121 0.000 . 55 348 9 MET C C 177.893 0.000 . 56 348 9 MET CA C 57.294 0.017 . 57 348 9 MET CB C 31.154 0.094 . 58 348 9 MET CG C 32.202 0.006 . 59 348 9 MET CE C 16.861 0.000 . 60 349 10 ASP H H 8.367 0.002 . 61 349 10 ASP HA H 4.461 0.000 . 62 349 10 ASP HB2 H 2.838 0.003 . 63 349 10 ASP HB3 H 2.838 0.003 . 64 349 10 ASP C C 178.223 0.004 . 65 349 10 ASP CA C 58.395 0.020 . 66 349 10 ASP CB C 40.993 0.071 . 67 349 10 ASP N N 118.770 0.014 . 68 350 11 SER H H 7.989 0.002 . 69 350 11 SER HA H 4.252 0.000 . 70 350 11 SER HB2 H 4.000 0.000 . 71 350 11 SER HB3 H 4.000 0.000 . 72 350 11 SER C C 177.287 0.000 . 73 350 11 SER CA C 61.620 0.015 . 74 350 11 SER CB C 62.748 0.017 . 75 350 11 SER N N 114.508 0.011 . 76 351 12 ARG H H 8.066 0.003 . 77 351 12 ARG HA H 4.066 0.000 . 78 351 12 ARG HB2 H 1.975 0.006 . 79 351 12 ARG HB3 H 1.975 0.006 . 80 351 12 ARG HG2 H 1.819 0.005 . 81 351 12 ARG HG3 H 1.596 0.000 . 82 351 12 ARG HD2 H 3.178 0.000 . 83 351 12 ARG HD3 H 3.178 0.000 . 84 351 12 ARG C C 178.452 0.000 . 85 351 12 ARG CA C 59.715 0.069 . 86 351 12 ARG CB C 30.493 0.034 . 87 351 12 ARG CG C 27.204 0.045 . 88 351 12 ARG CD C 43.990 0.000 . 89 351 12 ARG N N 123.798 0.008 . 90 352 13 LEU H H 8.446 0.003 . 91 352 13 LEU HA H 3.830 0.008 . 92 352 13 LEU HB2 H 1.303 0.000 . 93 352 13 LEU HB3 H 0.709 0.000 . 94 352 13 LEU HG H 1.594 0.005 . 95 352 13 LEU HD1 H 0.382 0.006 . 96 352 13 LEU HD2 H 0.544 0.004 . 97 352 13 LEU C C 179.566 0.000 . 98 352 13 LEU CA C 58.180 0.027 . 99 352 13 LEU CB C 40.579 0.067 . 100 352 13 LEU CG C 26.396 0.114 . 101 352 13 LEU CD1 C 25.351 0.020 . 102 352 13 LEU CD2 C 23.366 0.024 . 103 352 13 LEU N N 118.430 0.019 . 104 353 14 GLN H H 8.220 0.003 . 105 353 14 GLN HA H 4.279 0.000 . 106 353 14 GLN HB2 H 2.333 0.000 . 107 353 14 GLN HB3 H 2.236 0.000 . 108 353 14 GLN HG2 H 2.756 0.000 . 109 353 14 GLN HG3 H 2.602 0.000 . 110 353 14 GLN HE21 H 6.903 0.000 . 111 353 14 GLN HE22 H 7.540 0.000 . 112 353 14 GLN C C 179.195 0.000 . 113 353 14 GLN CA C 59.533 0.039 . 114 353 14 GLN CB C 28.357 0.098 . 115 353 14 GLN CG C 34.448 0.033 . 116 353 14 GLN N N 119.114 0.006 . 117 353 14 GLN NE2 N 111.346 0.002 . 118 354 15 ARG H H 7.986 0.003 . 119 354 15 ARG HA H 4.184 0.009 . 120 354 15 ARG HB2 H 2.079 0.004 . 121 354 15 ARG HB3 H 1.954 0.002 . 122 354 15 ARG HG2 H 1.757 0.010 . 123 354 15 ARG HG3 H 1.654 0.000 . 124 354 15 ARG HD2 H 3.299 0.000 . 125 354 15 ARG HD3 H 3.180 0.000 . 126 354 15 ARG C C 178.743 0.000 . 127 354 15 ARG CA C 59.678 0.026 . 128 354 15 ARG CB C 28.938 0.052 . 129 354 15 ARG CG C 26.949 0.167 . 130 354 15 ARG CD C 44.157 0.000 . 131 354 15 ARG N N 122.035 0.007 . 132 355 16 ILE H H 8.431 0.005 . 133 355 16 ILE HA H 3.630 0.008 . 134 355 16 ILE HB H 1.804 0.003 . 135 355 16 ILE HG12 H 1.891 0.004 . 136 355 16 ILE HG13 H 1.054 0.008 . 137 355 16 ILE HG2 H 0.968 0.006 . 138 355 16 ILE HD1 H 0.749 0.000 . 139 355 16 ILE C C 177.712 0.000 . 140 355 16 ILE CA C 65.794 0.066 . 141 355 16 ILE CB C 38.789 0.012 . 142 355 16 ILE CG1 C 30.298 0.012 . 143 355 16 ILE CG2 C 18.426 0.008 . 144 355 16 ILE CD1 C 15.397 0.006 . 145 355 16 ILE N N 120.786 0.014 . 146 356 17 HIS H H 8.469 0.005 . 147 356 17 HIS HA H 4.321 0.000 . 148 356 17 HIS HB2 H 3.262 0.004 . 149 356 17 HIS HB3 H 3.425 0.000 . 150 356 17 HIS HD2 H 6.835 0.000 . 151 356 17 HIS C C 176.711 0.000 . 152 356 17 HIS CA C 57.997 0.024 . 153 356 17 HIS CB C 29.838 0.020 . 154 356 17 HIS N N 117.910 0.027 . 155 357 18 ALA H H 7.954 0.002 . 156 357 18 ALA HA H 3.835 0.000 . 157 357 18 ALA HB H 1.514 0.002 . 158 357 18 ALA C C 179.768 0.000 . 159 357 18 ALA CA C 55.522 0.004 . 160 357 18 ALA CB C 17.781 0.013 . 161 357 18 ALA N N 119.736 0.008 . 162 358 19 GLU H H 8.438 0.002 . 163 358 19 GLU HA H 4.301 0.000 . 164 358 19 GLU HB2 H 1.858 0.000 . 165 358 19 GLU HB3 H 1.811 0.000 . 166 358 19 GLU HG2 H 2.378 0.000 . 167 358 19 GLU HG3 H 2.378 0.000 . 168 358 19 GLU C C 179.944 0.000 . 169 358 19 GLU CA C 59.289 0.056 . 170 358 19 GLU CB C 30.490 0.131 . 171 358 19 GLU CG C 36.611 0.023 . 172 358 19 GLU N N 118.570 0.009 . 173 359 20 ILE H H 8.336 0.004 . 174 359 20 ILE HA H 3.569 0.002 . 175 359 20 ILE HB H 2.042 0.006 . 176 359 20 ILE HG12 H 2.065 0.000 . 177 359 20 ILE HG13 H 0.923 0.001 . 178 359 20 ILE HG2 H 0.778 0.004 . 179 359 20 ILE HD1 H 0.762 0.005 . 180 359 20 ILE C C 177.561 0.000 . 181 359 20 ILE CA C 66.302 0.035 . 182 359 20 ILE CB C 38.692 0.058 . 183 359 20 ILE CG1 C 29.212 0.031 . 184 359 20 ILE CG2 C 17.567 0.010 . 185 359 20 ILE CD1 C 14.390 0.014 . 186 359 20 ILE N N 120.648 0.019 . 187 360 21 LYS H H 8.155 0.005 . 188 360 21 LYS HA H 3.765 0.006 . 189 360 21 LYS HB2 H 1.682 0.010 . 190 360 21 LYS HB3 H 1.610 0.001 . 191 360 21 LYS HG2 H 1.406 0.000 . 192 360 21 LYS HG3 H 1.290 0.006 . 193 360 21 LYS HD2 H 1.444 0.000 . 194 360 21 LYS HD3 H 1.380 0.000 . 195 360 21 LYS HE2 H 2.640 0.000 . 196 360 21 LYS HE3 H 2.165 0.000 . 197 360 21 LYS C C 180.287 0.000 . 198 360 21 LYS CA C 60.401 0.047 . 199 360 21 LYS CB C 32.167 0.104 . 200 360 21 LYS CG C 25.631 0.019 . 201 360 21 LYS CD C 29.292 0.023 . 202 360 21 LYS CE C 41.123 0.017 . 203 360 21 LYS N N 116.301 0.050 . 204 361 22 ASN H H 8.762 0.001 . 205 361 22 ASN HA H 4.427 0.000 . 206 361 22 ASN HB2 H 2.824 0.000 . 207 361 22 ASN HB3 H 2.744 0.000 . 208 361 22 ASN HD21 H 7.423 0.000 . 209 361 22 ASN HD22 H 7.004 0.000 . 210 361 22 ASN C C 177.728 0.000 . 211 361 22 ASN CA C 55.768 0.017 . 212 361 22 ASN CB C 38.299 0.065 . 213 361 22 ASN N N 115.953 0.007 . 214 361 22 ASN ND2 N 112.770 0.006 . 215 362 23 SER H H 7.912 0.002 . 216 362 23 SER HA H 4.345 0.000 . 217 362 23 SER HB2 H 4.254 0.000 . 218 362 23 SER HB3 H 4.002 0.000 . 219 362 23 SER C C 173.467 0.000 . 220 362 23 SER CA C 61.532 0.049 . 221 362 23 SER CB C 63.316 0.007 . 222 362 23 SER N N 114.973 0.008 . 223 363 24 LEU H H 6.832 0.003 . 224 363 24 LEU HA H 4.425 0.000 . 225 363 24 LEU HB2 H 1.496 0.003 . 226 363 24 LEU HB3 H 1.368 0.000 . 227 363 24 LEU HG H 1.825 0.001 . 228 363 24 LEU HD1 H 0.588 0.000 . 229 363 24 LEU HD2 H 0.475 0.000 . 230 363 24 LEU C C 176.354 0.000 . 231 363 24 LEU CA C 53.745 0.052 . 232 363 24 LEU CB C 41.011 0.047 . 233 363 24 LEU CG C 25.731 0.065 . 234 363 24 LEU CD1 C 26.278 0.000 . 235 363 24 LEU CD2 C 21.865 0.006 . 236 363 24 LEU N N 118.626 0.014 . 237 364 25 LYS H H 6.967 0.004 . 238 364 25 LYS HA H 4.246 0.000 . 239 364 25 LYS HB2 H 1.906 0.006 . 240 364 25 LYS HB3 H 1.759 0.001 . 241 364 25 LYS HG2 H 1.713 0.000 . 242 364 25 LYS HG3 H 1.510 0.000 . 243 364 25 LYS HD2 H 1.781 0.000 . 244 364 25 LYS HD3 H 1.781 0.000 . 245 364 25 LYS HE2 H 3.059 0.002 . 246 364 25 LYS HE3 H 3.059 0.002 . 247 364 25 LYS C C 178.342 0.000 . 248 364 25 LYS CA C 56.584 0.054 . 249 364 25 LYS CB C 33.126 0.059 . 250 364 25 LYS CG C 25.103 0.050 . 251 364 25 LYS CD C 29.444 0.000 . 252 364 25 LYS CE C 42.253 0.000 . 253 364 25 LYS N N 121.534 0.024 . 254 365 26 ILE H H 8.263 0.003 . 255 365 26 ILE HA H 3.886 0.000 . 256 365 26 ILE HB H 1.956 0.005 . 257 365 26 ILE HG12 H 1.557 0.000 . 258 365 26 ILE HG13 H 1.394 0.000 . 259 365 26 ILE HG2 H 1.009 0.000 . 260 365 26 ILE HD1 H 0.970 0.000 . 261 365 26 ILE C C 176.566 0.000 . 262 365 26 ILE CA C 63.560 0.036 . 263 365 26 ILE CB C 38.096 0.064 . 264 365 26 ILE CG1 C 28.181 0.008 . 265 365 26 ILE CG2 C 17.632 0.057 . 266 365 26 ILE CD1 C 13.306 0.004 . 267 365 26 ILE N N 122.577 0.024 . 268 366 27 ASP H H 8.425 0.005 . 269 366 27 ASP HA H 4.534 0.000 . 270 366 27 ASP HB2 H 2.768 0.008 . 271 366 27 ASP HB3 H 2.692 0.001 . 272 366 27 ASP C C 175.848 0.000 . 273 366 27 ASP CA C 54.493 0.010 . 274 366 27 ASP CB C 40.252 0.103 . 275 366 27 ASP N N 117.898 0.055 . 276 367 28 ASN H H 7.836 0.006 . 277 367 28 ASN HA H 4.803 0.000 . 278 367 28 ASN HB2 H 2.762 0.000 . 279 367 28 ASN HB3 H 2.503 0.002 . 280 367 28 ASN HD21 H 7.418 0.000 . 281 367 28 ASN HD22 H 6.879 0.000 . 282 367 28 ASN C C 173.000 0.004 . 283 367 28 ASN CA C 52.971 0.036 . 284 367 28 ASN CB C 39.528 0.071 . 285 367 28 ASN N N 118.824 0.018 . 286 367 28 ASN ND2 N 112.187 0.025 . 287 368 29 LEU H H 7.897 0.001 . 288 368 29 LEU HA H 4.288 0.000 . 289 368 29 LEU HB2 H 1.653 0.003 . 290 368 29 LEU HB3 H 1.653 0.003 . 291 368 29 LEU HG H 1.667 0.000 . 292 368 29 LEU HD1 H 1.019 0.000 . 293 368 29 LEU HD2 H 0.948 0.000 . 294 368 29 LEU C C 177.368 0.006 . 295 368 29 LEU CA C 56.388 0.034 . 296 368 29 LEU CB C 42.670 0.065 . 297 368 29 LEU CG C 27.212 0.000 . 298 368 29 LEU CD1 C 24.956 0.000 . 299 368 29 LEU CD2 C 25.670 0.000 . 300 368 29 LEU N N 123.432 0.012 . 301 369 30 ASP H H 9.256 0.002 . 302 369 30 ASP HA H 4.881 0.000 . 303 369 30 ASP HB2 H 3.001 0.000 . 304 369 30 ASP HB3 H 2.486 0.000 . 305 369 30 ASP C C 175.574 0.000 . 306 369 30 ASP CA C 52.403 0.013 . 307 369 30 ASP CB C 40.879 0.092 . 308 369 30 ASP N N 127.437 0.005 . 309 370 31 VAL H H 8.430 0.003 . 310 370 31 VAL HA H 3.516 0.000 . 311 370 31 VAL HB H 2.126 0.000 . 312 370 31 VAL HG1 H 1.074 0.000 . 313 370 31 VAL HG2 H 1.118 0.000 . 314 370 31 VAL C C 177.693 0.000 . 315 370 31 VAL CA C 66.471 0.087 . 316 370 31 VAL CB C 31.956 0.090 . 317 370 31 VAL CG1 C 21.595 0.020 . 318 370 31 VAL CG2 C 21.588 0.000 . 319 370 31 VAL N N 122.776 0.015 . 320 371 32 ASN H H 8.493 0.003 . 321 371 32 ASN HA H 4.435 0.000 . 322 371 32 ASN HB2 H 2.901 0.000 . 323 371 32 ASN HB3 H 2.826 0.000 . 324 371 32 ASN HD21 H 7.787 0.000 . 325 371 32 ASN HD22 H 6.957 0.000 . 326 371 32 ASN C C 177.587 0.006 . 327 371 32 ASN CA C 56.719 0.027 . 328 371 32 ASN CB C 37.751 0.106 . 329 371 32 ASN N N 117.634 0.010 . 330 371 32 ASN ND2 N 113.258 0.008 . 331 372 33 ARG H H 7.705 0.003 . 332 372 33 ARG HA H 4.080 0.006 . 333 372 33 ARG HB2 H 1.821 0.000 . 334 372 33 ARG HB3 H 1.797 0.000 . 335 372 33 ARG HG2 H 1.749 0.000 . 336 372 33 ARG HG3 H 1.543 0.000 . 337 372 33 ARG HD2 H 3.204 0.000 . 338 372 33 ARG HD3 H 3.073 0.000 . 339 372 33 ARG C C 178.522 0.000 . 340 372 33 ARG CA C 58.710 0.001 . 341 372 33 ARG CB C 30.683 0.042 . 342 372 33 ARG CG C 27.151 0.045 . 343 372 33 ARG CD C 44.195 0.005 . 344 372 33 ARG N N 121.672 0.008 . 345 373 34 CYS H H 7.834 0.001 . 346 373 34 CYS HA H 3.885 0.000 . 347 373 34 CYS HB2 H 3.157 0.000 . 348 373 34 CYS HB3 H 3.044 0.000 . 349 373 34 CYS C C 176.837 0.100 . 350 373 34 CYS CA C 63.465 0.027 . 351 373 34 CYS CB C 26.776 0.040 . 352 373 34 CYS N N 120.210 0.005 . 353 374 35 ILE H H 8.470 0.002 . 354 374 35 ILE HA H 3.406 0.002 . 355 374 35 ILE HB H 1.931 0.000 . 356 374 35 ILE HG12 H 1.906 0.000 . 357 374 35 ILE HG13 H 0.717 0.000 . 358 374 35 ILE HG2 H 0.892 0.000 . 359 374 35 ILE HD1 H 0.895 0.003 . 360 374 35 ILE C C 176.979 0.000 . 361 374 35 ILE CA C 66.609 0.056 . 362 374 35 ILE CB C 37.939 0.066 . 363 374 35 ILE CG1 C 31.221 0.011 . 364 374 35 ILE CG2 C 17.677 0.057 . 365 374 35 ILE CD1 C 14.258 0.021 . 366 374 35 ILE N N 118.930 0.020 . 367 375 36 GLU H H 8.026 0.001 . 368 375 36 GLU HA H 4.082 0.000 . 369 375 36 GLU HB2 H 2.111 0.000 . 370 375 36 GLU HB3 H 2.059 0.000 . 371 375 36 GLU HG2 H 2.498 0.000 . 372 375 36 GLU HG3 H 2.298 0.000 . 373 375 36 GLU C C 179.839 0.000 . 374 375 36 GLU CA C 59.924 0.015 . 375 375 36 GLU CB C 29.432 0.000 . 376 375 36 GLU CG C 36.674 0.016 . 377 375 36 GLU N N 118.214 0.009 . 378 376 37 ALA H H 7.609 0.002 . 379 376 37 ALA HA H 4.395 0.000 . 380 376 37 ALA HB H 1.596 0.000 . 381 376 37 ALA C C 179.493 0.000 . 382 376 37 ALA CA C 55.375 0.037 . 383 376 37 ALA CB C 18.596 0.066 . 384 376 37 ALA N N 122.961 0.012 . 385 377 38 LEU H H 8.505 0.004 . 386 377 38 LEU HA H 3.915 0.000 . 387 377 38 LEU HB2 H 2.070 0.006 . 388 377 38 LEU HB3 H 1.233 0.001 . 389 377 38 LEU HG H 2.088 0.003 . 390 377 38 LEU HD1 H 0.876 0.005 . 391 377 38 LEU HD2 H 0.691 0.000 . 392 377 38 LEU C C 179.843 0.000 . 393 377 38 LEU CA C 57.929 0.047 . 394 377 38 LEU CB C 41.257 0.056 . 395 377 38 LEU CG C 26.440 0.055 . 396 377 38 LEU CD1 C 28.035 0.007 . 397 377 38 LEU CD2 C 23.286 0.014 . 398 377 38 LEU N N 118.419 0.008 . 399 378 39 ASP H H 9.000 0.001 . 400 378 39 ASP HA H 4.457 0.000 . 401 378 39 ASP HB2 H 2.757 0.000 . 402 378 39 ASP HB3 H 2.557 0.000 . 403 378 39 ASP C C 179.568 0.001 . 404 378 39 ASP CA C 57.365 0.035 . 405 378 39 ASP CB C 39.266 0.095 . 406 378 39 ASP N N 121.324 0.006 . 407 379 40 GLU H H 8.166 0.002 . 408 379 40 GLU HA H 4.008 0.004 . 409 379 40 GLU HB2 H 2.162 0.000 . 410 379 40 GLU HB3 H 2.162 0.000 . 411 379 40 GLU HG2 H 2.374 0.000 . 412 379 40 GLU HG3 H 2.072 0.000 . 413 379 40 GLU C C 180.491 0.002 . 414 379 40 GLU CA C 59.826 0.023 . 415 379 40 GLU CB C 28.705 0.023 . 416 379 40 GLU CG C 36.305 0.105 . 417 379 40 GLU N N 123.515 0.027 . 418 380 41 LEU H H 8.568 0.003 . 419 380 41 LEU HA H 4.015 0.002 . 420 380 41 LEU HB2 H 2.270 0.006 . 421 380 41 LEU HB3 H 1.740 0.001 . 422 380 41 LEU HG H 1.783 0.000 . 423 380 41 LEU HD1 H 1.021 0.000 . 424 380 41 LEU HD2 H 1.012 0.000 . 425 380 41 LEU C C 178.742 0.000 . 426 380 41 LEU CA C 57.911 0.147 . 427 380 41 LEU CB C 41.184 0.022 . 428 380 41 LEU CG C 27.158 0.000 . 429 380 41 LEU CD1 C 26.416 0.025 . 430 380 41 LEU CD2 C 23.380 0.000 . 431 380 41 LEU N N 121.450 0.028 . 432 381 42 ALA H H 8.383 0.003 . 433 381 42 ALA HA H 4.027 0.000 . 434 381 42 ALA HB H 1.594 0.000 . 435 381 42 ALA C C 177.849 0.000 . 436 381 42 ALA CA C 54.402 0.012 . 437 381 42 ALA CB C 18.787 0.005 . 438 381 42 ALA N N 118.918 0.036 . 439 382 43 SER H H 7.595 0.002 . 440 382 43 SER HA H 4.446 0.000 . 441 382 43 SER HB2 H 4.077 0.000 . 442 382 43 SER HB3 H 3.981 0.000 . 443 382 43 SER C C 174.274 0.000 . 444 382 43 SER CA C 59.411 0.047 . 445 382 43 SER CB C 64.508 0.011 . 446 382 43 SER N N 112.109 0.021 . 447 383 44 LEU H H 7.298 0.002 . 448 383 44 LEU HA H 4.374 0.000 . 449 383 44 LEU HB2 H 1.868 0.000 . 450 383 44 LEU HB3 H 1.315 0.000 . 451 383 44 LEU HG H 2.070 0.000 . 452 383 44 LEU HD1 H 0.796 0.000 . 453 383 44 LEU HD2 H 0.785 0.000 . 454 383 44 LEU C C 177.115 0.000 . 455 383 44 LEU CA C 54.712 0.053 . 456 383 44 LEU CB C 43.164 0.111 . 457 383 44 LEU CG C 25.816 0.000 . 458 383 44 LEU CD1 C 25.944 0.000 . 459 383 44 LEU CD2 C 22.433 0.018 . 460 383 44 LEU N N 122.206 0.016 . 461 384 45 GLN H H 8.689 0.003 . 462 384 45 GLN HA H 4.470 0.000 . 463 384 45 GLN HB2 H 2.045 0.000 . 464 384 45 GLN HB3 H 2.010 0.000 . 465 384 45 GLN HG2 H 2.360 0.000 . 466 384 45 GLN HG3 H 2.324 0.000 . 467 384 45 GLN C C 174.465 0.000 . 468 384 45 GLN CA C 54.919 0.130 . 469 384 45 GLN CB C 27.456 0.069 . 470 384 45 GLN CG C 33.713 0.053 . 471 384 45 GLN N N 123.895 0.013 . 472 385 46 VAL H H 7.835 0.002 . 473 385 46 VAL HA H 4.436 0.004 . 474 385 46 VAL HB H 1.979 0.000 . 475 385 46 VAL HG1 H 0.930 0.000 . 476 385 46 VAL HG2 H 0.969 0.000 . 477 385 46 VAL C C 176.168 0.000 . 478 385 46 VAL CA C 61.525 0.007 . 479 385 46 VAL CB C 33.906 0.008 . 480 385 46 VAL CG1 C 21.961 0.015 . 481 385 46 VAL CG2 C 21.921 0.000 . 482 385 46 VAL N N 123.589 0.011 . 483 386 47 THR H H 8.563 0.001 . 484 386 47 THR HA H 4.551 0.000 . 485 386 47 THR HB H 4.735 0.000 . 486 386 47 THR HG1 H 5.570 0.000 . 487 386 47 THR HG2 H 1.307 0.000 . 488 386 47 THR C C 175.558 0.002 . 489 386 47 THR CA C 60.391 0.049 . 490 386 47 THR CB C 71.675 0.009 . 491 386 47 THR CG2 C 21.698 0.003 . 492 386 47 THR N N 116.842 0.011 . 493 387 48 MET H H 9.013 0.002 . 494 387 48 MET HA H 4.018 0.006 . 495 387 48 MET HB2 H 2.112 0.000 . 496 387 48 MET HB3 H 2.022 0.000 . 497 387 48 MET HG2 H 2.447 0.000 . 498 387 48 MET HG3 H 2.378 0.000 . 499 387 48 MET HE H 2.031 0.000 . 500 387 48 MET C C 177.744 0.001 . 501 387 48 MET CA C 59.584 0.030 . 502 387 48 MET CB C 32.435 0.025 . 503 387 48 MET CG C 31.977 0.010 . 504 387 48 MET CE C 17.537 0.000 . 505 387 48 MET N N 121.071 0.018 . 506 388 49 GLN H H 8.399 0.002 . 507 388 49 GLN HA H 4.039 0.002 . 508 388 49 GLN HB2 H 2.107 0.000 . 509 388 49 GLN HB3 H 2.008 0.000 . 510 388 49 GLN HG2 H 2.535 0.001 . 511 388 49 GLN HG3 H 2.473 0.003 . 512 388 49 GLN HE21 H 7.594 0.000 . 513 388 49 GLN HE22 H 6.746 0.000 . 514 388 49 GLN C C 179.270 0.001 . 515 388 49 GLN CA C 59.574 0.046 . 516 388 49 GLN CB C 27.996 0.050 . 517 388 49 GLN CG C 34.584 0.034 . 518 388 49 GLN N N 116.730 0.004 . 519 388 49 GLN NE2 N 109.713 0.000 . 520 389 50 GLN H H 7.628 0.003 . 521 389 50 GLN HA H 4.151 0.000 . 522 389 50 GLN HB2 H 2.453 0.000 . 523 389 50 GLN HB3 H 1.744 0.000 . 524 389 50 GLN HG2 H 2.543 0.000 . 525 389 50 GLN HG3 H 2.447 0.000 . 526 389 50 GLN C C 178.622 0.005 . 527 389 50 GLN CA C 58.374 0.048 . 528 389 50 GLN CB C 28.622 0.042 . 529 389 50 GLN CG C 34.334 0.029 . 530 389 50 GLN N N 118.435 0.011 . 531 390 51 ALA H H 8.528 0.003 . 532 390 51 ALA HA H 3.779 0.000 . 533 390 51 ALA HB H 1.388 0.002 . 534 390 51 ALA C C 178.878 0.000 . 535 390 51 ALA CA C 55.354 0.011 . 536 390 51 ALA CB C 18.473 0.025 . 537 390 51 ALA N N 121.331 0.029 . 538 391 52 GLN H H 7.947 0.001 . 539 391 52 GLN HA H 3.946 0.004 . 540 391 52 GLN HB2 H 2.200 0.000 . 541 391 52 GLN HB3 H 2.106 0.000 . 542 391 52 GLN HG2 H 2.544 0.000 . 543 391 52 GLN HG3 H 2.391 0.000 . 544 391 52 GLN HE21 H 7.305 0.000 . 545 391 52 GLN HE22 H 6.792 0.000 . 546 391 52 GLN C C 177.495 0.000 . 547 391 52 GLN CA C 58.501 0.000 . 548 391 52 GLN CB C 28.733 0.018 . 549 391 52 GLN CG C 34.301 0.046 . 550 391 52 GLN N N 113.910 0.008 . 551 391 52 GLN NE2 N 111.251 0.009 . 552 392 53 LYS H H 7.482 0.002 . 553 392 53 LYS HA H 4.227 0.000 . 554 392 53 LYS HB2 H 1.761 0.000 . 555 392 53 LYS HB3 H 1.761 0.000 . 556 392 53 LYS HG2 H 1.439 0.000 . 557 392 53 LYS HG3 H 1.279 0.010 . 558 392 53 LYS C C 177.012 0.002 . 559 392 53 LYS CA C 57.388 0.005 . 560 392 53 LYS CB C 32.666 0.072 . 561 392 53 LYS CG C 25.223 0.018 . 562 392 53 LYS CD C 29.132 0.000 . 563 392 53 LYS CE C 42.010 0.000 . 564 392 53 LYS N N 117.041 0.015 . 565 393 54 HIS H H 7.859 0.002 . 566 393 54 HIS HA H 4.866 0.000 . 567 393 54 HIS HB2 H 3.317 0.000 . 568 393 54 HIS HB3 H 2.569 0.000 . 569 393 54 HIS HD2 H 7.838 0.000 . 570 393 54 HIS HE1 H 7.380 0.003 . 571 393 54 HIS C C 175.945 0.005 . 572 393 54 HIS CA C 55.916 0.005 . 573 393 54 HIS CB C 29.911 0.021 . 574 393 54 HIS N N 120.003 0.015 . 575 394 55 THR H H 7.468 0.002 . 576 394 55 THR HA H 3.853 0.000 . 577 394 55 THR HB H 4.191 0.000 . 578 394 55 THR HG2 H 1.259 0.000 . 579 394 55 THR C C 177.399 0.001 . 580 394 55 THR CA C 65.832 0.025 . 581 394 55 THR CB C 68.612 0.041 . 582 394 55 THR CG2 C 22.184 0.018 . 583 394 55 THR N N 113.014 0.019 . 584 395 56 GLU H H 8.907 0.002 . 585 395 56 GLU HA H 4.140 0.000 . 586 395 56 GLU HB2 H 2.125 0.002 . 587 395 56 GLU HB3 H 1.823 0.000 . 588 395 56 GLU HG2 H 2.450 0.000 . 589 395 56 GLU HG3 H 2.389 0.000 . 590 395 56 GLU C C 178.295 0.005 . 591 395 56 GLU CA C 59.708 0.000 . 592 395 56 GLU CB C 28.689 0.042 . 593 395 56 GLU CG C 36.643 0.006 . 594 395 56 GLU N N 122.465 0.019 . 595 396 57 MET H H 7.835 0.002 . 596 396 57 MET HA H 3.087 0.003 . 597 396 57 MET HB2 H 2.136 0.000 . 598 396 57 MET HB3 H 1.529 0.003 . 599 396 57 MET HG2 H 2.056 0.000 . 600 396 57 MET HG3 H 1.974 0.000 . 601 396 57 MET HE H 1.704 0.000 . 602 396 57 MET C C 177.331 0.001 . 603 396 57 MET CA C 58.230 0.050 . 604 396 57 MET CB C 32.638 0.059 . 605 396 57 MET CG C 31.445 0.040 . 606 396 57 MET CE C 17.082 0.000 . 607 396 57 MET N N 120.220 0.012 . 608 397 58 ILE H H 7.400 0.003 . 609 397 58 ILE HA H 3.567 0.002 . 610 397 58 ILE HB H 2.090 0.003 . 611 397 58 ILE HG12 H 1.551 0.003 . 612 397 58 ILE HG13 H 0.865 0.000 . 613 397 58 ILE HG2 H 1.071 0.000 . 614 397 58 ILE HD1 H 0.677 0.000 . 615 397 58 ILE C C 177.585 0.005 . 616 397 58 ILE CA C 65.475 0.063 . 617 397 58 ILE CB C 36.975 0.063 . 618 397 58 ILE CG1 C 29.287 0.036 . 619 397 58 ILE CG2 C 18.237 0.013 . 620 397 58 ILE CD1 C 13.121 0.000 . 621 397 58 ILE N N 119.273 0.021 . 622 398 59 THR H H 7.944 0.003 . 623 398 59 THR HA H 4.422 0.000 . 624 398 59 THR HB H 3.952 0.000 . 625 398 59 THR HG2 H 1.287 0.000 . 626 398 59 THR C C 176.633 0.000 . 627 398 59 THR CA C 68.323 0.028 . 628 398 59 THR CB C 66.999 0.092 . 629 398 59 THR CG2 C 22.546 0.023 . 630 398 59 THR N N 117.454 0.034 . 631 399 60 THR H H 8.254 0.004 . 632 399 60 THR HA H 4.475 0.000 . 633 399 60 THR HB H 3.864 0.000 . 634 399 60 THR HG2 H 1.196 0.000 . 635 399 60 THR C C 175.951 0.000 . 636 399 60 THR CA C 66.955 0.110 . 637 399 60 THR CB C 67.125 0.000 . 638 399 60 THR CG2 C 23.303 0.021 . 639 399 60 THR N N 121.520 0.036 . 640 400 61 LEU H H 8.108 0.003 . 641 400 61 LEU HA H 3.926 0.000 . 642 400 61 LEU HB2 H 2.328 0.001 . 643 400 61 LEU HB3 H 1.475 0.000 . 644 400 61 LEU HG H 1.984 0.003 . 645 400 61 LEU HD1 H 0.802 0.000 . 646 400 61 LEU HD2 H 0.886 0.002 . 647 400 61 LEU C C 177.602 0.005 . 648 400 61 LEU CA C 58.200 0.047 . 649 400 61 LEU CB C 42.139 0.041 . 650 400 61 LEU CG C 26.522 0.002 . 651 400 61 LEU CD1 C 22.801 0.000 . 652 400 61 LEU CD2 C 26.286 0.000 . 653 400 61 LEU N N 119.496 0.011 . 654 401 62 LYS H H 8.018 0.002 . 655 401 62 LYS HA H 3.006 0.000 . 656 401 62 LYS HB2 H 1.988 0.001 . 657 401 62 LYS HB3 H 1.642 0.000 . 658 401 62 LYS HG2 H 1.079 0.000 . 659 401 62 LYS HG3 H 0.616 0.002 . 660 401 62 LYS HE2 H 3.009 0.000 . 661 401 62 LYS HE3 H 2.884 0.000 . 662 401 62 LYS C C 179.583 0.005 . 663 401 62 LYS CA C 59.370 0.000 . 664 401 62 LYS CB C 32.979 0.114 . 665 401 62 LYS CG C 25.539 0.039 . 666 401 62 LYS CE C 42.309 0.000 . 667 401 62 LYS N N 117.110 0.009 . 668 402 63 LYS H H 7.801 0.005 . 669 402 63 LYS HA H 4.050 0.000 . 670 402 63 LYS HB2 H 2.028 0.000 . 671 402 63 LYS HB3 H 1.975 0.000 . 672 402 63 LYS HG2 H 1.672 0.000 . 673 402 63 LYS HG3 H 1.455 0.001 . 674 402 63 LYS HD2 H 1.705 0.000 . 675 402 63 LYS HD3 H 1.705 0.000 . 676 402 63 LYS HE2 H 2.961 0.003 . 677 402 63 LYS HE3 H 2.961 0.003 . 678 402 63 LYS C C 179.731 0.000 . 679 402 63 LYS CA C 59.224 0.041 . 680 402 63 LYS CB C 33.000 0.014 . 681 402 63 LYS CG C 25.539 0.081 . 682 402 63 LYS CD C 29.345 0.000 . 683 402 63 LYS CE C 42.156 0.000 . 684 402 63 LYS N N 117.889 0.021 . 685 403 64 ILE H H 7.931 0.003 . 686 403 64 ILE HA H 4.007 0.000 . 687 403 64 ILE HB H 1.970 0.006 . 688 403 64 ILE HG12 H 1.643 0.000 . 689 403 64 ILE HG13 H 1.438 0.000 . 690 403 64 ILE HG2 H 0.803 0.000 . 691 403 64 ILE HD1 H 0.676 0.000 . 692 403 64 ILE C C 176.039 0.000 . 693 403 64 ILE CA C 64.505 0.053 . 694 403 64 ILE CB C 37.006 0.145 . 695 403 64 ILE CG1 C 26.204 0.027 . 696 403 64 ILE CG2 C 17.471 0.000 . 697 403 64 ILE CD1 C 14.482 0.000 . 698 403 64 ILE N N 115.298 0.030 . 699 404 65 ARG H H 7.142 0.003 . 700 404 65 ARG HA H 4.254 0.000 . 701 404 65 ARG HB2 H 1.832 0.000 . 702 404 65 ARG HB3 H 1.832 0.000 . 703 404 65 ARG HG2 H 2.014 0.000 . 704 404 65 ARG HG3 H 1.654 0.000 . 705 404 65 ARG HD2 H 3.142 0.000 . 706 404 65 ARG HD3 H 3.069 0.000 . 707 404 65 ARG C C 176.581 0.000 . 708 404 65 ARG CA C 58.600 0.047 . 709 404 65 ARG CB C 30.479 0.082 . 710 404 65 ARG CG C 25.617 0.022 . 711 404 65 ARG CD C 44.202 0.012 . 712 404 65 ARG N N 118.087 0.020 . 713 405 66 ARG H H 7.301 0.004 . 714 405 66 ARG HA H 4.436 0.000 . 715 405 66 ARG HB2 H 2.081 0.000 . 716 405 66 ARG HB3 H 1.726 0.002 . 717 405 66 ARG HG2 H 1.630 0.000 . 718 405 66 ARG HG3 H 1.557 0.000 . 719 405 66 ARG HD2 H 3.174 0.000 . 720 405 66 ARG HD3 H 3.174 0.000 . 721 405 66 ARG C C 176.452 0.000 . 722 405 66 ARG CA C 54.730 0.022 . 723 405 66 ARG CB C 29.660 0.061 . 724 405 66 ARG CG C 27.205 0.057 . 725 405 66 ARG CD C 43.202 0.000 . 726 405 66 ARG N N 113.509 0.016 . 727 406 67 PHE H H 7.640 0.003 . 728 406 67 PHE HA H 4.670 0.000 . 729 406 67 PHE HB2 H 3.112 0.000 . 730 406 67 PHE HB3 H 3.256 0.005 . 731 406 67 PHE HD1 H 7.351 0.000 . 732 406 67 PHE HD2 H 7.351 0.000 . 733 406 67 PHE HE1 H 7.257 0.000 . 734 406 67 PHE HE2 H 7.257 0.000 . 735 406 67 PHE C C 174.485 0.005 . 736 406 67 PHE CA C 57.734 0.051 . 737 406 67 PHE CB C 38.741 0.073 . 738 406 67 PHE CD1 C 132.075 0.000 . 739 406 67 PHE CE1 C 129.832 0.000 . 740 406 67 PHE N N 121.880 0.004 . 741 407 68 LYS H H 8.004 0.005 . 742 407 68 LYS HA H 4.277 0.004 . 743 407 68 LYS HB2 H 1.821 0.000 . 744 407 68 LYS HB3 H 1.735 0.000 . 745 407 68 LYS HG2 H 1.422 0.005 . 746 407 68 LYS HG3 H 1.422 0.005 . 747 407 68 LYS HD2 H 1.693 0.000 . 748 407 68 LYS HD3 H 1.693 0.000 . 749 407 68 LYS HE2 H 2.997 0.000 . 750 407 68 LYS HE3 H 2.997 0.000 . 751 407 68 LYS C C 176.572 0.003 . 752 407 68 LYS CA C 57.687 0.119 . 753 407 68 LYS CB C 31.919 0.088 . 754 407 68 LYS CG C 24.767 0.062 . 755 407 68 LYS CD C 29.172 0.000 . 756 407 68 LYS N N 123.939 0.024 . 757 408 69 VAL H H 6.838 0.007 . 758 408 69 VAL HA H 3.941 0.000 . 759 408 69 VAL HB H 1.578 0.004 . 760 408 69 VAL HG1 H 0.745 0.000 . 761 408 69 VAL HG2 H 0.832 0.000 . 762 408 69 VAL C C 175.457 0.008 . 763 408 69 VAL CA C 62.546 0.040 . 764 408 69 VAL CB C 32.739 0.042 . 765 408 69 VAL CG1 C 20.909 0.049 . 766 408 69 VAL CG2 C 21.306 0.000 . 767 408 69 VAL N N 115.321 0.019 . 768 409 70 SER H H 7.501 0.004 . 769 409 70 SER HA H 4.268 0.000 . 770 409 70 SER HB2 H 4.008 0.000 . 771 409 70 SER HB3 H 3.813 0.000 . 772 409 70 SER C C 174.138 0.000 . 773 409 70 SER CA C 56.513 0.000 . 774 409 70 SER CB C 64.592 0.029 . 775 409 70 SER N N 112.241 0.031 . 776 410 71 GLN HA H 4.119 0.000 . 777 410 71 GLN HB2 H 2.216 0.000 . 778 410 71 GLN HB3 H 2.103 0.000 . 779 410 71 GLN HG2 H 2.487 0.000 . 780 410 71 GLN HG3 H 2.487 0.000 . 781 410 71 GLN C C 177.685 0.008 . 782 410 71 GLN CA C 59.104 0.003 . 783 410 71 GLN CB C 28.131 0.080 . 784 410 71 GLN CG C 33.388 0.013 . 785 411 72 VAL H H 7.797 0.002 . 786 411 72 VAL HA H 3.920 0.000 . 787 411 72 VAL HB H 1.872 0.003 . 788 411 72 VAL HG1 H 1.086 0.000 . 789 411 72 VAL HG2 H 0.992 0.000 . 790 411 72 VAL C C 178.332 0.001 . 791 411 72 VAL CA C 66.089 0.010 . 792 411 72 VAL CB C 31.795 0.206 . 793 411 72 VAL CG1 C 21.904 0.214 . 794 411 72 VAL CG2 C 21.676 0.000 . 795 411 72 VAL N N 118.049 0.029 . 796 412 73 ILE H H 7.577 0.003 . 797 412 73 ILE HA H 3.500 0.013 . 798 412 73 ILE HB H 2.071 0.000 . 799 412 73 ILE HG12 H 1.835 0.000 . 800 412 73 ILE HG13 H 0.958 0.000 . 801 412 73 ILE HG2 H 0.927 0.000 . 802 412 73 ILE HD1 H 1.165 0.000 . 803 412 73 ILE C C 179.339 0.002 . 804 412 73 ILE CA C 66.159 0.002 . 805 412 73 ILE CB C 37.650 0.112 . 806 412 73 ILE CG1 C 30.546 0.000 . 807 412 73 ILE CG2 C 17.172 0.007 . 808 412 73 ILE CD1 C 14.191 0.000 . 809 412 73 ILE N N 120.047 0.015 . 810 413 74 MET H H 8.203 0.003 . 811 413 74 MET HA H 4.066 0.000 . 812 413 74 MET HB2 H 2.244 0.001 . 813 413 74 MET HB3 H 2.347 0.000 . 814 413 74 MET HG2 H 2.871 0.000 . 815 413 74 MET HG3 H 2.336 0.000 . 816 413 74 MET HE H 2.108 0.000 . 817 413 74 MET C C 178.912 0.000 . 818 413 74 MET CA C 60.695 0.063 . 819 413 74 MET CB C 33.175 0.174 . 820 413 74 MET CG C 32.086 0.016 . 821 413 74 MET CE C 16.795 0.000 . 822 413 74 MET N N 121.594 0.025 . 823 414 75 GLU H H 8.661 0.006 . 824 414 75 GLU HA H 4.090 0.000 . 825 414 75 GLU HB2 H 2.270 0.000 . 826 414 75 GLU HB3 H 2.147 0.000 . 827 414 75 GLU HG2 H 2.545 0.000 . 828 414 75 GLU HG3 H 2.335 0.000 . 829 414 75 GLU C C 179.963 0.000 . 830 414 75 GLU CA C 60.015 0.006 . 831 414 75 GLU CB C 29.885 0.000 . 832 414 75 GLU CG C 36.543 0.046 . 833 414 75 GLU N N 121.396 0.030 . 834 415 76 LYS H H 8.717 0.002 . 835 415 76 LYS HA H 4.195 0.007 . 836 415 76 LYS HB2 H 1.826 0.000 . 837 415 76 LYS HB3 H 1.826 0.000 . 838 415 76 LYS HG2 H 1.750 0.000 . 839 415 76 LYS HG3 H 1.600 0.000 . 840 415 76 LYS HD2 H 1.665 0.000 . 841 415 76 LYS HD3 H 1.408 0.000 . 842 415 76 LYS HE2 H 3.020 0.000 . 843 415 76 LYS HE3 H 2.890 0.000 . 844 415 76 LYS C C 179.686 0.000 . 845 415 76 LYS CA C 60.342 0.039 . 846 415 76 LYS CB C 34.157 0.063 . 847 415 76 LYS CG C 27.179 0.062 . 848 415 76 LYS CD C 29.394 0.054 . 849 415 76 LYS CE C 42.153 0.033 . 850 415 76 LYS N N 119.853 0.010 . 851 416 77 SER H H 8.755 0.002 . 852 416 77 SER HA H 4.288 0.000 . 853 416 77 SER HB2 H 3.960 0.000 . 854 416 77 SER HB3 H 3.810 0.000 . 855 416 77 SER C C 176.556 0.000 . 856 416 77 SER CA C 63.288 0.000 . 857 416 77 SER N N 114.164 0.022 . 858 417 78 THR H H 8.004 0.003 . 859 417 78 THR HA H 4.447 0.000 . 860 417 78 THR HB H 3.843 0.000 . 861 417 78 THR HG1 H 5.617 0.000 . 862 417 78 THR HG2 H 1.340 0.000 . 863 417 78 THR C C 175.542 0.000 . 864 417 78 THR CA C 68.200 0.015 . 865 417 78 THR CB C 68.734 0.076 . 866 417 78 THR CG2 C 21.188 0.014 . 867 417 78 THR N N 121.021 0.005 . 868 418 79 MET H H 7.828 0.004 . 869 418 79 MET HA H 4.201 0.000 . 870 418 79 MET HB2 H 2.295 0.000 . 871 418 79 MET HB3 H 2.295 0.000 . 872 418 79 MET HG2 H 2.830 0.000 . 873 418 79 MET HG3 H 2.618 0.000 . 874 418 79 MET HE H 2.142 0.000 . 875 418 79 MET C C 179.637 0.002 . 876 418 79 MET CA C 59.385 0.037 . 877 418 79 MET CB C 31.875 0.211 . 878 418 79 MET CG C 32.059 0.022 . 879 418 79 MET CE C 17.192 0.000 . 880 418 79 MET N N 120.926 0.024 . 881 419 80 LEU H H 8.102 0.003 . 882 419 80 LEU HA H 3.986 0.000 . 883 419 80 LEU HB2 H 1.997 0.000 . 884 419 80 LEU HB3 H 1.389 0.000 . 885 419 80 LEU HG H 1.944 0.000 . 886 419 80 LEU HD1 H 0.852 0.000 . 887 419 80 LEU HD2 H 1.030 0.000 . 888 419 80 LEU C C 177.701 0.000 . 889 419 80 LEU CA C 57.808 0.046 . 890 419 80 LEU CB C 43.599 0.086 . 891 419 80 LEU CG C 27.337 0.000 . 892 419 80 LEU CD1 C 23.219 0.000 . 893 419 80 LEU CD2 C 27.066 0.000 . 894 419 80 LEU N N 120.473 0.011 . 895 420 81 TYR H H 9.117 0.001 . 896 420 81 TYR HA H 4.066 0.000 . 897 420 81 TYR HB2 H 3.048 0.000 . 898 420 81 TYR HB3 H 3.048 0.000 . 899 420 81 TYR HD1 H 7.161 0.004 . 900 420 81 TYR HD2 H 7.161 0.004 . 901 420 81 TYR HE1 H 6.776 0.000 . 902 420 81 TYR HE2 H 6.776 0.000 . 903 420 81 TYR C C 176.531 0.000 . 904 420 81 TYR CA C 62.790 0.055 . 905 420 81 TYR CB C 38.273 0.061 . 906 420 81 TYR CD1 C 133.101 0.000 . 907 420 81 TYR CE1 C 118.151 0.000 . 908 420 81 TYR N N 120.385 0.010 . 909 421 82 ASN H H 8.246 0.003 . 910 421 82 ASN HA H 4.137 0.000 . 911 421 82 ASN HB2 H 2.917 0.000 . 912 421 82 ASN HB3 H 2.733 0.000 . 913 421 82 ASN HD21 H 7.592 0.000 . 914 421 82 ASN HD22 H 7.018 0.000 . 915 421 82 ASN C C 177.109 0.000 . 916 421 82 ASN CA C 55.980 0.032 . 917 421 82 ASN CB C 37.634 0.109 . 918 421 82 ASN N N 115.862 0.014 . 919 421 82 ASN ND2 N 111.944 0.036 . 920 422 83 LYS H H 7.781 0.002 . 921 422 83 LYS HA H 3.925 0.001 . 922 422 83 LYS HB2 H 1.730 0.000 . 923 422 83 LYS HB3 H 1.787 0.000 . 924 422 83 LYS HG2 H 1.338 0.000 . 925 422 83 LYS HG3 H 0.865 0.001 . 926 422 83 LYS HD2 H 1.521 0.000 . 927 422 83 LYS HD3 H 1.338 0.000 . 928 422 83 LYS HE2 H 2.768 0.001 . 929 422 83 LYS HE3 H 2.768 0.001 . 930 422 83 LYS C C 179.101 0.000 . 931 422 83 LYS CA C 59.555 0.051 . 932 422 83 LYS CB C 32.439 0.100 . 933 422 83 LYS CG C 24.945 0.002 . 934 422 83 LYS CD C 29.980 0.009 . 935 422 83 LYS CE C 42.062 0.000 . 936 422 83 LYS N N 120.482 0.013 . 937 423 84 PHE H H 7.988 0.004 . 938 423 84 PHE HA H 4.378 0.000 . 939 423 84 PHE HB2 H 2.826 0.000 . 940 423 84 PHE HB3 H 3.009 0.000 . 941 423 84 PHE HD1 H 7.253 0.000 . 942 423 84 PHE HD2 H 7.253 0.000 . 943 423 84 PHE HE1 H 7.061 0.000 . 944 423 84 PHE HE2 H 7.061 0.000 . 945 423 84 PHE HZ H 7.103 0.000 . 946 423 84 PHE C C 177.724 0.000 . 947 423 84 PHE CA C 60.716 0.037 . 948 423 84 PHE CB C 39.026 0.065 . 949 423 84 PHE CD1 C 131.586 0.000 . 950 423 84 PHE CE1 C 130.115 0.000 . 951 423 84 PHE CZ C 128.914 0.000 . 952 423 84 PHE N N 117.019 0.025 . 953 424 85 LYS H H 8.667 0.003 . 954 424 85 LYS HA H 3.897 0.000 . 955 424 85 LYS HB2 H 1.456 0.000 . 956 424 85 LYS HB3 H 1.423 0.000 . 957 424 85 LYS HG2 H 1.248 0.000 . 958 424 85 LYS HG3 H 1.248 0.000 . 959 424 85 LYS HD2 H 1.626 0.000 . 960 424 85 LYS HD3 H 1.515 0.006 . 961 424 85 LYS HE2 H 2.973 0.002 . 962 424 85 LYS HE3 H 2.973 0.002 . 963 424 85 LYS C C 178.785 0.000 . 964 424 85 LYS CA C 59.221 0.047 . 965 424 85 LYS CB C 31.199 0.074 . 966 424 85 LYS CG C 23.981 0.020 . 967 424 85 LYS CD C 29.144 0.003 . 968 424 85 LYS CE C 42.229 0.000 . 969 424 85 LYS N N 119.834 0.012 . 970 425 86 ASN H H 7.935 0.002 . 971 425 86 ASN HA H 4.566 0.000 . 972 425 86 ASN HB2 H 2.794 0.004 . 973 425 86 ASN HB3 H 2.794 0.004 . 974 425 86 ASN HD21 H 7.482 0.000 . 975 425 86 ASN HD22 H 6.873 0.003 . 976 425 86 ASN C C 176.813 0.000 . 977 425 86 ASN CA C 55.001 0.050 . 978 425 86 ASN CB C 38.193 0.074 . 979 425 86 ASN N N 116.019 0.019 . 980 425 86 ASN ND2 N 112.219 0.051 . 981 426 87 MET H H 7.690 0.003 . 982 426 87 MET HA H 4.135 0.000 . 983 426 87 MET HB2 H 2.024 0.000 . 984 426 87 MET HB3 H 1.826 0.000 . 985 426 87 MET HG2 H 2.618 0.000 . 986 426 87 MET HG3 H 2.392 0.000 . 987 426 87 MET HE H 1.869 0.000 . 988 426 87 MET C C 176.457 0.000 . 989 426 87 MET CA C 58.151 0.029 . 990 426 87 MET CB C 33.098 0.002 . 991 426 87 MET CG C 32.119 0.032 . 992 426 87 MET CE C 17.144 0.000 . 993 426 87 MET N N 118.383 0.005 . 994 427 88 PHE H H 7.555 0.004 . 995 427 88 PHE HA H 4.601 0.000 . 996 427 88 PHE HB2 H 2.989 0.000 . 997 427 88 PHE HB3 H 3.310 0.000 . 998 427 88 PHE HD1 H 7.339 0.007 . 999 427 88 PHE HD2 H 7.339 0.007 . 1000 427 88 PHE HE1 H 7.219 0.000 . 1001 427 88 PHE HZ H 7.066 0.000 . 1002 427 88 PHE C C 175.845 0.000 . 1003 427 88 PHE CA C 58.011 0.034 . 1004 427 88 PHE CB C 39.257 0.006 . 1005 427 88 PHE CD1 C 131.725 0.000 . 1006 427 88 PHE CE1 C 131.083 0.000 . 1007 427 88 PHE CZ C 129.228 0.000 . 1008 427 88 PHE N N 115.788 0.015 . 1009 428 89 LEU H H 7.799 0.003 . 1010 428 89 LEU HA H 4.393 0.000 . 1011 428 89 LEU HB2 H 1.754 0.000 . 1012 428 89 LEU HB3 H 1.617 0.000 . 1013 428 89 LEU HG H 1.681 0.000 . 1014 428 89 LEU HD1 H 0.936 0.000 . 1015 428 89 LEU HD2 H 0.894 0.000 . 1016 428 89 LEU C C 177.464 0.000 . 1017 428 89 LEU CA C 55.727 0.004 . 1018 428 89 LEU CB C 42.201 0.001 . 1019 428 89 LEU CG C 26.882 0.008 . 1020 428 89 LEU CD1 C 25.152 0.087 . 1021 428 89 LEU CD2 C 23.466 0.018 . 1022 428 89 LEU N N 120.910 0.009 . 1023 429 90 VAL H H 7.961 0.002 . 1024 429 90 VAL HA H 4.129 0.000 . 1025 429 90 VAL HB H 2.124 0.000 . 1026 429 90 VAL HG1 H 0.975 0.000 . 1027 429 90 VAL HG2 H 0.975 0.000 . 1028 429 90 VAL C C 176.856 0.000 . 1029 429 90 VAL CA C 62.736 0.004 . 1030 429 90 VAL CB C 32.735 0.001 . 1031 429 90 VAL CG1 C 20.973 0.164 . 1032 429 90 VAL N N 119.305 0.036 . 1033 430 91 GLY H H 8.377 0.003 . 1034 430 91 GLY HA2 H 4.020 0.000 . 1035 430 91 GLY HA3 H 3.973 0.000 . 1036 430 91 GLY C C 174.148 0.000 . 1037 430 91 GLY CA C 45.338 0.002 . 1038 430 91 GLY N N 111.818 0.018 . 1039 431 92 GLU H H 8.320 0.002 . 1040 431 92 GLU HA H 4.330 0.003 . 1041 431 92 GLU HB2 H 2.109 0.005 . 1042 431 92 GLU HB3 H 1.964 0.002 . 1043 431 92 GLU HG2 H 2.297 0.000 . 1044 431 92 GLU HG3 H 2.255 0.000 . 1045 431 92 GLU C C 177.159 0.000 . 1046 431 92 GLU CA C 56.784 0.001 . 1047 431 92 GLU CB C 30.487 0.035 . 1048 431 92 GLU CG C 36.365 0.020 . 1049 431 92 GLU N N 120.558 0.002 . 1050 432 93 GLY H H 8.471 0.001 . 1051 432 93 GLY HA2 H 4.266 0.000 . 1052 432 93 GLY HA3 H 3.975 0.000 . 1053 432 93 GLY C C 174.073 0.003 . 1054 432 93 GLY CA C 45.473 0.043 . 1055 432 93 GLY N N 109.824 0.011 . 1056 433 94 ASP H H 8.252 0.001 . 1057 433 94 ASP HA H 4.646 0.000 . 1058 433 94 ASP HB2 H 2.689 0.000 . 1059 433 94 ASP HB3 H 2.662 0.000 . 1060 433 94 ASP C C 176.520 0.001 . 1061 433 94 ASP CA C 54.561 0.006 . 1062 433 94 ASP CB C 41.377 0.004 . 1063 433 94 ASP N N 120.559 0.006 . 1064 434 95 SER H H 8.271 0.001 . 1065 434 95 SER HA H 4.466 0.000 . 1066 434 95 SER HB2 H 3.914 0.000 . 1067 434 95 SER HB3 H 3.885 0.000 . 1068 434 95 SER C C 174.704 0.000 . 1069 434 95 SER CA C 58.686 0.006 . 1070 434 95 SER CB C 63.904 0.001 . 1071 434 95 SER N N 115.947 0.009 . 1072 435 96 VAL H H 8.143 0.008 . 1073 435 96 VAL HA H 4.103 0.000 . 1074 435 96 VAL HB H 2.097 0.000 . 1075 435 96 VAL HG1 H 0.917 0.000 . 1076 435 96 VAL HG2 H 0.951 0.000 . 1077 435 96 VAL C C 176.497 0.000 . 1078 435 96 VAL CA C 63.046 0.015 . 1079 435 96 VAL CB C 32.481 0.003 . 1080 435 96 VAL CG1 C 21.117 0.065 . 1081 435 96 VAL CG2 C 20.878 0.000 . 1082 435 96 VAL N N 121.769 0.034 . 1083 436 97 ILE H H 8.174 0.003 . 1084 436 97 ILE HA H 4.181 0.002 . 1085 436 97 ILE HB H 1.886 0.000 . 1086 436 97 ILE HG12 H 1.485 0.000 . 1087 436 97 ILE HG13 H 1.226 0.000 . 1088 436 97 ILE HG2 H 0.906 0.000 . 1089 436 97 ILE HD1 H 0.850 0.000 . 1090 436 97 ILE C C 176.637 0.000 . 1091 436 97 ILE CA C 61.563 0.005 . 1092 436 97 ILE CB C 38.393 0.004 . 1093 436 97 ILE CG1 C 27.583 0.017 . 1094 436 97 ILE CG2 C 17.619 0.044 . 1095 436 97 ILE CD1 C 12.817 0.020 . 1096 436 97 ILE N N 123.652 0.011 . 1097 437 98 THR H H 8.107 0.002 . 1098 437 98 THR HA H 4.249 0.000 . 1099 437 98 THR HB H 4.202 0.005 . 1100 437 98 THR HG2 H 1.208 0.000 . 1101 437 98 THR C C 174.625 0.000 . 1102 437 98 THR CA C 62.634 0.017 . 1103 437 98 THR CB C 69.611 0.006 . 1104 437 98 THR CG2 C 21.814 0.002 . 1105 437 98 THR N N 117.977 0.012 . 1106 438 99 GLN H H 8.267 0.002 . 1107 438 99 GLN HA H 4.342 0.000 . 1108 438 99 GLN HB2 H 2.097 0.000 . 1109 438 99 GLN HB3 H 2.015 0.000 . 1110 438 99 GLN HG2 H 2.405 0.000 . 1111 438 99 GLN HG3 H 2.405 0.000 . 1112 438 99 GLN C C 176.136 0.000 . 1113 438 99 GLN CA C 56.375 0.018 . 1114 438 99 GLN CB C 29.436 0.001 . 1115 438 99 GLN CG C 33.884 0.046 . 1116 438 99 GLN N N 122.655 0.011 . 1117 439 100 VAL H H 8.155 0.001 . 1118 439 100 VAL HA H 4.023 0.004 . 1119 439 100 VAL HB H 2.070 0.000 . 1120 439 100 VAL HG1 H 0.924 0.000 . 1121 439 100 VAL HG2 H 0.955 0.000 . 1122 439 100 VAL C C 176.429 0.000 . 1123 439 100 VAL CA C 63.099 0.000 . 1124 439 100 VAL CB C 32.492 0.000 . 1125 439 100 VAL CG1 C 21.156 0.066 . 1126 439 100 VAL CG2 C 20.955 0.000 . 1127 439 100 VAL N N 121.567 0.007 . 1128 440 101 LEU H H 8.273 0.004 . 1129 440 101 LEU HA H 4.333 0.004 . 1130 440 101 LEU HB2 H 1.655 0.000 . 1131 440 101 LEU HB3 H 1.575 0.000 . 1132 440 101 LEU HG H 1.627 0.000 . 1133 440 101 LEU HD1 H 0.910 0.000 . 1134 440 101 LEU HD2 H 0.859 0.000 . 1135 440 101 LEU C C 177.205 0.000 . 1136 440 101 LEU CA C 55.581 0.001 . 1137 440 101 LEU CB C 42.349 0.002 . 1138 440 101 LEU CG C 27.038 0.061 . 1139 440 101 LEU CD1 C 24.933 0.000 . 1140 440 101 LEU CD2 C 23.626 0.000 . 1141 440 101 LEU N N 125.174 0.008 . 1142 441 102 ASN H H 8.363 0.002 . 1143 441 102 ASN HA H 4.657 0.000 . 1144 441 102 ASN HB2 H 2.830 0.000 . 1145 441 102 ASN HB3 H 2.807 0.000 . 1146 441 102 ASN C C 175.639 0.000 . 1147 441 102 ASN CA C 53.552 0.015 . 1148 441 102 ASN CB C 38.701 0.008 . 1149 441 102 ASN N N 119.524 0.004 . 1150 442 103 LYS H H 8.271 0.001 . 1151 442 103 LYS HA H 4.279 0.000 . 1152 442 103 LYS HB2 H 1.873 0.000 . 1153 442 103 LYS HB3 H 1.796 0.000 . 1154 442 103 LYS HE2 H 3.014 0.000 . 1155 442 103 LYS HE3 H 3.014 0.000 . 1156 442 103 LYS C C 177.060 0.000 . 1157 442 103 LYS CA C 57.202 0.045 . 1158 442 103 LYS CB C 33.030 0.008 . 1159 442 103 LYS CG C 24.818 0.000 . 1160 442 103 LYS CD C 29.202 0.000 . 1161 442 103 LYS CE C 42.330 0.000 . 1162 442 103 LYS N N 122.155 0.015 . 1163 443 104 SER H H 8.383 0.001 . 1164 443 104 SER HA H 4.413 0.000 . 1165 443 104 SER HB2 H 3.997 0.000 . 1166 443 104 SER HB3 H 3.938 0.000 . 1167 443 104 SER C C 175.361 0.000 . 1168 443 104 SER CA C 59.152 0.026 . 1169 443 104 SER CB C 63.752 0.000 . 1170 443 104 SER N N 116.704 0.022 . 1171 444 105 LEU H H 8.239 0.001 . 1172 444 105 LEU HA H 4.257 0.000 . 1173 444 105 LEU HB2 H 1.693 0.000 . 1174 444 105 LEU HB3 H 1.611 0.000 . 1175 444 105 LEU HG H 1.675 0.000 . 1176 444 105 LEU HD1 H 0.952 0.000 . 1177 444 105 LEU HD2 H 0.894 0.000 . 1178 444 105 LEU C C 178.156 0.000 . 1179 444 105 LEU CA C 56.365 0.027 . 1180 444 105 LEU CB C 41.980 0.005 . 1181 444 105 LEU CG C 27.068 0.033 . 1182 444 105 LEU CD1 C 24.913 0.072 . 1183 444 105 LEU CD2 C 23.510 0.024 . 1184 444 105 LEU N N 123.681 0.010 . 1185 445 106 ALA H H 8.158 0.001 . 1186 445 106 ALA HA H 4.190 0.000 . 1187 445 106 ALA HB H 1.423 0.003 . 1188 445 106 ALA C C 179.022 0.000 . 1189 445 106 ALA CA C 53.846 0.002 . 1190 445 106 ALA CB C 18.757 0.001 . 1191 445 106 ALA N N 122.882 0.008 . 1192 446 107 GLU H H 8.141 0.004 . 1193 446 107 GLU HA H 4.173 0.005 . 1194 446 107 GLU HB2 H 2.055 0.000 . 1195 446 107 GLU HB3 H 2.055 0.000 . 1196 446 107 GLU HG2 H 2.328 0.000 . 1197 446 107 GLU HG3 H 2.254 0.000 . 1198 446 107 GLU C C 177.521 0.000 . 1199 446 107 GLU CA C 57.663 0.000 . 1200 446 107 GLU CB C 30.091 0.019 . 1201 446 107 GLU CG C 36.617 0.008 . 1202 446 107 GLU N N 119.018 0.004 . 1203 447 108 GLN H H 8.232 0.002 . 1204 447 108 GLN HA H 4.247 0.001 . 1205 447 108 GLN HB2 H 2.161 0.010 . 1206 447 108 GLN HB3 H 2.090 0.003 . 1207 447 108 GLN HG2 H 2.441 0.000 . 1208 447 108 GLN HG3 H 2.379 0.000 . 1209 447 108 GLN C C 176.952 0.002 . 1210 447 108 GLN CA C 57.020 0.036 . 1211 447 108 GLN CB C 29.040 0.035 . 1212 447 108 GLN CG C 33.917 0.020 . 1213 447 108 GLN N N 120.660 0.031 . 1214 448 109 ARG H H 8.254 0.001 . 1215 448 109 ARG HA H 4.291 0.000 . 1216 448 109 ARG HB2 H 1.882 0.000 . 1217 448 109 ARG HB3 H 1.830 0.000 . 1218 448 109 ARG HG2 H 1.701 0.000 . 1219 448 109 ARG HG3 H 1.643 0.000 . 1220 448 109 ARG HD2 H 3.216 0.000 . 1221 448 109 ARG HD3 H 3.216 0.000 . 1222 448 109 ARG C C 177.101 0.003 . 1223 448 109 ARG CA C 57.114 0.044 . 1224 448 109 ARG CB C 30.497 0.033 . 1225 448 109 ARG CG C 27.280 0.011 . 1226 448 109 ARG CD C 43.416 0.016 . 1227 448 109 ARG N N 120.963 0.021 . 1228 449 110 GLN H H 8.248 0.004 . 1229 449 110 GLN HA H 4.247 0.000 . 1230 449 110 GLN HG2 H 2.444 0.000 . 1231 449 110 GLN HG3 H 2.393 0.000 . 1232 449 110 GLN C C 176.725 0.003 . 1233 449 110 GLN CA C 57.016 0.050 . 1234 449 110 GLN CB C 29.007 0.000 . 1235 449 110 GLN CG C 33.870 0.030 . 1236 449 110 GLN N N 120.417 0.034 . 1237 450 111 HIS H H 8.255 0.003 . 1238 450 111 HIS HA H 4.546 0.000 . 1239 450 111 HIS HB2 H 3.194 0.000 . 1240 450 111 HIS HB3 H 3.129 0.000 . 1241 450 111 HIS C C 176.064 0.002 . 1242 450 111 HIS CA C 57.169 0.030 . 1243 450 111 HIS CB C 30.407 0.000 . 1244 450 111 HIS N N 120.240 0.023 . 1245 451 112 GLU H H 8.271 0.002 . 1246 451 112 GLU HA H 4.211 0.000 . 1247 451 112 GLU HB2 H 2.057 0.000 . 1248 451 112 GLU HB3 H 2.016 0.000 . 1249 451 112 GLU HG2 H 2.296 0.000 . 1250 451 112 GLU HG3 H 2.296 0.000 . 1251 451 112 GLU C C 177.380 0.001 . 1252 451 112 GLU CA C 57.359 0.017 . 1253 451 112 GLU CB C 30.080 0.000 . 1254 451 112 GLU CG C 36.320 0.000 . 1255 451 112 GLU N N 121.567 0.016 . 1256 452 113 GLU H H 8.437 0.002 . 1257 452 113 GLU HA H 4.190 0.000 . 1258 452 113 GLU HB2 H 2.073 0.000 . 1259 452 113 GLU HB3 H 1.998 0.000 . 1260 452 113 GLU HG2 H 2.305 0.005 . 1261 452 113 GLU HG3 H 2.305 0.005 . 1262 452 113 GLU C C 177.163 0.002 . 1263 452 113 GLU CA C 57.356 0.011 . 1264 452 113 GLU CB C 30.041 0.030 . 1265 452 113 GLU CG C 36.371 0.055 . 1266 452 113 GLU N N 121.338 0.008 . 1267 453 114 ALA H H 8.203 0.002 . 1268 453 114 ALA HA H 4.248 0.000 . 1269 453 114 ALA HB H 1.418 0.000 . 1270 453 114 ALA C C 178.155 0.000 . 1271 453 114 ALA CA C 53.322 0.035 . 1272 453 114 ALA CB C 18.930 0.004 . 1273 453 114 ALA N N 123.784 0.012 . 1274 454 115 ASN H H 8.210 0.001 . 1275 454 115 ASN HA H 4.655 0.000 . 1276 454 115 ASN HB2 H 2.855 0.000 . 1277 454 115 ASN HB3 H 2.759 0.000 . 1278 454 115 ASN C C 175.622 0.000 . 1279 454 115 ASN CA C 53.631 0.034 . 1280 454 115 ASN CB C 38.732 0.006 . 1281 454 115 ASN N N 116.769 0.001 . 1282 455 116 LYS H H 8.086 0.001 . 1283 455 116 LYS HA H 4.346 0.000 . 1284 455 116 LYS HB2 H 1.907 0.000 . 1285 455 116 LYS HB3 H 1.825 0.000 . 1286 455 116 LYS C C 177.184 0.000 . 1287 455 116 LYS CA C 57.053 0.002 . 1288 455 116 LYS CB C 32.912 0.003 . 1289 455 116 LYS CG C 24.826 0.000 . 1290 455 116 LYS CD C 29.151 0.000 . 1291 455 116 LYS N N 121.242 0.005 . 1292 456 117 THR H H 8.095 0.002 . 1293 456 117 THR HA H 4.323 0.000 . 1294 456 117 THR HB H 4.273 0.000 . 1295 456 117 THR HG2 H 1.237 0.000 . 1296 456 117 THR C C 174.937 0.000 . 1297 456 117 THR CA C 62.354 0.028 . 1298 456 117 THR CB C 69.719 0.018 . 1299 456 117 THR CG2 C 21.768 0.046 . 1300 456 117 THR N N 114.347 0.009 . 1301 457 118 LYS H H 8.230 0.002 . 1302 457 118 LYS HA H 4.298 0.000 . 1303 457 118 LYS HB2 H 1.846 0.000 . 1304 457 118 LYS HB3 H 1.805 0.000 . 1305 457 118 LYS C C 176.502 0.000 . 1306 457 118 LYS CA C 56.819 0.024 . 1307 457 118 LYS CB C 32.898 0.000 . 1308 457 118 LYS CG C 24.674 0.000 . 1309 457 118 LYS CD C 29.181 0.000 . 1310 457 118 LYS N N 123.398 0.013 . 1311 458 119 ASP H H 8.331 0.002 . 1312 458 119 ASP HA H 4.586 0.000 . 1313 458 119 ASP HB2 H 2.737 0.000 . 1314 458 119 ASP HB3 H 2.644 0.000 . 1315 458 119 ASP C C 176.511 0.000 . 1316 458 119 ASP CA C 54.602 0.071 . 1317 458 119 ASP CB C 41.143 0.034 . 1318 458 119 ASP N N 121.110 0.008 . 1319 459 120 GLN H H 8.355 0.002 . 1320 459 120 GLN HA H 4.299 0.009 . 1321 459 120 GLN HB2 H 2.192 0.000 . 1322 459 120 GLN HB3 H 2.010 0.000 . 1323 459 120 GLN HG2 H 2.399 0.000 . 1324 459 120 GLN HG3 H 2.399 0.000 . 1325 459 120 GLN C C 176.770 0.000 . 1326 459 120 GLN CA C 56.373 0.012 . 1327 459 120 GLN CB C 29.218 0.008 . 1328 459 120 GLN CG C 33.918 0.012 . 1329 459 120 GLN N N 120.999 0.005 . 1330 460 121 GLY H H 8.488 0.002 . 1331 460 121 GLY HA2 H 3.950 0.000 . 1332 460 121 GLY HA3 H 3.950 0.000 . 1333 460 121 GLY C C 174.271 0.000 . 1334 460 121 GLY CA C 45.516 0.000 . 1335 460 121 GLY N N 109.499 0.033 . 1336 461 122 LYS H H 8.101 0.001 . 1337 461 122 LYS HA H 4.332 0.000 . 1338 461 122 LYS HB2 H 1.858 0.000 . 1339 461 122 LYS HB3 H 1.760 0.000 . 1340 461 122 LYS C C 176.687 0.000 . 1341 461 122 LYS CA C 56.315 0.045 . 1342 461 122 LYS CB C 32.955 0.073 . 1343 461 122 LYS CG C 24.755 0.000 . 1344 461 122 LYS CD C 29.109 0.000 . 1345 461 122 LYS N N 120.820 0.006 . 1346 462 123 LYS H H 8.362 0.002 . 1347 462 123 LYS HA H 4.389 0.006 . 1348 462 123 LYS HB2 H 1.877 0.000 . 1349 462 123 LYS HB3 H 1.779 0.000 . 1350 462 123 LYS HG2 H 1.458 0.000 . 1351 462 123 LYS HG3 H 1.458 0.000 . 1352 462 123 LYS C C 176.796 0.000 . 1353 462 123 LYS CA C 56.266 0.051 . 1354 462 123 LYS CB C 33.276 0.049 . 1355 462 123 LYS CG C 24.722 0.002 . 1356 462 123 LYS CD C 29.010 0.000 . 1357 462 123 LYS N N 122.551 0.011 . 1358 463 124 GLY H H 8.274 0.002 . 1359 463 124 GLY HA2 H 4.080 0.000 . 1360 463 124 GLY HA3 H 4.171 0.000 . 1361 463 124 GLY C C 171.906 0.000 . 1362 463 124 GLY CA C 44.643 0.045 . 1363 463 124 GLY N N 110.250 0.011 . 1364 464 125 PRO HA H 4.440 0.000 . 1365 464 125 PRO HB2 H 2.284 0.000 . 1366 464 125 PRO HB3 H 1.936 0.000 . 1367 464 125 PRO HG2 H 2.052 0.000 . 1368 464 125 PRO HG3 H 2.008 0.000 . 1369 464 125 PRO HD2 H 3.657 0.000 . 1370 464 125 PRO HD3 H 3.657 0.000 . 1371 464 125 PRO C C 176.993 0.000 . 1372 464 125 PRO CA C 63.300 0.042 . 1373 464 125 PRO CB C 32.146 0.108 . 1374 464 125 PRO CG C 27.128 0.016 . 1375 464 125 PRO CD C 49.830 0.000 . 1376 465 126 ASN H H 8.536 0.003 . 1377 465 126 ASN HA H 4.676 0.000 . 1378 465 126 ASN HB2 H 2.850 0.000 . 1379 465 126 ASN HB3 H 2.758 0.000 . 1380 465 126 ASN C C 174.959 0.000 . 1381 465 126 ASN CA C 53.375 0.035 . 1382 465 126 ASN CB C 38.681 0.000 . 1383 465 126 ASN N N 118.689 0.009 . 1384 466 127 LYS H H 8.168 0.002 . 1385 466 127 LYS HA H 4.340 0.007 . 1386 466 127 LYS HB2 H 1.746 0.000 . 1387 466 127 LYS HB3 H 1.862 0.000 . 1388 466 127 LYS HG2 H 1.456 0.000 . 1389 466 127 LYS HG3 H 1.456 0.000 . 1390 466 127 LYS HD2 H 1.698 0.000 . 1391 466 127 LYS HD3 H 1.698 0.000 . 1392 466 127 LYS C C 175.408 0.000 . 1393 466 127 LYS CA C 56.303 0.048 . 1394 466 127 LYS CB C 33.101 0.071 . 1395 466 127 LYS CG C 24.696 0.102 . 1396 466 127 LYS CD C 29.092 0.054 . 1397 466 127 LYS CE C 42.227 0.000 . 1398 466 127 LYS N N 122.182 0.003 . 1399 467 128 LYS H H 7.997 0.002 . 1400 467 128 LYS HA H 4.159 0.002 . 1401 467 128 LYS HB2 H 1.827 0.000 . 1402 467 128 LYS HB3 H 1.729 0.000 . 1403 467 128 LYS HG2 H 1.416 0.000 . 1404 467 128 LYS HG3 H 1.416 0.000 . 1405 467 128 LYS HD2 H 1.699 0.000 . 1406 467 128 LYS HD3 H 1.699 0.000 . 1407 467 128 LYS C C 173.357 0.000 . 1408 467 128 LYS CA C 57.844 0.040 . 1409 467 128 LYS CB C 33.734 0.040 . 1410 467 128 LYS CG C 24.876 0.024 . 1411 467 128 LYS CD C 29.184 0.031 . 1412 467 128 LYS CE C 42.283 0.031 . 1413 467 128 LYS N N 128.260 0.004 . stop_ save_