data_5576 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sodium/potassium-transporting ATPase alpha-1 chain in complex with ATP ; _BMRB_accession_number 5576 _BMRB_flat_file_name bmr5576.str _Entry_type original _Submission_date 2002-11-06 _Accession_date 2002-11-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hilge M. . . 2 Siegal G. . . 3 Vuister G. W. . 4 Guentert P. . . 5 Gloor S. M. . 6 Abrahams J. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1103 "13C chemical shifts" 649 "15N chemical shifts" 194 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-11-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5577 'ATPase alpha-1 free form' stop_ _Original_release_date 2005-11-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'ATP-induced Conformational Changes of the Nucleotide-binding Domain of Na, K-ATPase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12730684 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hilge M. . . 2 Siegal G. . . 3 Vuister G. W. . 4 Guntert P. . . 5 Gloor S. M. . 6 Abrahams J. P. . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume 10 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 468 _Page_last 474 _Year 2003 _Details . loop_ _Keyword six-stranded 'twisted beta sheet' stop_ save_ ################################## # Molecular system description # ################################## save_system_ATPase_alpha_1 _Saveframe_category molecular_system _Mol_system_name nbd-min001 _Abbreviation_common nbd-min001 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sodium/Potassium-Transporting ATPase alpha-1' $ATPase Adenosine-5'-triphosphate $ATP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state complex _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ATPase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SODIUM/POTASSIUM-TRANSPORTING ATPASE ALPHA-1' _Name_variant 'SODIUM PUMP, NA+/K+ ATPASE 1' _Abbreviation_common ATPase _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 213 _Mol_residue_sequence ; QNPMTVAHMWFDNQIHEADT TENQSGVSFDKTSATWFALS RIAGLCNRAVFQANQENLPI LKRAVAGDASESALLKCIEV CCGSVMEMREKYTKIVEIPF NSTNKYQLSIHKNPNASEPK HLLVMKGAPERILDRCSSIL LHGKEQPLDEELKDAFQNAY LELGGLGERVLGFCHLLLPD EQFPEGFQFDTDEVNFPVDN LCFVGLISMIDPP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 383 GLN 2 384 ASN 3 385 PRO 4 386 MET 5 387 THR 6 388 VAL 7 389 ALA 8 390 HIS 9 391 MET 10 392 TRP 11 393 PHE 12 394 ASP 13 395 ASN 14 396 GLN 15 397 ILE 16 398 HIS 17 399 GLU 18 400 ALA 19 401 ASP 20 402 THR 21 403 THR 22 404 GLU 23 405 ASN 24 406 GLN 25 407 SER 26 408 GLY 27 409 VAL 28 410 SER 29 411 PHE 30 412 ASP 31 413 LYS 32 414 THR 33 415 SER 34 416 ALA 35 417 THR 36 418 TRP 37 419 PHE 38 420 ALA 39 421 LEU 40 422 SER 41 423 ARG 42 424 ILE 43 425 ALA 44 426 GLY 45 427 LEU 46 428 CYS 47 429 ASN 48 430 ARG 49 431 ALA 50 432 VAL 51 433 PHE 52 434 GLN 53 435 ALA 54 436 ASN 55 437 GLN 56 438 GLU 57 439 ASN 58 440 LEU 59 441 PRO 60 442 ILE 61 443 LEU 62 444 LYS 63 445 ARG 64 446 ALA 65 447 VAL 66 448 ALA 67 449 GLY 68 450 ASP 69 451 ALA 70 452 SER 71 453 GLU 72 454 SER 73 455 ALA 74 456 LEU 75 457 LEU 76 458 LYS 77 459 CYS 78 460 ILE 79 461 GLU 80 462 VAL 81 463 CYS 82 464 CYS 83 465 GLY 84 466 SER 85 467 VAL 86 468 MET 87 469 GLU 88 470 MET 89 471 ARG 90 472 GLU 91 473 LYS 92 474 TYR 93 475 THR 94 476 LYS 95 477 ILE 96 478 VAL 97 479 GLU 98 480 ILE 99 481 PRO 100 482 PHE 101 483 ASN 102 484 SER 103 485 THR 104 486 ASN 105 487 LYS 106 488 TYR 107 489 GLN 108 490 LEU 109 491 SER 110 492 ILE 111 493 HIS 112 494 LYS 113 495 ASN 114 496 PRO 115 497 ASN 116 498 ALA 117 499 SER 118 500 GLU 119 501 PRO 120 502 LYS 121 503 HIS 122 504 LEU 123 505 LEU 124 506 VAL 125 507 MET 126 508 LYS 127 509 GLY 128 510 ALA 129 511 PRO 130 512 GLU 131 513 ARG 132 514 ILE 133 515 LEU 134 516 ASP 135 517 ARG 136 518 CYS 137 519 SER 138 520 SER 139 521 ILE 140 522 LEU 141 523 LEU 142 524 HIS 143 525 GLY 144 526 LYS 145 527 GLU 146 528 GLN 147 529 PRO 148 530 LEU 149 531 ASP 150 532 GLU 151 533 GLU 152 534 LEU 153 535 LYS 154 536 ASP 155 537 ALA 156 538 PHE 157 539 GLN 158 540 ASN 159 541 ALA 160 542 TYR 161 543 LEU 162 544 GLU 163 545 LEU 164 546 GLY 165 547 GLY 166 548 LEU 167 549 GLY 168 550 GLU 169 551 ARG 170 552 VAL 171 553 LEU 172 554 GLY 173 555 PHE 174 556 CYS 175 557 HIS 176 558 LEU 177 559 LEU 178 560 LEU 179 561 PRO 180 562 ASP 181 563 GLU 182 564 GLN 183 565 PHE 184 566 PRO 185 567 GLU 186 568 GLY 187 569 PHE 188 570 GLN 189 571 PHE 190 572 ASP 191 573 THR 192 574 ASP 193 575 GLU 194 576 VAL 195 577 ASN 196 578 PHE 197 579 PRO 198 580 VAL 199 581 ASP 200 582 ASN 201 583 LEU 202 584 CYS 203 585 PHE 204 586 VAL 205 587 GLY 206 588 LEU 207 589 ILE 208 590 SER 209 591 MET 210 592 ILE 211 593 ASP 212 594 PRO 213 595 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 5577 ATPase 100.00 213 100.00 100.00 9.27e-157 PDB 1MO7 Atpase 100.00 213 100.00 100.00 9.27e-157 PDB 1MO8 Atpase 100.00 213 100.00 100.00 9.27e-157 DBJ BAE29635 "unnamed protein product [Mus musculus]" 100.00 790 98.59 99.53 7.02e-148 DBJ BAE34957 "unnamed protein product [Mus musculus]" 100.00 1023 98.12 99.53 1.69e-145 EMBL CAA29306 "sodium/potassium-transporting ATPase alpha-1 chain precursor [Rattus norvegicus]" 100.00 1023 99.53 99.53 3.27e-147 GB AAA40775 "(Na+ and K+) ATPase, alpha catalytic subunit precursor [Rattus norvegicus]" 100.00 1023 99.53 99.53 3.27e-147 GB AAA41670 "Na,K-ATPase alpha-1 subunit, partial [Rattus norvegicus]" 81.22 243 98.84 98.84 1.39e-122 GB AAA41671 "Na,K-ATPase alpha-1 subunit [Rattus norvegicus]" 100.00 1023 99.53 99.53 3.60e-147 GB AAH10319 "Atp1a1 protein, partial [Mus musculus]" 100.00 982 98.59 99.53 2.87e-146 GB AAH21496 "ATPase, Na+/K+ transporting, alpha 1 polypeptide [Mus musculus]" 100.00 1023 98.59 99.53 4.18e-146 PRF 1309271A "ATPase alpha1,Na/K" 100.00 1022 99.53 99.53 4.17e-147 REF NP_036636 "sodium/potassium-transporting ATPase subunit alpha-1 precursor [Rattus norvegicus]" 100.00 1023 99.53 99.53 3.27e-147 REF NP_659149 "sodium/potassium-transporting ATPase subunit alpha-1 precursor [Mus musculus]" 100.00 1023 98.59 99.53 4.18e-146 REF XP_005076578 "PREDICTED: sodium/potassium-transporting ATPase subunit alpha-1 isoform X1 [Mesocricetus auratus]" 100.00 1023 97.18 97.65 1.46e-143 REF XP_005076579 "PREDICTED: sodium/potassium-transporting ATPase subunit alpha-1 isoform X2 [Mesocricetus auratus]" 100.00 992 97.18 97.65 9.30e-144 REF XP_005357163 "PREDICTED: sodium/potassium-transporting ATPase subunit alpha-1 [Microtus ochrogaster]" 100.00 1023 98.12 98.59 2.87e-145 SP P06685 "RecName: Full=Sodium/potassium-transporting ATPase subunit alpha-1; Short=Na(+)/K(+) ATPase alpha-1 subunit; AltName: Full=Sodi" 100.00 1023 99.53 99.53 3.27e-147 SP Q8VDN2 "RecName: Full=Sodium/potassium-transporting ATPase subunit alpha-1; Short=Na(+)/K(+) ATPase alpha-1 subunit; AltName: Full=Sodi" 100.00 1023 98.59 99.53 4.18e-146 stop_ save_ ############# # Ligands # ############# save_ATP _Saveframe_category ligand _Mol_type non-polymer _Name_common "ATP (ADENOSINE-5'-TRIPHOSPHATE)" _BMRB_code . _PDB_code ATP _Molecular_mass 507.181 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 13 13:54:12 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PG PG P . 0 . ? O1G O1G O . 0 . ? O2G O2G O . 0 . ? O3G O3G O . 0 . ? PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOG2 HOG2 H . 0 . ? HOG3 HOG3 H . 0 . ? HOB2 HOB2 H . 0 . ? HOA2 HOA2 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? H2 H2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PG O1G ? ? SING PG O2G ? ? SING PG O3G ? ? SING PG O3B ? ? SING O2G HOG2 ? ? SING O3G HOG3 ? ? DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O3A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ATPase Rat 10116 Eukaryota Metazoa Rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $ATPase 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pET23b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ATPase 2 mM '[U-13C; U-15N]' $ATP . mM . Tris-HCl 20 mM . NaN3 0.02 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.0 loop_ _Task processing stop_ _Details 'Delaglio, F. et al.' save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.11 loop_ _Task 'data analysis' stop_ _Details 'Bartels, C. et al.' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.5 loop_ _Task 'structure solution' stop_ _Details http://www.guentert.com save_ save_OPALp _Saveframe_category software _Name OPALp _Version 1.0 loop_ _Task refinement stop_ _Details 'Koradi, R., Billeter, M., Guentert, P.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8.6 . pH temperature 296 . K 'ionic strength' 20 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label . H 1 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $entry_citation $entry_citation . C 13 . ppm . . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Sodium/Potassium-Transporting ATPase alpha-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 . 2 ASN CA C 51.450 0.000 . 2 . 2 ASN HA H 4.936 0.000 . 3 . 2 ASN CB C 38.437 0.000 . 4 . 2 ASN HB2 H 2.644 0.000 . 5 . 2 ASN HB3 H 2.769 0.000 . 6 . 3 PRO CD C 50.479 0.000 . 7 . 3 PRO CA C 63.103 0.000 . 8 . 3 PRO HA H 4.398 0.000 . 9 . 3 PRO CB C 32.232 0.000 . 10 . 3 PRO HB2 H 1.910 0.000 . 11 . 3 PRO HB3 H 2.216 0.000 . 12 . 3 PRO CG C 27.372 0.000 . 13 . 3 PRO HG2 H 1.884 0.000 . 14 . 3 PRO HG3 H 2.004 0.000 . 15 . 3 PRO HD2 H 3.672 0.000 . 16 . 3 PRO HD3 H 3.770 0.000 . 17 . 4 MET N N 119.952 0.000 . 18 . 4 MET H H 8.284 0.000 . 19 . 4 MET HA H 4.796 0.000 . 20 . 4 MET CB C 36.301 0.000 . 21 . 4 MET HB2 H 1.791 0.000 . 22 . 4 MET CG C 32.805 0.000 . 23 . 4 MET HG2 H 2.429 0.000 . 24 . 4 MET HG3 H 2.473 0.000 . 25 . 4 MET HE H 1.894 0.000 . 26 . 4 MET CE C 17.655 0.000 . 27 . 5 THR N N 115.133 0.000 . 28 . 5 THR H H 8.213 0.000 . 29 . 5 THR CA C 60.772 0.000 . 30 . 5 THR HA H 4.697 0.006 . 31 . 5 THR CB C 72.133 0.000 . 32 . 5 THR HB H 3.838 0.000 . 33 . 5 THR HG2 H 1.192 0.000 . 34 . 5 THR CG2 C 21.437 0.000 . 35 . 6 VAL N N 127.663 0.000 . 36 . 6 VAL H H 8.920 0.000 . 37 . 6 VAL CA C 65.325 0.000 . 38 . 6 VAL HA H 3.896 0.001 . 39 . 6 VAL CB C 31.454 0.000 . 40 . 6 VAL HB H 1.889 0.000 . 41 . 6 VAL HG1 H 0.938 0.000 . 42 . 6 VAL HG2 H 0.855 0.000 . 43 . 6 VAL CG1 C 22.123 0.000 . 44 . 6 VAL CG2 C 23.285 0.008 . 45 . 7 ALA N N 130.072 0.000 . 46 . 7 ALA H H 9.018 0.000 . 47 . 7 ALA CA C 53.082 0.000 . 48 . 7 ALA HA H 4.544 0.000 . 49 . 7 ALA HB H 1.295 0.000 . 50 . 7 ALA CB C 22.936 0.000 . 51 . 8 HIS N N 114.940 0.000 . 52 . 8 HIS H H 7.831 0.000 . 53 . 8 HIS CA C 55.917 0.000 . 54 . 8 HIS HA H 5.602 0.000 . 55 . 8 HIS CB C 34.358 0.000 . 56 . 8 HIS HB2 H 3.156 0.000 . 57 . 8 HIS HB3 H 3.381 0.000 . 58 . 9 MET N N 115.808 0.000 . 59 . 9 MET H H 8.850 0.000 . 60 . 9 MET CA C 54.738 0.000 . 61 . 9 MET HA H 5.449 0.000 . 62 . 9 MET CB C 37.854 0.000 . 63 . 9 MET HB2 H 1.940 0.000 . 64 . 9 MET CG C 34.605 0.000 . 65 . 9 MET HG2 H 2.548 0.000 . 66 . 9 MET HG3 H 2.681 0.000 . 67 . 9 MET HE H 1.564 0.000 . 68 . 9 MET CE C 19.986 0.000 . 69 . 10 TRP N N 123.807 0.000 . 70 . 10 TRP H H 9.559 0.000 . 71 . 10 TRP CA C 57.276 0.000 . 72 . 10 TRP HA H 5.798 0.000 . 73 . 10 TRP CB C 32.028 0.000 . 74 . 10 TRP HB2 H 2.742 0.001 . 75 . 10 TRP HB3 H 3.420 0.001 . 76 . 10 TRP CD1 C 129.574 0.000 . 77 . 10 TRP CE3 C 120.019 0.000 . 78 . 10 TRP NE1 N 133.060 0.000 . 79 . 10 TRP HD1 H 6.905 0.009 . 80 . 10 TRP HE3 H 7.725 0.000 . 81 . 10 TRP CZ3 C 120.019 0.000 . 82 . 10 TRP CZ2 C 115.358 0.000 . 83 . 10 TRP HE1 H 10.665 0.008 . 84 . 10 TRP HZ3 H 7.187 0.000 . 85 . 10 TRP CH2 C 122.116 0.000 . 86 . 10 TRP HZ2 H 7.541 0.003 . 87 . 10 TRP HH2 H 6.979 0.000 . 88 . 11 PHE N N 119.567 0.000 . 89 . 11 PHE H H 7.921 0.000 . 90 . 11 PHE CA C 57.082 0.000 . 91 . 11 PHE HA H 4.488 0.000 . 92 . 11 PHE CB C 38.631 0.000 . 93 . 11 PHE HB2 H 3.048 0.000 . 94 . 11 PHE HB3 H 3.396 0.000 . 95 . 11 PHE HD1 H 6.660 0.000 . 96 . 11 PHE CD1 C 131.904 0.000 . 97 . 12 ASP N N 120.048 0.000 . 98 . 12 ASP H H 9.125 0.003 . 99 . 12 ASP CA C 56.951 0.000 . 100 . 12 ASP HA H 4.057 0.001 . 101 . 12 ASP CB C 38.440 0.000 . 102 . 12 ASP HB2 H 2.645 0.000 . 103 . 13 ASN N N 113.302 0.000 . 104 . 13 ASN H H 8.835 0.000 . 105 . 13 ASN CA C 52.421 0.000 . 106 . 13 ASN HA H 3.763 0.000 . 107 . 13 ASN CB C 37.660 0.000 . 108 . 13 ASN HB2 H 1.952 0.000 . 109 . 13 ASN HB3 H 3.341 0.000 . 110 . 13 ASN ND2 N 107.712 0.000 . 111 . 13 ASN HD21 H 6.571 0.000 . 112 . 13 ASN HD22 H 7.399 0.000 . 113 . 14 GLN N N 116.153 0.000 . 114 . 14 GLN H H 6.530 0.001 . 115 . 14 GLN CA C 54.751 0.000 . 116 . 14 GLN HA H 4.433 0.000 . 117 . 14 GLN CB C 32.610 0.000 . 118 . 14 GLN HB2 H 1.428 0.000 . 119 . 14 GLN HB3 H 1.583 0.000 . 120 . 14 GLN CG C 32.999 0.000 . 121 . 14 GLN HG2 H 1.739 0.000 . 122 . 14 GLN HG3 H 1.850 0.000 . 123 . 15 ILE N N 123.133 0.000 . 124 . 15 ILE H H 8.399 0.001 . 125 . 15 ILE HA H 4.825 0.000 . 126 . 15 ILE CB C 37.466 0.000 . 127 . 15 ILE HB H 1.823 0.000 . 128 . 15 ILE HG2 H 0.843 0.000 . 129 . 15 ILE CG2 C 17.850 0.000 . 130 . 15 ILE CG1 C 29.137 0.000 . 131 . 15 ILE HG12 H 1.102 0.000 . 132 . 15 ILE HG13 H 1.911 0.000 . 133 . 15 ILE HD1 H 0.759 0.000 . 134 . 15 ILE CD1 C 12.023 0.000 . 135 . 16 HIS N N 128.723 0.000 . 136 . 16 HIS H H 9.380 0.000 . 137 . 16 HIS HA H 4.783 0.012 . 138 . 16 HIS CB C 34.164 0.000 . 139 . 16 HIS HB2 H 2.548 0.000 . 140 . 16 HIS HB3 H 2.974 0.000 . 141 . 17 GLU N N 123.229 0.000 . 142 . 17 GLU H H 9.022 0.001 . 143 . 17 GLU CA C 55.722 0.000 . 144 . 17 GLU HA H 4.451 0.000 . 145 . 17 GLU CB C 31.639 0.000 . 146 . 17 GLU HB2 H 1.957 0.000 . 147 . 17 GLU HB3 H 2.021 0.000 . 148 . 17 GLU CG C 36.689 0.000 . 149 . 17 GLU HG2 H 2.241 0.000 . 150 . 18 ALA N N 125.542 0.000 . 151 . 18 ALA H H 7.393 0.001 . 152 . 18 ALA CA C 51.450 0.000 . 153 . 18 ALA HA H 3.953 0.000 . 154 . 18 ALA HB H 0.998 0.000 . 155 . 18 ALA CB C 20.375 0.000 . 156 . 19 ASP N N 120.627 0.000 . 157 . 19 ASP H H 8.044 0.000 . 158 . 19 ASP CA C 53.669 0.000 . 159 . 19 ASP HA H 4.703 0.000 . 160 . 19 ASP CB C 40.962 0.000 . 161 . 19 ASP HB2 H 2.455 0.000 . 162 . 19 ASP HB3 H 2.718 0.001 . 163 . 20 THR N N 116.097 0.000 . 164 . 20 THR H H 8.457 0.001 . 165 . 20 THR CA C 60.966 0.000 . 166 . 20 THR HA H 4.327 0.000 . 167 . 20 THR CB C 68.929 0.000 . 168 . 20 THR HB H 4.445 0.000 . 169 . 20 THR HG2 H 1.132 0.000 . 170 . 20 THR CG2 C 21.734 0.000 . 171 . 21 THR N N 115.036 0.000 . 172 . 21 THR H H 8.205 0.000 . 173 . 21 THR CA C 62.520 0.000 . 174 . 21 THR HA H 4.256 0.000 . 175 . 21 THR CB C 70.483 0.000 . 176 . 21 THR HB H 4.290 0.000 . 177 . 21 THR HG2 H 1.236 0.000 . 178 . 21 THR CG2 C 22.048 0.000 . 179 . 26 GLY CA C 45.040 0.000 . 180 . 26 GLY HA2 H 3.732 0.000 . 181 . 26 GLY HA3 H 4.024 0.001 . 182 . 27 VAL N N 118.314 0.000 . 183 . 27 VAL H H 7.940 0.000 . 184 . 27 VAL CA C 61.549 0.000 . 185 . 27 VAL HA H 4.215 0.001 . 186 . 27 VAL CB C 32.999 0.000 . 187 . 27 VAL HB H 1.846 0.000 . 188 . 27 VAL HG1 H 0.773 0.001 . 189 . 27 VAL HG2 H 0.619 0.001 . 190 . 27 VAL CG1 C 21.346 0.000 . 191 . 27 VAL CG2 C 19.403 0.000 . 192 . 28 SER CA C 58.451 0.000 . 193 . 28 SER HA H 4.451 0.000 . 194 . 28 SER CB C 63.880 0.000 . 195 . 28 SER HB2 H 3.791 0.000 . 196 . 28 SER HB3 H 3.894 0.000 . 197 . 29 PHE N N 121.976 0.000 . 198 . 29 PHE H H 7.516 0.000 . 199 . 29 PHE CA C 55.917 0.000 . 200 . 29 PHE HA H 4.635 0.000 . 201 . 29 PHE CB C 39.991 0.000 . 202 . 29 PHE HB2 H 2.710 0.000 . 203 . 29 PHE HB3 H 2.946 0.001 . 204 . 29 PHE HD1 H 6.678 0.000 . 205 . 29 PHE HE1 H 6.049 0.000 . 206 . 29 PHE CD1 C 131.671 0.000 . 207 . 29 PHE CE1 C 130.273 0.000 . 208 . 29 PHE CZ C 129.108 0.000 . 209 . 29 PHE HZ H 5.575 0.001 . 210 . 31 LYS CA C 57.470 0.000 . 211 . 31 LYS HA H 4.100 0.000 . 212 . 31 LYS CB C 32.222 0.000 . 213 . 31 LYS HB2 H 1.719 0.000 . 214 . 31 LYS CG C 24.647 0.000 . 215 . 31 LYS HG2 H 1.278 0.000 . 216 . 32 THR N N 111.374 0.000 . 217 . 32 THR H H 8.500 0.000 . 218 . 32 THR CA C 62.326 0.000 . 219 . 32 THR HA H 4.395 0.000 . 220 . 32 THR CB C 69.512 0.000 . 221 . 32 THR HB H 4.401 0.001 . 222 . 32 THR HG2 H 1.217 0.000 . 223 . 32 THR CG2 C 21.734 0.000 . 224 . 33 SER N N 118.217 0.000 . 225 . 33 SER H H 7.459 0.000 . 226 . 33 SER CA C 58.442 0.000 . 227 . 33 SER HA H 4.399 0.000 . 228 . 33 SER CB C 63.880 0.000 . 229 . 33 SER HB2 H 3.741 0.000 . 230 . 33 SER HB3 H 3.947 0.001 . 231 . 34 ALA CA C 54.946 0.000 . 232 . 34 ALA HA H 4.208 0.000 . 233 . 34 ALA HB H 1.461 0.000 . 234 . 34 ALA CB C 18.844 0.000 . 235 . 35 THR N N 119.663 0.000 . 236 . 35 THR H H 9.180 0.001 . 237 . 35 THR CA C 65.603 0.000 . 238 . 35 THR HA H 3.785 0.000 . 239 . 35 THR CB C 67.078 0.000 . 240 . 35 THR HB H 4.027 0.001 . 241 . 35 THR HG2 H 1.125 0.000 . 242 . 35 THR CG2 C 25.618 0.000 . 243 . 36 TRP N N 122.458 0.000 . 244 . 36 TRP H H 7.619 0.000 . 245 . 36 TRP CA C 58.247 0.000 . 246 . 36 TRP HA H 3.703 0.000 . 247 . 36 TRP CB C 28.920 0.000 . 248 . 36 TRP HB2 H 2.733 0.000 . 249 . 36 TRP HB3 H 3.038 0.000 . 250 . 36 TRP CD1 C 127.010 0.000 . 251 . 36 TRP CE3 C 122.116 0.000 . 252 . 36 TRP NE1 N 127.470 0.000 . 253 . 36 TRP HD1 H 7.469 0.000 . 254 . 36 TRP HE3 H 6.500 0.000 . 255 . 36 TRP CZ3 C 120.252 0.000 . 256 . 36 TRP CZ2 C 114.368 0.101 . 257 . 36 TRP HE1 H 9.092 0.000 . 258 . 36 TRP HZ3 H 6.370 0.000 . 259 . 36 TRP CH2 C 123.049 0.000 . 260 . 36 TRP HZ2 H 7.169 0.000 . 261 . 36 TRP HH2 H 6.561 0.000 . 262 . 37 PHE N N 122.844 0.000 . 263 . 37 PHE H H 8.074 0.000 . 264 . 37 PHE CA C 61.743 0.000 . 265 . 37 PHE HA H 3.406 0.001 . 266 . 37 PHE CB C 37.524 0.000 . 267 . 37 PHE HB2 H 3.176 0.001 . 268 . 37 PHE HB3 H 3.221 0.001 . 269 . 37 PHE HD1 H 7.080 0.000 . 270 . 37 PHE HE1 H 7.212 0.000 . 271 . 37 PHE CD1 C 131.671 0.000 . 272 . 37 PHE CE1 C 131.438 0.000 . 273 . 37 PHE CZ C 128.642 0.000 . 274 . 37 PHE HZ H 6.839 0.000 . 275 . 38 ALA N N 119.856 0.000 . 276 . 38 ALA H H 7.025 0.000 . 277 . 38 ALA CA C 54.363 0.000 . 278 . 38 ALA HA H 3.666 0.001 . 279 . 38 ALA HB H 1.343 0.000 . 280 . 38 ALA CB C 18.627 0.000 . 281 . 39 LEU N N 121.741 0.000 . 282 . 39 LEU H H 8.232 0.000 . 283 . 39 LEU CA C 57.492 0.000 . 284 . 39 LEU HA H 3.448 0.000 . 285 . 39 LEU CB C 41.156 0.000 . 286 . 39 LEU HB2 H 0.780 0.000 . 287 . 39 LEU HB3 H 1.207 0.000 . 288 . 39 LEU HD1 H 0.211 0.000 . 289 . 39 LEU HD2 H 0.590 0.001 . 290 . 39 LEU CD1 C 22.759 0.000 . 291 . 39 LEU CD2 C 26.395 0.000 . 292 . 40 SER N N 114.362 0.000 . 293 . 40 SER H H 7.891 0.000 . 294 . 40 SER CA C 60.578 0.000 . 295 . 40 SER HA H 2.785 0.000 . 296 . 40 SER CB C 61.937 0.000 . 297 . 40 SER HB2 H 1.830 0.000 . 298 . 40 SER HB3 H 2.980 0.000 . 299 . 41 ARG N N 122.940 0.000 . 300 . 41 ARG H H 6.549 0.000 . 301 . 41 ARG CA C 58.830 0.000 . 302 . 41 ARG HA H 3.764 0.000 . 303 . 41 ARG CB C 30.280 0.000 . 304 . 41 ARG HB2 H 1.032 0.000 . 305 . 41 ARG HB3 H 1.507 0.000 . 306 . 41 ARG CD C 42.710 0.000 . 307 . 41 ARG HD2 H 1.980 0.001 . 308 . 41 ARG HD3 H 2.279 0.000 . 309 . 42 ILE N N 119.181 0.000 . 310 . 42 ILE H H 7.260 0.000 . 311 . 42 ILE CA C 66.492 0.000 . 312 . 42 ILE HA H 3.235 0.001 . 313 . 42 ILE CB C 38.631 0.000 . 314 . 42 ILE HB H 1.668 0.000 . 315 . 42 ILE HG2 H 1.265 0.000 . 316 . 42 ILE CG2 C 21.994 0.000 . 317 . 42 ILE CG1 C 28.532 0.000 . 318 . 42 ILE HG12 H 0.991 0.000 . 319 . 42 ILE HG13 H 2.027 0.000 . 320 . 42 ILE HD1 H 0.636 0.001 . 321 . 42 ILE CD1 C 15.593 0.000 . 322 . 43 ALA N N 118.795 0.000 . 323 . 43 ALA H H 7.980 0.000 . 324 . 43 ALA CA C 54.751 0.000 . 325 . 43 ALA HA H 3.892 0.001 . 326 . 43 ALA HB H 0.844 0.001 . 327 . 43 ALA CB C 18.044 0.000 . 328 . 44 GLY N N 102.603 0.000 . 329 . 44 GLY H H 8.042 0.000 . 330 . 44 GLY CA C 46.067 0.000 . 331 . 44 GLY HA2 H 3.399 0.000 . 332 . 44 GLY HA3 H 3.594 0.000 . 333 . 45 LEU N N 119.374 0.000 . 334 . 45 LEU H H 8.095 0.000 . 335 . 45 LEU CA C 56.305 0.000 . 336 . 45 LEU HA H 4.165 0.000 . 337 . 45 LEU CB C 43.194 0.000 . 338 . 45 LEU HB2 H 0.594 0.000 . 339 . 45 LEU HB3 H 1.376 0.000 . 340 . 45 LEU CG C 25.424 0.000 . 341 . 45 LEU HG H 1.564 0.000 . 342 . 45 LEU HD1 H -0.386 0.000 . 343 . 45 LEU HD2 H 0.547 0.000 . 344 . 45 LEU CD1 C 24.842 0.000 . 345 . 45 LEU CD2 C 23.133 0.000 . 346 . 46 CYS N N 121.880 0.000 . 347 . 46 CYS H H 8.601 0.000 . 348 . 46 CYS HA H 4.765 0.000 . 349 . 46 CYS CB C 24.477 0.000 . 350 . 46 CYS HB2 H 2.565 0.007 . 351 . 46 CYS HB3 H 2.884 0.001 . 352 . 47 ASN N N 119.952 0.000 . 353 . 47 ASN H H 7.546 0.000 . 354 . 47 ASN HB2 H 2.418 0.000 . 355 . 47 ASN HB3 H 2.506 0.000 . 356 . 47 ASN ND2 N 105.976 0.000 . 357 . 47 ASN HD21 H 6.246 0.000 . 358 . 47 ASN HD22 H 7.322 0.000 . 359 . 48 ARG N N 125.928 0.000 . 360 . 48 ARG H H 9.151 0.001 . 361 . 48 ARG CA C 55.488 0.000 . 362 . 48 ARG HA H 4.313 0.000 . 363 . 48 ARG CB C 31.445 0.000 . 364 . 48 ARG HB2 H 1.710 0.000 . 365 . 48 ARG HB3 H 2.135 0.001 . 366 . 48 ARG CG C 28.143 0.000 . 367 . 48 ARG HG2 H 1.557 0.000 . 368 . 48 ARG HG3 H 1.652 0.001 . 369 . 48 ARG CD C 43.487 0.000 . 370 . 48 ARG HD2 H 3.316 0.000 . 371 . 49 ALA N N 126.892 0.000 . 372 . 49 ALA H H 8.667 0.000 . 373 . 49 ALA CA C 52.615 0.000 . 374 . 49 ALA HA H 4.709 0.000 . 375 . 49 ALA HB H 1.161 0.000 . 376 . 49 ALA CB C 18.627 0.000 . 377 . 50 VAL N N 113.398 0.000 . 378 . 50 VAL H H 7.985 0.000 . 379 . 50 VAL CA C 58.830 0.000 . 380 . 50 VAL HA H 4.401 0.000 . 381 . 50 VAL CB C 35.974 0.000 . 382 . 50 VAL HB H 2.192 0.001 . 383 . 50 VAL HG1 H 0.862 0.000 . 384 . 50 VAL HG2 H 0.793 0.001 . 385 . 50 VAL CG1 C 22.394 0.000 . 386 . 50 VAL CG2 C 18.238 0.000 . 387 . 51 PHE N N 120.530 0.000 . 388 . 51 PHE H H 8.388 0.000 . 389 . 51 PHE CA C 59.413 0.000 . 390 . 51 PHE HA H 4.670 0.000 . 391 . 51 PHE CB C 39.589 0.000 . 392 . 51 PHE HB2 H 2.842 0.000 . 393 . 51 PHE HB3 H 3.073 0.001 . 394 . 51 PHE HD1 H 7.287 0.002 . 395 . 51 PHE HE1 H 6.839 0.000 . 396 . 51 PHE CD1 C 132.604 0.000 . 397 . 51 PHE CE1 C 128.642 0.000 . 398 . 51 PHE CZ C 130.972 0.000 . 399 . 51 PHE HZ H 7.176 0.000 . 400 . 52 GLN N N 120.916 0.000 . 401 . 52 GLN H H 8.167 0.001 . 402 . 52 GLN CA C 56.288 0.000 . 403 . 52 GLN HA H 4.303 0.000 . 404 . 52 GLN CB C 29.097 0.000 . 405 . 52 GLN HB2 H 1.637 0.001 . 406 . 52 GLN HB3 H 2.225 0.000 . 407 . 52 GLN CG C 33.776 0.000 . 408 . 52 GLN HG2 H 2.167 0.001 . 409 . 52 GLN HG3 H 2.225 0.001 . 410 . 52 GLN NE2 N 111.470 0.000 . 411 . 52 GLN HE21 H 6.887 0.000 . 412 . 52 GLN HE22 H 7.127 0.000 . 413 . 55 GLN N N 116.386 0.000 . 414 . 55 GLN H H 8.425 0.000 . 415 . 55 GLN CA C 54.557 0.000 . 416 . 55 GLN HA H 4.552 0.000 . 417 . 55 GLN CB C 30.474 0.000 . 418 . 55 GLN HB2 H 1.736 0.000 . 419 . 55 GLN HB3 H 2.348 0.000 . 420 . 55 GLN CG C 34.747 0.000 . 421 . 55 GLN HG2 H 2.094 0.000 . 422 . 55 GLN HG3 H 2.348 0.000 . 423 . 56 GLU N N 119.374 0.000 . 424 . 56 GLU H H 9.097 0.000 . 425 . 56 GLU CA C 59.995 0.000 . 426 . 56 GLU HA H 3.681 0.000 . 427 . 56 GLU HB2 H 1.955 0.004 . 428 . 56 GLU HB3 H 2.289 0.000 . 429 . 57 ASN CA C 53.198 0.000 . 430 . 57 ASN HA H 4.601 0.000 . 431 . 57 ASN CB C 37.854 0.000 . 432 . 57 ASN HB2 H 2.700 0.000 . 433 . 57 ASN HB3 H 2.773 0.000 . 434 . 58 LEU N N 122.844 0.000 . 435 . 58 LEU H H 7.617 0.000 . 436 . 58 LEU CA C 52.446 0.000 . 437 . 58 LEU HA H 4.670 0.000 . 438 . 58 LEU CB C 42.557 0.013 . 439 . 58 LEU HB2 H 1.168 0.000 . 440 . 58 LEU HB3 H 1.655 0.000 . 441 . 58 LEU CG C 26.978 0.000 . 442 . 58 LEU HG H 1.532 0.000 . 443 . 58 LEU HD1 H 0.863 0.000 . 444 . 58 LEU HD2 H 0.806 0.001 . 445 . 58 LEU CD1 C 25.884 0.000 . 446 . 58 LEU CD2 C 23.288 0.000 . 447 . 59 PRO CD C 50.673 0.000 . 448 . 59 PRO CA C 62.714 0.000 . 449 . 59 PRO HA H 4.397 0.000 . 450 . 59 PRO CB C 32.028 0.000 . 451 . 59 PRO HB2 H 1.718 0.000 . 452 . 59 PRO HB3 H 2.374 0.000 . 453 . 59 PRO CG C 27.949 0.000 . 454 . 59 PRO HG2 H 1.968 0.000 . 455 . 59 PRO HG3 H 2.013 0.000 . 456 . 59 PRO HD2 H 3.338 0.000 . 457 . 59 PRO HD3 H 3.887 0.000 . 458 . 60 ILE N N 124.386 0.000 . 459 . 60 ILE H H 8.725 0.000 . 460 . 60 ILE CA C 66.016 0.000 . 461 . 60 ILE HA H 2.918 0.000 . 462 . 60 ILE CB C 38.049 0.000 . 463 . 60 ILE HB H 1.622 0.000 . 464 . 60 ILE HG2 H 0.896 0.000 . 465 . 60 ILE CG2 C 18.659 0.000 . 466 . 60 ILE CG1 C 29.181 0.072 . 467 . 60 ILE HG12 H 0.928 0.000 . 468 . 60 ILE HG13 H 1.666 0.000 . 469 . 60 ILE HD1 H 0.860 0.000 . 470 . 60 ILE CD1 C 13.965 0.000 . 471 . 61 LEU N N 114.940 0.000 . 472 . 61 LEU H H 8.798 0.001 . 473 . 61 LEU CA C 57.470 0.000 . 474 . 61 LEU HA H 3.967 0.000 . 475 . 61 LEU CB C 40.962 0.000 . 476 . 61 LEU HB2 H 1.582 0.000 . 477 . 61 LEU HB3 H 1.718 0.000 . 478 . 61 LEU CG C 27.561 0.000 . 479 . 61 LEU HG H 1.748 0.000 . 480 . 61 LEU HD1 H 0.927 0.000 . 481 . 61 LEU HD2 H 0.883 0.000 . 482 . 61 LEU CD1 C 25.036 0.000 . 483 . 61 LEU CD2 C 23.267 0.000 . 484 . 62 LYS N N 117.157 0.000 . 485 . 62 LYS H H 7.774 0.000 . 486 . 62 LYS CA C 54.946 0.000 . 487 . 62 LYS HA H 4.393 0.000 . 488 . 62 LYS CB C 33.387 0.000 . 489 . 62 LYS HB2 H 1.638 0.000 . 490 . 62 LYS HB3 H 2.051 0.000 . 491 . 62 LYS CG C 25.129 0.000 . 492 . 62 LYS HG2 H 1.322 0.000 . 493 . 62 LYS HG3 H 1.447 0.000 . 494 . 62 LYS CD C 28.726 0.000 . 495 . 62 LYS HD2 H 1.552 0.000 . 496 . 62 LYS HD3 H 1.623 0.000 . 497 . 62 LYS CE C 41.933 0.000 . 498 . 62 LYS HE2 H 2.919 0.000 . 499 . 62 LYS HE3 H 2.949 0.000 . 500 . 63 ARG N N 119.712 0.000 . 501 . 63 ARG H H 7.321 0.000 . 502 . 63 ARG CA C 57.470 0.000 . 503 . 63 ARG HA H 4.050 0.000 . 504 . 63 ARG CB C 32.102 0.000 . 505 . 63 ARG HB2 H 1.653 0.000 . 506 . 63 ARG HB3 H 1.859 0.000 . 507 . 63 ARG CG C 27.860 0.000 . 508 . 63 ARG HG2 H 1.579 0.000 . 509 . 63 ARG CD C 43.487 0.000 . 510 . 63 ARG HD2 H 1.953 0.000 . 511 . 63 ARG HD3 H 2.375 0.000 . 512 . 63 ARG NE N 86.121 0.000 . 513 . 63 ARG HE H 6.373 0.000 . 514 . 64 ALA N N 126.410 0.000 . 515 . 64 ALA H H 9.177 0.000 . 516 . 64 ALA CA C 52.262 0.000 . 517 . 64 ALA HA H 4.423 0.000 . 518 . 64 ALA HB H 1.279 0.000 . 519 . 64 ALA CB C 19.015 0.000 . 520 . 65 VAL N N 122.169 0.000 . 521 . 65 VAL H H 8.675 0.000 . 522 . 65 VAL CA C 60.772 0.000 . 523 . 65 VAL HA H 4.513 0.000 . 524 . 65 VAL CB C 36.106 0.000 . 525 . 65 VAL HB H 1.818 0.000 . 526 . 65 VAL HG1 H 0.568 0.000 . 527 . 65 VAL HG2 H 0.767 0.000 . 528 . 65 VAL CG1 C 23.141 0.000 . 529 . 65 VAL CG2 C 22.705 0.000 . 530 . 66 ALA N N 130.940 0.000 . 531 . 66 ALA H H 9.004 0.000 . 532 . 66 ALA CA C 50.673 0.000 . 533 . 66 ALA HA H 4.692 0.000 . 534 . 66 ALA HB H 1.218 0.000 . 535 . 66 ALA CB C 19.015 0.000 . 536 . 67 GLY N N 112.434 0.000 . 537 . 67 GLY H H 7.977 0.000 . 538 . 67 GLY CA C 44.264 0.000 . 539 . 67 GLY HA2 H 3.858 0.000 . 540 . 67 GLY HA3 H 4.110 0.000 . 541 . 68 ASP N N 121.301 0.000 . 542 . 68 ASP H H 9.120 0.000 . 543 . 68 ASP CA C 53.849 0.000 . 544 . 68 ASP HA H 4.477 0.007 . 545 . 68 ASP CB C 41.739 0.000 . 546 . 68 ASP HB2 H 2.473 0.000 . 547 . 68 ASP HB3 H 2.968 0.000 . 548 . 70 SER CA C 61.743 0.000 . 549 . 70 SER HA H 4.201 0.000 . 550 . 70 SER CB C 62.520 0.000 . 551 . 70 SER HB2 H 3.352 0.000 . 552 . 70 SER HB3 H 3.612 0.000 . 553 . 71 GLU HB3 H 2.349 0.000 . 554 . 72 SER N N 116.964 0.000 . 555 . 72 SER H H 8.609 0.000 . 556 . 72 SER CA C 62.132 0.000 . 557 . 72 SER HA H 3.776 0.000 . 558 . 72 SER CB C 62.714 0.000 . 559 . 72 SER HB2 H 3.642 0.000 . 560 . 72 SER HB3 H 3.777 0.000 . 561 . 73 ALA N N 123.716 0.000 . 562 . 73 ALA H H 7.245 0.001 . 563 . 73 ALA CA C 54.946 0.000 . 564 . 73 ALA HA H 4.130 0.000 . 565 . 73 ALA HB H 1.345 0.000 . 566 . 73 ALA CB C 18.508 0.000 . 567 . 74 LEU N N 118.892 0.000 . 568 . 74 LEU H H 7.927 0.000 . 569 . 74 LEU CA C 58.053 0.000 . 570 . 74 LEU HA H 3.683 0.000 . 571 . 74 LEU CB C 41.933 0.000 . 572 . 74 LEU HB2 H 1.042 0.000 . 573 . 74 LEU HB3 H 1.764 0.000 . 574 . 74 LEU CG C 26.201 0.000 . 575 . 74 LEU HG H 1.974 0.000 . 576 . 74 LEU HD1 H 0.853 0.000 . 577 . 74 LEU HD2 H 0.715 0.000 . 578 . 74 LEU CD1 C 25.618 0.000 . 579 . 74 LEU CD2 C 23.094 0.000 . 580 . 75 LEU N N 120.338 0.000 . 581 . 75 LEU H H 8.342 0.000 . 582 . 75 LEU CA C 58.636 0.000 . 583 . 75 LEU HA H 3.652 0.000 . 584 . 75 LEU CB C 42.328 0.000 . 585 . 75 LEU HB2 H 1.154 0.000 . 586 . 75 LEU HB3 H 1.865 0.000 . 587 . 75 LEU CG C 26.978 0.000 . 588 . 75 LEU HG H 0.886 0.000 . 589 . 75 LEU HD1 H 0.626 0.001 . 590 . 75 LEU HD2 H -0.274 0.000 . 591 . 75 LEU CD1 C 22.317 0.000 . 592 . 75 LEU CD2 C 25.036 0.000 . 593 . 76 LYS N N 115.326 0.000 . 594 . 76 LYS H H 7.744 0.001 . 595 . 76 LYS CA C 61.422 0.000 . 596 . 76 LYS HA H 3.741 0.000 . 597 . 76 LYS CB C 33.071 0.000 . 598 . 76 LYS HB2 H 1.806 0.001 . 599 . 76 LYS CG C 28.143 0.000 . 600 . 76 LYS HG2 H 1.335 0.000 . 601 . 76 LYS HG3 H 1.665 0.000 . 602 . 76 LYS CD C 30.347 0.000 . 603 . 76 LYS HD2 H 1.733 0.000 . 604 . 76 LYS HD3 H 1.809 0.000 . 605 . 76 LYS CE C 42.965 0.000 . 606 . 76 LYS HE2 H 2.891 0.000 . 607 . 76 LYS HE3 H 3.191 0.000 . 608 . 77 CYS N N 115.518 0.000 . 609 . 77 CYS H H 7.530 0.001 . 610 . 77 CYS CA C 58.442 0.000 . 611 . 77 CYS HA H 4.355 0.000 . 612 . 77 CYS CB C 43.681 0.000 . 613 . 77 CYS HB2 H 3.117 0.002 . 614 . 77 CYS HB3 H 3.205 0.001 . 615 . 78 ILE N N 117.157 0.000 . 616 . 78 ILE H H 8.268 0.000 . 617 . 78 ILE CA C 62.714 0.000 . 618 . 78 ILE HA H 3.602 0.000 . 619 . 78 ILE CB C 34.358 0.000 . 620 . 78 ILE HB H 1.833 0.000 . 621 . 78 ILE HG2 H 0.633 0.000 . 622 . 78 ILE CG2 C 19.671 0.000 . 623 . 78 ILE HG12 H 0.937 0.000 . 624 . 78 ILE HG13 H 1.835 0.000 . 625 . 78 ILE HD1 H 0.429 0.000 . 626 . 78 ILE CD1 C 9.304 0.000 . 627 . 79 GLU N N 123.671 0.000 . 628 . 79 GLU H H 8.683 0.000 . 629 . 79 GLU CA C 59.014 0.000 . 630 . 79 GLU HA H 4.515 0.000 . 631 . 79 GLU CB C 28.726 0.000 . 632 . 79 GLU HB2 H 1.973 0.000 . 633 . 79 GLU HB3 H 2.681 0.000 . 634 . 79 GLU CG C 34.553 0.000 . 635 . 79 GLU HG2 H 2.145 0.001 . 636 . 79 GLU HG3 H 2.217 0.000 . 637 . 80 VAL N N 116.868 0.000 . 638 . 80 VAL H H 8.047 0.000 . 639 . 80 VAL CA C 65.239 0.000 . 640 . 80 VAL HA H 3.808 0.000 . 641 . 80 VAL CB C 32.028 0.000 . 642 . 80 VAL HB H 2.165 0.000 . 643 . 80 VAL HG1 H 1.037 0.000 . 644 . 80 VAL HG2 H 1.108 0.000 . 645 . 80 VAL CG1 C 21.151 0.000 . 646 . 80 VAL CG2 C 22.899 0.000 . 647 . 81 CYS N N 118.024 0.000 . 648 . 81 CYS H H 7.838 0.001 . 649 . 81 CYS CA C 61.743 0.000 . 650 . 81 CYS HA H 4.268 0.000 . 651 . 81 CYS CB C 29.503 0.000 . 652 . 81 CYS HB2 H 3.145 0.000 . 653 . 82 CYS N N 113.494 0.000 . 654 . 82 CYS H H 8.965 0.000 . 655 . 82 CYS CA C 54.169 0.000 . 656 . 82 CYS HA H 4.950 0.000 . 657 . 82 CYS CB C 42.792 0.000 . 658 . 82 CYS HB2 H 2.890 0.000 . 659 . 82 CYS HB3 H 3.256 0.000 . 660 . 83 GLY N N 111.759 0.000 . 661 . 83 GLY H H 7.826 0.000 . 662 . 83 GLY CA C 44.069 0.000 . 663 . 83 GLY HA2 H 3.793 0.000 . 664 . 83 GLY HA3 H 4.357 0.000 . 665 . 84 SER N N 108.334 0.000 . 666 . 84 SER H H 7.848 0.001 . 667 . 84 SER CA C 57.859 0.000 . 668 . 84 SER HA H 4.710 0.001 . 669 . 84 SER CB C 63.170 0.000 . 670 . 84 SER HB2 H 3.770 0.001 . 671 . 84 SER HB3 H 4.001 0.000 . 672 . 85 VAL N N 135.566 0.000 . 673 . 85 VAL H H 9.723 0.000 . 674 . 85 VAL CA C 65.885 0.000 . 675 . 85 VAL HA H 3.625 0.000 . 676 . 85 VAL CB C 31.445 0.000 . 677 . 85 VAL HB H 1.953 0.000 . 678 . 85 VAL HG1 H 0.745 0.000 . 679 . 85 VAL HG2 H 1.074 0.000 . 680 . 85 VAL CG1 C 22.511 0.000 . 681 . 85 VAL CG2 C 23.871 0.000 . 682 . 86 MET N N 120.530 0.000 . 683 . 86 MET H H 8.814 0.000 . 684 . 86 MET CA C 57.665 0.000 . 685 . 86 MET HA H 4.312 0.000 . 686 . 86 MET CB C 29.891 0.000 . 687 . 86 MET HB2 H 2.019 0.000 . 688 . 86 MET HB3 H 2.069 0.000 . 689 . 86 MET CG C 32.610 0.000 . 690 . 86 MET HG2 H 2.819 0.000 . 691 . 86 MET HG3 H 2.851 0.000 . 692 . 86 MET HE H 2.136 0.000 . 693 . 86 MET CE C 16.879 0.000 . 694 . 87 GLU N N 121.012 0.000 . 695 . 87 GLU H H 8.008 0.000 . 696 . 87 GLU CA C 59.440 0.010 . 697 . 87 GLU HA H 4.012 0.000 . 698 . 87 GLU CB C 29.524 0.029 . 699 . 87 GLU HB2 H 1.998 0.000 . 700 . 87 GLU HB3 H 2.040 0.000 . 701 . 87 GLU CG C 36.688 0.001 . 702 . 87 GLU HG2 H 2.216 0.000 . 703 . 87 GLU HG3 H 2.371 0.000 . 704 . 88 MET N N 121.976 0.000 . 705 . 88 MET H H 7.422 0.000 . 706 . 88 MET CA C 59.840 0.000 . 707 . 88 MET HA H 4.106 0.000 . 708 . 88 MET CB C 34.147 0.000 . 709 . 88 MET HB2 H 2.251 0.000 . 710 . 88 MET HB3 H 2.296 0.000 . 711 . 88 MET CG C 30.956 0.000 . 712 . 88 MET HG2 H 2.278 0.000 . 713 . 88 MET HG3 H 2.627 0.000 . 714 . 88 MET HE H 1.735 0.000 . 715 . 88 MET CE C 15.519 0.000 . 716 . 89 ARG N N 118.121 0.000 . 717 . 89 ARG H H 8.449 0.001 . 718 . 89 ARG CA C 59.688 0.000 . 719 . 89 ARG HA H 3.865 0.000 . 720 . 89 ARG CB C 30.280 0.000 . 721 . 89 ARG HB2 H 2.014 0.000 . 722 . 89 ARG CG C 28.697 0.000 . 723 . 89 ARG HG2 H 1.907 0.000 . 724 . 89 ARG CD C 44.894 0.000 . 725 . 89 ARG HD2 H 3.001 0.000 . 726 . 89 ARG HD3 H 3.302 0.000 . 727 . 89 ARG NE N 86.121 0.000 . 728 . 89 ARG HE H 6.513 0.000 . 729 . 90 GLU N N 117.601 0.000 . 730 . 90 GLU H H 7.701 0.001 . 731 . 90 GLU CA C 58.053 0.000 . 732 . 90 GLU HA H 4.017 0.000 . 733 . 90 GLU CB C 29.735 0.000 . 734 . 90 GLU HB2 H 2.040 0.000 . 735 . 90 GLU HB3 H 2.090 0.000 . 736 . 90 GLU CG C 36.301 0.000 . 737 . 90 GLU HG2 H 2.255 0.000 . 738 . 90 GLU HG3 H 2.348 0.000 . 739 . 91 LYS N N 119.567 0.000 . 740 . 91 LYS H H 7.615 0.005 . 741 . 91 LYS CA C 58.452 0.000 . 742 . 91 LYS HA H 3.994 0.000 . 743 . 91 LYS CB C 33.016 0.000 . 744 . 91 LYS HB2 H 1.695 0.000 . 745 . 91 LYS HB3 H 1.845 0.000 . 746 . 91 LYS CG C 25.230 0.000 . 747 . 91 LYS HG2 H 0.854 0.000 . 748 . 91 LYS HG3 H 1.327 0.000 . 749 . 91 LYS CD C 29.309 0.000 . 750 . 91 LYS HD2 H 1.523 0.000 . 751 . 91 LYS CE C 42.127 0.000 . 752 . 91 LYS HE2 H 2.767 0.000 . 753 . 92 TYR N N 119.856 0.000 . 754 . 92 TYR H H 7.620 0.000 . 755 . 92 TYR CA C 54.557 0.000 . 756 . 92 TYR HA H 5.236 0.000 . 757 . 92 TYR CB C 38.127 0.026 . 758 . 92 TYR HB2 H 2.666 0.000 . 759 . 92 TYR HB3 H 2.888 0.000 . 760 . 92 TYR HD1 H 7.396 0.000 . 761 . 92 TYR HE1 H 6.707 0.000 . 762 . 92 TYR CD1 C 134.468 0.000 . 763 . 92 TYR CE1 C 117.455 0.000 . 764 . 93 THR N N 116.771 0.000 . 765 . 93 THR H H 7.217 0.000 . 766 . 93 THR CA C 64.740 0.000 . 767 . 93 THR HA H 3.940 0.000 . 768 . 93 THR CB C 70.483 0.000 . 769 . 93 THR HB H 3.724 0.000 . 770 . 93 THR HG2 H 1.242 0.000 . 771 . 93 THR CG2 C 21.540 0.000 . 772 . 94 LYS N N 129.398 0.000 . 773 . 94 LYS H H 8.660 0.000 . 774 . 94 LYS CA C 58.247 0.000 . 775 . 94 LYS HA H 3.455 0.000 . 776 . 94 LYS CB C 31.833 0.000 . 777 . 94 LYS HB2 H 1.719 0.000 . 778 . 94 LYS HB3 H 1.917 0.001 . 779 . 94 LYS CG C 24.259 0.000 . 780 . 94 LYS HG2 H 0.706 0.000 . 781 . 94 LYS HG3 H 1.030 0.001 . 782 . 94 LYS CD C 29.503 0.000 . 783 . 94 LYS HD2 H 1.595 0.000 . 784 . 94 LYS CE C 41.350 0.000 . 785 . 94 LYS HE2 H 2.839 0.000 . 786 . 94 LYS HE3 H 2.974 0.000 . 787 . 95 ILE N N 128.916 0.000 . 788 . 95 ILE H H 9.328 0.001 . 789 . 95 ILE CA C 63.491 0.000 . 790 . 95 ILE HA H 4.071 0.000 . 791 . 95 ILE CB C 39.991 0.000 . 792 . 95 ILE HB H 1.311 0.000 . 793 . 95 ILE HG2 H 1.103 0.001 . 794 . 95 ILE CG2 C 18.432 0.000 . 795 . 95 ILE CG1 C 27.172 0.000 . 796 . 95 ILE HG12 H 0.987 0.000 . 797 . 95 ILE HG13 H 1.646 0.000 . 798 . 95 ILE HD1 H 0.989 0.000 . 799 . 95 ILE CD1 C 14.742 0.000 . 800 . 96 VAL N N 110.024 0.000 . 801 . 96 VAL H H 6.930 0.000 . 802 . 96 VAL CA C 59.218 0.000 . 803 . 96 VAL HA H 4.587 0.000 . 804 . 96 VAL CB C 36.883 0.000 . 805 . 96 VAL HB H 1.894 0.000 . 806 . 96 VAL HG1 H 0.825 0.000 . 807 . 96 VAL HG2 H 0.283 0.000 . 808 . 96 VAL CG1 C 22.511 0.000 . 809 . 96 VAL CG2 C 19.403 0.000 . 810 . 97 GLU N N 121.205 0.000 . 811 . 97 GLU H H 8.517 0.000 . 812 . 97 GLU HB2 H 1.881 0.000 . 813 . 97 GLU HB3 H 1.966 0.000 . 814 . 97 GLU HG3 H 2.155 0.000 . 815 . 98 ILE N N 125.831 0.000 . 816 . 98 ILE H H 9.224 0.001 . 817 . 98 ILE CA C 59.024 0.000 . 818 . 98 ILE HA H 4.630 0.000 . 819 . 98 ILE CB C 39.602 0.000 . 820 . 98 ILE HB H 1.969 0.000 . 821 . 98 ILE HG2 H 0.978 0.000 . 822 . 98 ILE CG2 C 16.490 0.000 . 823 . 98 ILE CG1 C 27.172 0.000 . 824 . 98 ILE HG12 H 1.223 0.000 . 825 . 98 ILE HG13 H 1.634 0.000 . 826 . 98 ILE HD1 H 1.118 0.000 . 827 . 98 ILE CD1 C 13.383 0.000 . 828 . 99 PRO CD C 51.722 0.000 . 829 . 99 PRO CA C 62.714 0.000 . 830 . 99 PRO HA H 4.200 0.000 . 831 . 99 PRO CB C 32.805 0.000 . 832 . 99 PRO HB2 H 1.941 0.000 . 833 . 99 PRO HB3 H 2.232 0.000 . 834 . 99 PRO CG C 27.172 0.000 . 835 . 99 PRO HG2 H 1.959 0.000 . 836 . 99 PRO HG3 H 2.062 0.000 . 837 . 99 PRO HD2 H 3.812 0.000 . 838 . 100 PHE N N 123.036 0.000 . 839 . 100 PHE H H 8.711 0.000 . 840 . 100 PHE CA C 59.607 0.000 . 841 . 100 PHE HA H 4.201 0.000 . 842 . 100 PHE CB C 39.602 0.000 . 843 . 100 PHE HB2 H 2.546 0.000 . 844 . 100 PHE HB3 H 2.909 0.000 . 845 . 100 PHE HD1 H 6.264 0.001 . 846 . 100 PHE HE1 H 6.687 0.002 . 847 . 100 PHE CD1 C 130.040 0.000 . 848 . 100 PHE CE1 C 130.972 0.000 . 849 . 100 PHE CZ C 129.341 0.000 . 850 . 100 PHE HZ H 6.883 0.000 . 851 . 101 ASN N N 122.169 0.000 . 852 . 101 ASN H H 6.242 0.000 . 853 . 101 ASN CA C 51.838 0.000 . 854 . 101 ASN HA H 4.158 0.000 . 855 . 101 ASN HB2 H 2.642 0.000 . 856 . 101 ASN HB3 H 2.800 0.001 . 857 . 101 ASN ND2 N 116.386 0.000 . 858 . 101 ASN HD21 H 6.329 0.000 . 859 . 101 ASN HD22 H 7.707 0.000 . 860 . 103 THR N N 119.759 0.000 . 861 . 103 THR H H 8.106 0.000 . 862 . 103 THR CA C 65.433 0.000 . 863 . 103 THR HA H 4.005 0.000 . 864 . 103 THR CB C 68.347 0.000 . 865 . 103 THR HB H 3.952 0.000 . 866 . 103 THR HG2 H 1.068 0.000 . 867 . 103 THR CG2 C 21.579 0.000 . 868 . 104 ASN N N 120.241 0.000 . 869 . 104 ASN H H 7.978 0.000 . 870 . 104 ASN CA C 54.169 0.000 . 871 . 104 ASN HA H 4.136 0.000 . 872 . 104 ASN CB C 36.495 0.000 . 873 . 104 ASN HB2 H 1.303 0.000 . 874 . 104 ASN HB3 H 2.054 0.000 . 875 . 104 ASN ND2 N 112.338 0.000 . 876 . 104 ASN HD21 H 6.792 0.000 . 877 . 104 ASN HD22 H 8.014 0.000 . 878 . 105 LYS N N 110.024 0.000 . 879 . 105 LYS H H 7.941 0.000 . 880 . 105 LYS CA C 57.859 0.000 . 881 . 105 LYS HA H 3.546 0.000 . 882 . 105 LYS CB C 29.891 0.000 . 883 . 105 LYS HB2 H 1.543 0.000 . 884 . 105 LYS HB3 H 1.740 0.000 . 885 . 105 LYS CG C 26.201 0.000 . 886 . 105 LYS HG2 H 1.173 0.000 . 887 . 105 LYS CE C 42.731 0.000 . 888 . 105 LYS HE2 H 3.059 0.000 . 889 . 105 LYS HE3 H 3.125 0.000 . 890 . 106 TYR N N 107.422 0.000 . 891 . 106 TYR H H 6.624 0.001 . 892 . 106 TYR CA C 55.777 0.000 . 893 . 106 TYR HA H 5.614 0.000 . 894 . 106 TYR CB C 41.180 0.000 . 895 . 106 TYR HB2 H 2.841 0.000 . 896 . 106 TYR HB3 H 2.972 0.000 . 897 . 106 TYR HD1 H 6.576 0.000 . 898 . 106 TYR HE1 H 6.538 0.000 . 899 . 106 TYR CD1 C 133.536 0.000 . 900 . 106 TYR CE1 C 117.455 0.000 . 901 . 107 GLN N N 122.072 0.000 . 902 . 107 GLN H H 9.378 0.000 . 903 . 107 GLN HA H 4.797 0.005 . 904 . 107 GLN CB C 35.912 0.000 . 905 . 107 GLN HB2 H 1.850 0.000 . 906 . 107 GLN HB3 H 2.332 0.001 . 907 . 107 GLN CG C 34.553 0.000 . 908 . 107 GLN HG2 H 2.935 0.000 . 909 . 108 LEU N N 124.675 0.000 . 910 . 108 LEU H H 8.469 0.000 . 911 . 108 LEU CA C 53.974 0.000 . 912 . 108 LEU HA H 5.697 0.000 . 913 . 108 LEU CB C 47.371 0.000 . 914 . 108 LEU HB2 H 1.644 0.000 . 915 . 108 LEU HB3 H 1.837 0.000 . 916 . 108 LEU CG C 26.590 0.000 . 917 . 108 LEU HG H 1.822 0.000 . 918 . 108 LEU HD1 H 0.855 0.000 . 919 . 108 LEU HD2 H 0.788 0.000 . 920 . 108 LEU CD1 C 26.007 0.000 . 921 . 108 LEU CD2 C 26.784 0.000 . 922 . 109 SER N N 116.675 0.000 . 923 . 109 SER H H 9.357 0.000 . 924 . 109 SER CA C 58.830 0.000 . 925 . 109 SER HA H 4.667 0.001 . 926 . 109 SER CB C 63.103 0.000 . 927 . 109 SER HB2 H 3.775 0.000 . 928 . 109 SER HB3 H 4.006 0.000 . 929 . 110 ILE N N 119.759 0.000 . 930 . 110 ILE H H 7.993 0.000 . 931 . 110 ILE CA C 59.895 0.000 . 932 . 110 ILE HA H 4.988 0.000 . 933 . 110 ILE CB C 39.408 0.000 . 934 . 110 ILE HB H 0.642 0.000 . 935 . 110 ILE HG2 H -0.126 0.000 . 936 . 110 ILE CG2 C 16.296 0.000 . 937 . 110 ILE CG1 C 27.755 0.000 . 938 . 110 ILE HG12 H 0.122 0.000 . 939 . 110 ILE HG13 H 0.626 0.000 . 940 . 110 ILE HD1 H -0.873 0.000 . 941 . 110 ILE CD1 C 11.440 0.000 . 942 . 111 HIS N N 127.181 0.000 . 943 . 111 HIS H H 9.480 0.000 . 944 . 111 HIS CA C 54.238 0.000 . 945 . 111 HIS HA H 5.270 0.000 . 946 . 111 HIS CB C 32.610 0.000 . 947 . 111 HIS HB2 H 2.587 0.000 . 948 . 111 HIS HB3 H 3.067 0.000 . 949 . 111 HIS CD2 C 129.341 0.000 . 950 . 111 HIS HD1 H 11.510 0.000 . 951 . 111 HIS CE1 C 137.265 0.000 . 952 . 111 HIS HD2 H 6.685 0.000 . 953 . 111 HIS HE1 H 7.740 0.000 . 954 . 112 LYS N N 123.711 0.000 . 955 . 112 LYS H H 9.041 0.000 . 956 . 112 LYS CA C 56.354 0.000 . 957 . 112 LYS HA H 4.571 0.000 . 958 . 112 LYS CB C 33.193 0.000 . 959 . 112 LYS HB2 H 1.807 0.000 . 960 . 112 LYS HB3 H 1.928 0.000 . 961 . 112 LYS CG C 25.310 0.000 . 962 . 112 LYS HG2 H 1.483 0.000 . 963 . 112 LYS HG3 H 1.551 0.000 . 964 . 112 LYS CD C 28.920 0.000 . 965 . 112 LYS HD2 H 1.726 0.000 . 966 . 112 LYS CE C 41.804 0.000 . 967 . 112 LYS HE2 H 2.916 0.000 . 968 . 112 LYS HE3 H 3.022 0.000 . 969 . 113 ASN N N 120.241 0.000 . 970 . 113 ASN H H 8.384 0.001 . 971 . 113 ASN CA C 48.925 0.000 . 972 . 113 ASN HA H 5.066 0.000 . 973 . 113 ASN CB C 40.185 0.000 . 974 . 113 ASN HB2 H 2.078 0.000 . 975 . 113 ASN HB3 H 3.733 0.000 . 976 . 114 PRO CD C 49.896 0.000 . 977 . 114 PRO CA C 62.764 0.000 . 978 . 114 PRO HA H 4.446 0.000 . 979 . 114 PRO CB C 32.027 0.002 . 980 . 114 PRO HB2 H 1.975 0.000 . 981 . 114 PRO CG C 25.813 0.000 . 982 . 114 PRO HG2 H 1.346 0.000 . 983 . 114 PRO HG3 H 1.476 0.000 . 984 . 114 PRO HD2 H 3.204 0.000 . 985 . 114 PRO HD3 H 3.227 0.000 . 986 . 115 ASN N N 122.169 0.000 . 987 . 115 ASN H H 7.913 0.001 . 988 . 115 ASN CA C 53.668 0.000 . 989 . 115 ASN HA H 4.429 0.000 . 990 . 115 ASN CB C 38.331 0.000 . 991 . 115 ASN HB2 H 2.789 0.000 . 992 . 115 ASN HB3 H 2.825 0.000 . 993 . 117 SER CA C 58.636 0.000 . 994 . 117 SER HA H 4.329 0.000 . 995 . 117 SER CB C 63.103 0.000 . 996 . 117 SER HB2 H 3.849 0.000 . 997 . 117 SER HB3 H 3.975 0.000 . 998 . 118 GLU N N 123.518 0.000 . 999 . 118 GLU H H 7.751 0.001 . 1000 . 118 GLU HA H 4.735 0.000 . 1001 . 119 PRO CD C 50.759 0.000 . 1002 . 119 PRO HA H 4.743 0.000 . 1003 . 119 PRO CB C 33.073 0.000 . 1004 . 119 PRO HB2 H 1.908 0.000 . 1005 . 119 PRO HB3 H 2.716 0.000 . 1006 . 119 PRO CG C 28.290 0.000 . 1007 . 119 PRO HG2 H 1.770 0.000 . 1008 . 119 PRO HG3 H 1.888 0.000 . 1009 . 119 PRO HD2 H 3.453 0.000 . 1010 . 119 PRO HD3 H 3.828 0.000 . 1011 . 120 LYS N N 119.277 0.000 . 1012 . 120 LYS H H 9.670 0.000 . 1013 . 120 LYS CA C 58.047 0.000 . 1014 . 120 LYS HA H 4.208 0.000 . 1015 . 120 LYS CB C 32.416 0.000 . 1016 . 120 LYS HB2 H 1.300 0.000 . 1017 . 120 LYS HB3 H 1.585 0.000 . 1018 . 120 LYS CG C 25.203 0.000 . 1019 . 120 LYS HG2 H 1.505 0.000 . 1020 . 120 LYS HG3 H 1.556 0.000 . 1021 . 120 LYS CD C 28.421 0.000 . 1022 . 120 LYS HD2 H 1.603 0.000 . 1023 . 120 LYS HD3 H 1.703 0.000 . 1024 . 120 LYS CE C 42.599 0.000 . 1025 . 120 LYS HE2 H 2.955 0.000 . 1026 . 120 LYS HE3 H 3.009 0.000 . 1027 . 121 HIS N N 115.615 0.000 . 1028 . 121 HIS H H 8.417 0.000 . 1029 . 121 HIS CA C 56.111 0.000 . 1030 . 121 HIS HA H 5.464 0.000 . 1031 . 121 HIS CB C 31.445 0.000 . 1032 . 121 HIS HB2 H 2.546 0.000 . 1033 . 121 HIS HB3 H 2.957 0.000 . 1034 . 121 HIS CD2 C 127.476 0.000 . 1035 . 121 HIS HD1 H 11.415 0.000 . 1036 . 121 HIS CE1 C 139.362 0.000 . 1037 . 121 HIS HD2 H 6.658 0.000 . 1038 . 121 HIS HE1 H 7.652 0.000 . 1039 . 122 LEU N N 128.337 0.000 . 1040 . 122 LEU H H 9.428 0.002 . 1041 . 122 LEU HA H 4.784 0.003 . 1042 . 122 LEU CB C 46.480 0.000 . 1043 . 122 LEU HB2 H 1.250 0.000 . 1044 . 122 LEU HB3 H 1.586 0.000 . 1045 . 122 LEU CG C 27.362 0.000 . 1046 . 122 LEU HG H 1.147 0.000 . 1047 . 122 LEU HD1 H 0.465 0.000 . 1048 . 122 LEU HD2 H 0.218 0.000 . 1049 . 122 LEU CD1 C 22.910 0.000 . 1050 . 122 LEU CD2 C 26.007 0.000 . 1051 . 123 LEU N N 132.386 0.000 . 1052 . 123 LEU H H 8.975 0.000 . 1053 . 123 LEU CA C 54.597 0.000 . 1054 . 123 LEU HA H 5.053 0.000 . 1055 . 123 LEU CB C 44.846 0.000 . 1056 . 123 LEU HB2 H 1.250 0.000 . 1057 . 123 LEU HB3 H 1.827 0.000 . 1058 . 123 LEU HD1 H 0.933 0.000 . 1059 . 123 LEU HD2 H 0.686 0.000 . 1060 . 123 LEU CD1 C 28.726 0.000 . 1061 . 123 LEU CD2 C 25.036 0.000 . 1062 . 124 VAL N N 118.121 0.000 . 1063 . 124 VAL H H 9.367 0.001 . 1064 . 124 VAL CA C 59.607 0.000 . 1065 . 124 VAL HA H 4.987 0.000 . 1066 . 124 VAL CB C 35.169 0.000 . 1067 . 124 VAL HB H 2.192 0.000 . 1068 . 124 VAL HG1 H 0.694 0.000 . 1069 . 124 VAL HG2 H 0.992 0.000 . 1070 . 124 VAL CG1 C 22.899 0.000 . 1071 . 124 VAL CG2 C 20.375 0.000 . 1072 . 125 MET N N 123.807 0.000 . 1073 . 125 MET H H 8.464 0.000 . 1074 . 125 MET CA C 55.528 0.000 . 1075 . 125 MET HA H 5.528 0.000 . 1076 . 125 MET CB C 36.883 0.000 . 1077 . 125 MET HB2 H 1.776 0.000 . 1078 . 125 MET HB3 H 1.893 0.000 . 1079 . 125 MET CG C 31.833 0.000 . 1080 . 125 MET HG2 H 1.910 0.000 . 1081 . 125 MET HG3 H 2.312 0.000 . 1082 . 125 MET HE H 1.066 0.000 . 1083 . 125 MET CE C 16.879 0.000 . 1084 . 126 LYS N N 122.747 0.000 . 1085 . 126 LYS H H 8.475 0.000 . 1086 . 126 LYS CA C 53.003 0.000 . 1087 . 126 LYS HA H 5.491 0.000 . 1088 . 126 LYS CB C 37.272 0.000 . 1089 . 126 LYS HB2 H 1.030 0.000 . 1090 . 126 LYS HB3 H 1.221 0.000 . 1091 . 126 LYS HG2 H 0.985 0.000 . 1092 . 127 GLY N N 106.940 0.000 . 1093 . 127 GLY H H 8.314 0.000 . 1094 . 127 GLY HA3 H 5.110 0.000 . 1095 . 128 ALA N N 126.988 0.000 . 1096 . 128 ALA H H 8.711 0.000 . 1097 . 128 ALA CA C 50.867 0.000 . 1098 . 128 ALA HA H 4.907 0.000 . 1099 . 128 ALA HB H 1.674 0.000 . 1100 . 128 ALA CB C 18.432 0.000 . 1101 . 129 PRO CD C 50.867 0.000 . 1102 . 129 PRO CA C 67.570 0.000 . 1103 . 129 PRO HA H 3.788 0.000 . 1104 . 129 PRO CB C 32.416 0.000 . 1105 . 129 PRO HB2 H 1.360 0.001 . 1106 . 129 PRO HB3 H 1.878 0.000 . 1107 . 129 PRO CG C 28.920 0.000 . 1108 . 129 PRO HG2 H 1.495 0.000 . 1109 . 129 PRO HG3 H 1.725 0.000 . 1110 . 129 PRO HD2 H 3.950 0.000 . 1111 . 129 PRO HD3 H 4.401 0.000 . 1112 . 130 GLU N N 116.193 0.000 . 1113 . 130 GLU H H 9.940 0.000 . 1114 . 130 GLU CA C 59.607 0.000 . 1115 . 130 GLU HA H 3.968 0.000 . 1116 . 130 GLU CB C 28.726 0.000 . 1117 . 130 GLU HB2 H 2.048 0.000 . 1118 . 130 GLU HB3 H 2.209 0.000 . 1119 . 130 GLU CG C 36.883 0.000 . 1120 . 130 GLU HG2 H 2.348 0.000 . 1121 . 130 GLU HG3 H 2.407 0.000 . 1122 . 131 ARG N N 117.542 0.000 . 1123 . 131 ARG H H 7.041 0.000 . 1124 . 131 ARG CA C 56.888 0.000 . 1125 . 131 ARG HA H 4.289 0.000 . 1126 . 131 ARG CB C 29.503 0.000 . 1127 . 131 ARG HB2 H 2.035 0.000 . 1128 . 131 ARG HB3 H 2.070 0.000 . 1129 . 131 ARG CG C 27.172 0.000 . 1130 . 131 ARG HG2 H 1.810 0.000 . 1131 . 131 ARG CD C 42.710 0.000 . 1132 . 131 ARG HD2 H 3.314 0.000 . 1133 . 131 ARG HD3 H 3.374 0.000 . 1134 . 132 ILE N N 118.795 0.000 . 1135 . 132 ILE H H 7.849 0.002 . 1136 . 132 ILE CA C 61.161 0.000 . 1137 . 132 ILE HA H 3.673 0.000 . 1138 . 132 ILE CB C 35.718 0.000 . 1139 . 132 ILE HB H 2.159 0.000 . 1140 . 132 ILE HG2 H 0.846 0.000 . 1141 . 132 ILE CG2 C 18.044 0.000 . 1142 . 132 ILE CG1 C 26.978 0.000 . 1143 . 132 ILE HG12 H 0.956 0.000 . 1144 . 132 ILE HG13 H 1.564 0.000 . 1145 . 132 ILE HD1 H 0.432 0.000 . 1146 . 132 ILE CD1 C 9.693 0.000 . 1147 . 133 LEU N N 122.265 0.000 . 1148 . 133 LEU H H 8.366 0.000 . 1149 . 133 LEU CA C 58.729 0.000 . 1150 . 133 LEU HA H 3.520 0.000 . 1151 . 133 LEU CB C 40.185 0.000 . 1152 . 133 LEU HB2 H 0.656 0.000 . 1153 . 133 LEU HB3 H 1.375 0.000 . 1154 . 133 LEU CG C 25.635 0.000 . 1155 . 133 LEU HG H 1.126 0.000 . 1156 . 133 LEU HD1 H -0.157 0.000 . 1157 . 133 LEU HD2 H 0.070 0.000 . 1158 . 133 LEU CD1 C 22.317 0.000 . 1159 . 133 LEU CD2 C 24.453 0.000 . 1160 . 134 ASP N N 115.133 0.000 . 1161 . 134 ASP H H 7.125 0.000 . 1162 . 134 ASP CA C 56.499 0.000 . 1163 . 134 ASP HA H 4.356 0.000 . 1164 . 134 ASP CB C 41.156 0.000 . 1165 . 134 ASP HB2 H 2.656 0.000 . 1166 . 134 ASP HB3 H 2.684 0.000 . 1167 . 135 ARG N N 116.868 0.000 . 1168 . 135 ARG H H 7.387 0.002 . 1169 . 135 ARG CA C 55.528 0.000 . 1170 . 135 ARG HA H 4.498 0.000 . 1171 . 135 ARG CB C 30.474 0.000 . 1172 . 135 ARG HB2 H 1.697 0.000 . 1173 . 135 ARG HB3 H 2.220 0.000 . 1174 . 135 ARG CG C 27.755 0.000 . 1175 . 135 ARG HG2 H 1.528 0.000 . 1176 . 135 ARG HG3 H 1.784 0.000 . 1177 . 135 ARG CD C 43.098 0.000 . 1178 . 135 ARG HD2 H 2.857 0.000 . 1179 . 135 ARG HD3 H 3.065 0.000 . 1180 . 136 CYS N N 116.386 0.000 . 1181 . 136 CYS H H 7.699 0.001 . 1182 . 136 CYS CA C 59.413 0.000 . 1183 . 136 CYS HA H 4.865 0.000 . 1184 . 136 CYS CB C 30.862 0.000 . 1185 . 136 CYS HB2 H 2.870 0.000 . 1186 . 136 CYS HB3 H 2.986 0.000 . 1187 . 137 SER N N 113.783 0.000 . 1188 . 137 SER H H 8.981 0.001 . 1189 . 137 SER CA C 57.470 0.000 . 1190 . 137 SER HA H 4.854 0.000 . 1191 . 137 SER CB C 64.657 0.000 . 1192 . 137 SER HB2 H 3.807 0.000 . 1193 . 137 SER HB3 H 4.041 0.000 . 1194 . 138 SER N N 120.916 0.000 . 1195 . 138 SER H H 8.325 0.001 . 1196 . 138 SER CA C 56.936 0.000 . 1197 . 138 SER HA H 5.316 0.000 . 1198 . 138 SER CB C 67.076 0.000 . 1199 . 138 SER HB2 H 3.784 0.000 . 1200 . 138 SER HB3 H 3.837 0.000 . 1201 . 139 ILE N N 121.301 0.000 . 1202 . 139 ILE H H 9.723 0.001 . 1203 . 139 ILE CA C 58.636 0.000 . 1204 . 139 ILE HA H 5.588 0.000 . 1205 . 139 ILE CB C 41.933 0.000 . 1206 . 139 ILE HB H 1.762 0.000 . 1207 . 139 ILE HG2 H 0.891 0.000 . 1208 . 139 ILE CG2 C 15.519 0.000 . 1209 . 139 ILE CG1 C 28.338 0.000 . 1210 . 139 ILE HG12 H 0.993 0.000 . 1211 . 139 ILE HG13 H 1.968 0.000 . 1212 . 139 ILE HD1 H 0.992 0.000 . 1213 . 139 ILE CD1 C 14.936 0.000 . 1214 . 140 LEU N N 129.687 0.000 . 1215 . 140 LEU H H 8.161 0.000 . 1216 . 140 LEU CA C 53.586 0.000 . 1217 . 140 LEU HA H 4.407 0.000 . 1218 . 140 LEU CB C 44.264 0.000 . 1219 . 140 LEU HB2 H 1.021 0.000 . 1220 . 140 LEU HB3 H 1.866 0.000 . 1221 . 140 LEU CG C 26.978 0.000 . 1222 . 140 LEU HG H 1.281 0.000 . 1223 . 140 LEU HD1 H 0.671 0.000 . 1224 . 140 LEU HD2 H 0.775 0.000 . 1225 . 140 LEU CD1 C 23.482 0.000 . 1226 . 140 LEU CD2 C 27.172 0.000 . 1227 . 141 LEU N N 126.612 0.000 . 1228 . 141 LEU H H 8.667 0.000 . 1229 . 141 LEU HA H 4.785 0.000 . 1230 . 141 LEU CB C 44.932 0.000 . 1231 . 141 LEU HB2 H 1.293 0.000 . 1232 . 141 LEU HB3 H 1.595 0.000 . 1233 . 141 LEU CG C 26.590 0.000 . 1234 . 141 LEU HG H 1.405 0.000 . 1235 . 141 LEU HD1 H 0.825 0.000 . 1236 . 141 LEU HD2 H 0.788 0.000 . 1237 . 141 LEU CD1 C 25.813 0.000 . 1238 . 141 LEU CD2 C 24.541 0.000 . 1239 . 142 HIS N N 125.928 0.000 . 1240 . 142 HIS H H 9.664 0.000 . 1241 . 142 HIS CA C 56.888 0.000 . 1242 . 142 HIS HA H 4.268 0.000 . 1243 . 142 HIS CB C 27.949 0.000 . 1244 . 142 HIS HB2 H 3.147 0.000 . 1245 . 142 HIS HB3 H 3.176 0.000 . 1246 . 142 HIS CD2 C 119.553 0.000 . 1247 . 142 HIS CE1 C 138.430 0.000 . 1248 . 142 HIS HD2 H 6.861 0.000 . 1249 . 142 HIS HE1 H 7.760 0.005 . 1250 . 143 GLY N N 100.193 0.000 . 1251 . 143 GLY H H 7.489 0.000 . 1252 . 143 GLY CA C 46.206 0.000 . 1253 . 143 GLY HA2 H 3.203 0.000 . 1254 . 143 GLY HA3 H 4.171 0.000 . 1255 . 144 LYS N N 122.844 0.000 . 1256 . 144 LYS H H 7.991 0.000 . 1257 . 144 LYS CA C 54.651 0.000 . 1258 . 144 LYS HA H 4.686 0.000 . 1259 . 144 LYS CB C 35.162 0.000 . 1260 . 144 LYS HB2 H 1.792 0.000 . 1261 . 144 LYS HB3 H 1.873 0.000 . 1262 . 144 LYS CG C 24.710 0.000 . 1263 . 144 LYS HG2 H 1.410 0.000 . 1264 . 144 LYS HG3 H 1.468 0.000 . 1265 . 144 LYS CD C 28.920 0.000 . 1266 . 144 LYS HD2 H 1.725 0.000 . 1267 . 144 LYS CE C 42.390 0.000 . 1268 . 144 LYS HE2 H 3.044 0.000 . 1269 . 145 GLU N N 126.217 0.000 . 1270 . 145 GLU H H 8.844 0.001 . 1271 . 145 GLU CA C 57.082 0.000 . 1272 . 145 GLU HA H 4.635 0.000 . 1273 . 145 GLU CB C 30.687 0.000 . 1274 . 145 GLU HB2 H 1.910 0.000 . 1275 . 145 GLU CG C 37.660 0.000 . 1276 . 145 GLU HG2 H 2.313 0.000 . 1277 . 146 GLN N N 124.000 0.000 . 1278 . 146 GLN H H 9.178 0.000 . 1279 . 146 GLN CA C 52.615 0.000 . 1280 . 146 GLN HA H 5.109 0.000 . 1281 . 146 GLN CB C 30.474 0.000 . 1282 . 146 GLN HB2 H 1.858 0.000 . 1283 . 146 GLN HB3 H 2.187 0.000 . 1284 . 146 GLN CG C 32.805 0.000 . 1285 . 146 GLN HG2 H 2.298 0.000 . 1286 . 146 GLN HG3 H 2.348 0.000 . 1287 . 146 GLN NE2 N 112.723 0.000 . 1288 . 146 GLN HE21 H 6.937 0.000 . 1289 . 146 GLN HE22 H 7.670 0.000 . 1290 . 147 PRO CD C 50.679 0.000 . 1291 . 147 PRO CA C 63.297 0.000 . 1292 . 147 PRO HA H 4.459 0.000 . 1293 . 147 PRO CB C 32.028 0.000 . 1294 . 147 PRO HB2 H 1.864 0.000 . 1295 . 147 PRO HB3 H 2.407 0.000 . 1296 . 147 PRO CG C 28.046 0.000 . 1297 . 147 PRO HG2 H 2.011 0.000 . 1298 . 147 PRO HG3 H 2.187 0.000 . 1299 . 147 PRO HD2 H 3.681 0.000 . 1300 . 147 PRO HD3 H 3.880 0.000 . 1301 . 148 LEU N N 125.446 0.000 . 1302 . 148 LEU H H 7.817 0.000 . 1303 . 148 LEU CA C 54.946 0.000 . 1304 . 148 LEU HA H 4.188 0.000 . 1305 . 148 LEU CB C 41.567 0.000 . 1306 . 148 LEU HB2 H 0.964 0.000 . 1307 . 148 LEU HB3 H 1.515 0.000 . 1308 . 148 LEU CG C 27.561 0.000 . 1309 . 148 LEU HG H 1.324 0.000 . 1310 . 148 LEU HD1 H 0.641 0.000 . 1311 . 148 LEU HD2 H 0.663 0.000 . 1312 . 148 LEU CD1 C 24.662 0.000 . 1313 . 148 LEU CD2 C 25.424 0.000 . 1314 . 149 ASP N N 125.639 0.000 . 1315 . 149 ASP H H 7.181 0.001 . 1316 . 149 ASP HA H 4.740 0.000 . 1317 . 149 ASP CB C 42.525 0.000 . 1318 . 149 ASP HB2 H 2.627 0.000 . 1319 . 149 ASP HB3 H 3.162 0.000 . 1320 . 150 GLU N N 118.314 0.000 . 1321 . 150 GLU H H 8.563 0.001 . 1322 . 150 GLU CA C 60.189 0.000 . 1323 . 150 GLU HA H 3.858 0.000 . 1324 . 150 GLU CB C 29.309 0.000 . 1325 . 150 GLU HB2 H 2.011 0.000 . 1326 . 150 GLU HB3 H 2.063 0.000 . 1327 . 150 GLU CG C 36.689 0.000 . 1328 . 150 GLU HG2 H 2.355 0.000 . 1329 . 151 GLU N N 120.048 0.000 . 1330 . 151 GLU H H 8.163 0.000 . 1331 . 151 GLU CA C 59.788 0.000 . 1332 . 151 GLU HA H 4.114 0.000 . 1333 . 151 GLU CB C 29.114 0.000 . 1334 . 151 GLU HB2 H 2.070 0.000 . 1335 . 151 GLU HB3 H 2.158 0.000 . 1336 . 151 GLU CG C 36.689 0.000 . 1337 . 151 GLU HG2 H 2.230 0.000 . 1338 . 152 LEU N N 123.807 0.000 . 1339 . 152 LEU H H 8.483 0.000 . 1340 . 152 LEU CA C 56.888 0.000 . 1341 . 152 LEU HA H 4.378 0.000 . 1342 . 152 LEU CB C 42.127 0.000 . 1343 . 152 LEU HB2 H 1.431 0.000 . 1344 . 152 LEU HB3 H 1.974 0.000 . 1345 . 152 LEU CG C 28.232 0.000 . 1346 . 152 LEU HG H 1.975 0.000 . 1347 . 152 LEU HD1 H 1.053 0.000 . 1348 . 152 LEU HD2 H 0.935 0.000 . 1349 . 152 LEU CD1 C 26.007 0.000 . 1350 . 152 LEU CD2 C 22.511 0.000 . 1351 . 153 LYS N N 121.880 0.000 . 1352 . 153 LYS H H 8.474 0.001 . 1353 . 153 LYS CA C 61.161 0.000 . 1354 . 153 LYS HA H 3.800 0.000 . 1355 . 153 LYS CB C 31.833 0.000 . 1356 . 153 LYS HB2 H 1.843 0.000 . 1357 . 153 LYS CG C 27.240 0.000 . 1358 . 153 LYS HG2 H 1.000 0.000 . 1359 . 153 LYS CD C 29.530 0.008 . 1360 . 153 LYS HD2 H 1.517 0.000 . 1361 . 153 LYS HD3 H 1.542 0.000 . 1362 . 153 LYS CE C 41.933 0.000 . 1363 . 153 LYS HE2 H 2.715 0.000 . 1364 . 153 LYS HE3 H 2.744 0.000 . 1365 . 154 ASP N N 121.880 0.000 . 1366 . 154 ASP H H 8.219 0.001 . 1367 . 154 ASP CA C 57.565 0.000 . 1368 . 154 ASP HA H 4.415 0.000 . 1369 . 154 ASP CB C 40.573 0.000 . 1370 . 154 ASP HB2 H 2.641 0.000 . 1371 . 154 ASP HB3 H 2.826 0.000 . 1372 . 155 ALA N N 124.289 0.000 . 1373 . 155 ALA H H 8.000 0.001 . 1374 . 155 ALA CA C 55.320 0.000 . 1375 . 155 ALA HA H 4.152 0.000 . 1376 . 155 ALA HB H 1.887 0.000 . 1377 . 155 ALA CB C 18.238 0.000 . 1378 . 156 PHE N N 122.265 0.000 . 1379 . 156 PHE H H 8.388 0.000 . 1380 . 156 PHE CA C 59.995 0.000 . 1381 . 156 PHE HA H 2.571 0.000 . 1382 . 156 PHE CB C 37.660 0.000 . 1383 . 156 PHE HB2 H 2.682 0.000 . 1384 . 156 PHE HB3 H 3.357 0.000 . 1385 . 156 PHE HD1 H 6.788 0.000 . 1386 . 156 PHE HE1 H 6.890 0.000 . 1387 . 156 PHE CD1 C 132.137 0.000 . 1388 . 156 PHE CE1 C 130.739 0.000 . 1389 . 156 PHE CZ C 128.875 0.000 . 1390 . 156 PHE HZ H 6.558 0.001 . 1391 . 157 GLN N N 121.880 0.000 . 1392 . 157 GLN H H 8.200 0.000 . 1393 . 157 GLN CA C 58.636 0.000 . 1394 . 157 GLN HA H 3.709 0.000 . 1395 . 157 GLN CB C 27.949 0.000 . 1396 . 157 GLN HB2 H 2.144 0.000 . 1397 . 157 GLN HB3 H 2.254 0.000 . 1398 . 157 GLN CG C 33.290 0.000 . 1399 . 157 GLN HG2 H 2.437 0.000 . 1400 . 157 GLN HG3 H 2.539 0.000 . 1401 . 157 GLN NE2 N 110.410 0.000 . 1402 . 157 GLN HE21 H 6.922 0.000 . 1403 . 157 GLN HE22 H 7.198 0.000 . 1404 . 158 ASN N N 117.350 0.000 . 1405 . 158 ASN H H 8.220 0.000 . 1406 . 158 ASN CA C 56.111 0.000 . 1407 . 158 ASN HA H 4.259 0.000 . 1408 . 158 ASN CB C 38.049 0.000 . 1409 . 158 ASN HB2 H 2.642 0.000 . 1410 . 158 ASN ND2 N 113.783 0.000 . 1411 . 158 ASN HD21 H 6.835 0.000 . 1412 . 158 ASN HD22 H 7.456 0.000 . 1413 . 159 ALA N N 124.289 0.000 . 1414 . 159 ALA H H 7.525 0.000 . 1415 . 159 ALA CA C 54.946 0.000 . 1416 . 159 ALA HA H 3.726 0.000 . 1417 . 159 ALA HB H 0.116 0.000 . 1418 . 159 ALA CB C 16.172 0.000 . 1419 . 160 TYR N N 118.603 0.000 . 1420 . 160 TYR H H 8.180 0.001 . 1421 . 160 TYR CA C 58.830 0.000 . 1422 . 160 TYR HA H 3.960 0.000 . 1423 . 160 TYR CB C 37.466 0.000 . 1424 . 160 TYR HB2 H 2.304 0.000 . 1425 . 160 TYR HB3 H 2.700 0.000 . 1426 . 160 TYR HD1 H 6.934 0.000 . 1427 . 160 TYR HE1 H 6.853 0.000 . 1428 . 160 TYR CD1 C 131.904 0.000 . 1429 . 160 TYR CE1 C 118.155 0.000 . 1430 . 161 LEU N N 120.530 0.000 . 1431 . 161 LEU H H 8.238 0.000 . 1432 . 161 LEU CA C 57.470 0.000 . 1433 . 161 LEU HA H 3.732 0.000 . 1434 . 161 LEU CB C 41.544 0.000 . 1435 . 161 LEU HB2 H 1.338 0.000 . 1436 . 161 LEU HB3 H 1.711 0.000 . 1437 . 161 LEU CG C 26.784 0.000 . 1438 . 161 LEU HG H 1.638 0.000 . 1439 . 161 LEU HD1 H 0.780 0.000 . 1440 . 161 LEU HD2 H 0.678 0.000 . 1441 . 161 LEU CD1 C 25.089 0.000 . 1442 . 161 LEU CD2 C 22.981 0.000 . 1443 . 162 GLU N N 122.940 0.000 . 1444 . 162 GLU H H 7.981 0.000 . 1445 . 162 GLU CA C 59.487 0.000 . 1446 . 162 GLU HA H 3.850 0.000 . 1447 . 162 GLU CB C 29.114 0.000 . 1448 . 162 GLU HB2 H 1.814 0.000 . 1449 . 162 GLU HB3 H 2.026 0.000 . 1450 . 162 GLU CG C 35.607 0.000 . 1451 . 162 GLU HG2 H 1.908 0.000 . 1452 . 162 GLU HG3 H 2.033 0.000 . 1453 . 163 LEU N N 118.314 0.000 . 1454 . 163 LEU H H 8.126 0.000 . 1455 . 163 LEU CA C 57.665 0.000 . 1456 . 163 LEU HA H 3.836 0.000 . 1457 . 163 LEU CB C 41.350 0.000 . 1458 . 163 LEU HB2 H 1.255 0.000 . 1459 . 163 LEU HB3 H 1.711 0.000 . 1460 . 163 LEU CG C 26.395 0.000 . 1461 . 163 LEU HG H 1.880 0.000 . 1462 . 163 LEU HD1 H 0.712 0.000 . 1463 . 163 LEU HD2 H 0.459 0.000 . 1464 . 163 LEU CD1 C 24.259 0.000 . 1465 . 163 LEU CD2 C 21.928 0.000 . 1466 . 164 GLY N N 106.844 0.000 . 1467 . 164 GLY H H 8.425 0.000 . 1468 . 165 GLY N N 112.530 0.000 . 1469 . 165 GLY H H 8.154 0.000 . 1470 . 165 GLY CA C 46.458 0.000 . 1471 . 165 GLY HA2 H 3.829 0.000 . 1472 . 165 GLY HA3 H 4.150 0.000 . 1473 . 166 LEU N N 120.627 0.000 . 1474 . 166 LEU H H 7.267 0.000 . 1475 . 166 LEU CA C 55.157 0.000 . 1476 . 166 LEU HA H 4.323 0.000 . 1477 . 166 LEU CB C 42.321 0.000 . 1478 . 166 LEU HB2 H 1.660 0.000 . 1479 . 166 LEU HB3 H 1.923 0.000 . 1480 . 166 LEU CG C 26.007 0.000 . 1481 . 166 LEU HG H 1.829 0.000 . 1482 . 166 LEU HD1 H 0.589 0.000 . 1483 . 166 LEU HD2 H 0.795 0.000 . 1484 . 166 LEU CD1 C 25.326 0.000 . 1485 . 166 LEU CD2 C 21.928 0.000 . 1486 . 167 GLY N N 107.808 0.000 . 1487 . 167 GLY H H 8.125 0.000 . 1488 . 167 GLY CA C 45.040 0.000 . 1489 . 167 GLY HA2 H 3.777 0.000 . 1490 . 167 GLY HA3 H 4.215 0.000 . 1491 . 169 ARG CA C 54.946 0.000 . 1492 . 169 ARG HA H 4.541 0.000 . 1493 . 169 ARG CB C 30.862 0.000 . 1494 . 169 ARG HB2 H 1.775 0.004 . 1495 . 169 ARG CG C 27.172 0.000 . 1496 . 169 ARG HG2 H 1.527 0.000 . 1497 . 169 ARG HG3 H 1.689 0.000 . 1498 . 169 ARG CD C 43.098 0.000 . 1499 . 169 ARG HD2 H 3.066 0.000 . 1500 . 169 ARG HD3 H 3.147 0.000 . 1501 . 170 VAL N N 125.831 0.000 . 1502 . 170 VAL H H 8.982 0.000 . 1503 . 170 VAL CA C 62.371 0.000 . 1504 . 170 VAL HA H 4.480 0.000 . 1505 . 170 VAL CB C 33.776 0.000 . 1506 . 170 VAL HB H 2.174 0.000 . 1507 . 170 VAL HG1 H 1.012 0.006 . 1508 . 170 VAL HG2 H 1.002 0.005 . 1509 . 170 VAL CG1 C 25.230 0.000 . 1510 . 170 VAL CG2 C 21.734 0.000 . 1511 . 171 LEU N N 126.410 0.000 . 1512 . 171 LEU H H 8.916 0.000 . 1513 . 171 LEU HA H 4.840 0.000 . 1514 . 171 LEU CB C 47.371 0.000 . 1515 . 171 LEU HB2 H 1.102 0.000 . 1516 . 171 LEU HB3 H 1.683 0.000 . 1517 . 171 LEU CG C 28.143 0.000 . 1518 . 171 LEU HG H 1.439 0.000 . 1519 . 171 LEU HD1 H 0.502 0.000 . 1520 . 171 LEU HD2 H 0.333 0.000 . 1521 . 171 LEU CD1 C 25.618 0.000 . 1522 . 171 LEU CD2 C 24.259 0.000 . 1523 . 172 GLY N N 105.880 0.000 . 1524 . 172 GLY H H 9.143 0.000 . 1525 . 172 GLY CA C 44.264 0.000 . 1526 . 172 GLY HA2 H 3.264 0.000 . 1527 . 172 GLY HA3 H 5.469 0.000 . 1528 . 173 PHE N N 117.832 0.000 . 1529 . 173 PHE H H 8.242 0.000 . 1530 . 173 PHE CA C 57.634 0.000 . 1531 . 173 PHE HA H 5.104 0.000 . 1532 . 173 PHE CB C 41.739 0.000 . 1533 . 173 PHE HB2 H 2.617 0.000 . 1534 . 173 PHE HB3 H 2.732 0.000 . 1535 . 173 PHE HD1 H 7.242 0.000 . 1536 . 173 PHE HE1 H 7.117 0.000 . 1537 . 173 PHE CD1 C 131.904 0.000 . 1538 . 173 PHE CE1 C 131.438 0.000 . 1539 . 173 PHE CZ C 128.176 0.000 . 1540 . 173 PHE HZ H 6.956 0.000 . 1541 . 174 CYS N N 121.012 0.000 . 1542 . 174 CYS H H 9.648 0.000 . 1543 . 174 CYS CA C 55.917 0.000 . 1544 . 174 CYS HA H 5.011 0.000 . 1545 . 174 CYS CB C 34.046 0.000 . 1546 . 174 CYS HB2 H 2.426 0.005 . 1547 . 174 CYS HB3 H 3.060 0.000 . 1548 . 175 HIS N N 115.904 0.000 . 1549 . 175 HIS H H 8.989 0.001 . 1550 . 175 HIS CA C 53.003 0.000 . 1551 . 175 HIS HA H 5.406 0.000 . 1552 . 175 HIS CB C 35.912 0.000 . 1553 . 175 HIS HB2 H 3.011 0.000 . 1554 . 175 HIS HB3 H 3.602 0.000 . 1555 . 175 HIS CD2 C 113.727 0.000 . 1556 . 175 HIS HD1 H 11.745 0.000 . 1557 . 175 HIS CE1 C 137.265 0.000 . 1558 . 175 HIS HD2 H 6.751 0.001 . 1559 . 175 HIS HE1 H 7.462 0.000 . 1560 . 176 LEU N N 118.506 0.000 . 1561 . 176 LEU H H 9.055 0.000 . 1562 . 176 LEU CA C 56.111 0.000 . 1563 . 176 LEU HA H 4.518 0.000 . 1564 . 176 LEU CB C 47.253 0.000 . 1565 . 176 LEU HB2 H 1.609 0.000 . 1566 . 176 LEU HB3 H 1.688 0.000 . 1567 . 176 LEU CG C 27.366 0.000 . 1568 . 176 LEU HG H 1.269 0.000 . 1569 . 176 LEU HD1 H 1.110 0.000 . 1570 . 176 LEU HD2 H 0.869 0.000 . 1571 . 176 LEU CD1 C 23.288 0.000 . 1572 . 176 LEU CD2 C 26.590 0.000 . 1573 . 177 LEU N N 130.940 0.000 . 1574 . 177 LEU H H 8.730 0.000 . 1575 . 177 LEU CA C 53.780 0.000 . 1576 . 177 LEU HA H 4.407 0.000 . 1577 . 177 LEU CB C 38.825 0.000 . 1578 . 177 LEU HB2 H 1.147 0.000 . 1579 . 177 LEU HB3 H 1.785 0.000 . 1580 . 177 LEU CG C 27.561 0.000 . 1581 . 177 LEU HG H 1.419 0.000 . 1582 . 177 LEU HD1 H 0.641 0.000 . 1583 . 177 LEU HD2 H 0.590 0.000 . 1584 . 177 LEU CD1 C 24.647 0.000 . 1585 . 177 LEU CD2 C 24.065 0.000 . 1586 . 178 LEU N N 128.337 0.000 . 1587 . 178 LEU H H 7.583 0.000 . 1588 . 178 LEU CA C 53.677 0.000 . 1589 . 178 LEU HA H 4.122 0.000 . 1590 . 178 LEU CB C 39.991 0.000 . 1591 . 178 LEU HB2 H 1.197 0.000 . 1592 . 178 LEU HB3 H 1.637 0.000 . 1593 . 178 LEU CG C 27.366 0.000 . 1594 . 178 LEU HG H 1.322 0.000 . 1595 . 178 LEU HD1 H 0.268 0.000 . 1596 . 178 LEU HD2 H 0.308 0.000 . 1597 . 178 LEU CD1 C 26.269 0.000 . 1598 . 178 LEU CD2 C 24.453 0.000 . 1599 . 179 PRO CD C 50.284 0.000 . 1600 . 179 PRO CA C 63.522 0.000 . 1601 . 179 PRO HA H 4.422 0.000 . 1602 . 179 PRO CB C 32.222 0.000 . 1603 . 179 PRO HB2 H 2.049 0.000 . 1604 . 179 PRO HB3 H 2.481 0.000 . 1605 . 179 PRO CG C 28.532 0.000 . 1606 . 179 PRO HG2 H 2.203 0.000 . 1607 . 179 PRO HG3 H 2.341 0.000 . 1608 . 179 PRO HD2 H 3.705 0.000 . 1609 . 179 PRO HD3 H 4.143 0.000 . 1610 . 180 ASP N N 127.084 0.000 . 1611 . 180 ASP H H 8.876 0.000 . 1612 . 180 ASP CA C 57.564 0.000 . 1613 . 180 ASP HA H 4.473 0.000 . 1614 . 180 ASP CB C 40.962 0.000 . 1615 . 180 ASP HB2 H 2.503 0.000 . 1616 . 180 ASP HB3 H 2.706 0.000 . 1617 . 181 GLU N N 116.964 0.000 . 1618 . 181 GLU H H 9.099 0.000 . 1619 . 181 GLU CA C 59.218 0.000 . 1620 . 181 GLU HA H 3.901 0.000 . 1621 . 181 GLU CB C 29.114 0.000 . 1622 . 181 GLU HB2 H 1.901 0.000 . 1623 . 181 GLU HB3 H 1.996 0.000 . 1624 . 181 GLU CG C 36.724 0.000 . 1625 . 181 GLU HG2 H 2.276 0.000 . 1626 . 182 GLN N N 115.036 0.000 . 1627 . 182 GLN H H 6.688 0.000 . 1628 . 182 GLN CA C 56.305 0.000 . 1629 . 182 GLN HA H 3.989 0.000 . 1630 . 182 GLN CB C 31.445 0.000 . 1631 . 182 GLN HB2 H 1.374 0.000 . 1632 . 182 GLN HB3 H 1.651 0.000 . 1633 . 182 GLN CG C 34.745 0.000 . 1634 . 182 GLN HG2 H 2.056 0.000 . 1635 . 182 GLN HG3 H 2.085 0.000 . 1636 . 182 GLN NE2 N 112.434 0.000 . 1637 . 182 GLN HE21 H 6.777 0.000 . 1638 . 182 GLN HE22 H 7.473 0.000 . 1639 . 183 PHE N N 118.121 0.000 . 1640 . 183 PHE H H 7.537 0.001 . 1641 . 183 PHE CA C 55.137 0.000 . 1642 . 183 PHE HA H 4.187 0.000 . 1643 . 183 PHE CB C 38.822 0.003 . 1644 . 183 PHE HB2 H 2.172 0.000 . 1645 . 183 PHE HB3 H 2.839 0.000 . 1646 . 183 PHE HE1 H 7.198 0.000 . 1647 . 183 PHE CE1 C 130.506 0.000 . 1648 . 183 PHE CZ C 129.341 0.000 . 1649 . 183 PHE HZ H 7.307 0.000 . 1650 . 184 PRO CD C 50.695 0.000 . 1651 . 184 PRO CA C 62.030 0.000 . 1652 . 184 PRO HA H 4.612 0.000 . 1653 . 184 PRO CB C 32.610 0.000 . 1654 . 184 PRO HB2 H 2.011 0.000 . 1655 . 184 PRO HB3 H 2.363 0.000 . 1656 . 184 PRO CG C 27.172 0.000 . 1657 . 184 PRO HG2 H 1.879 0.000 . 1658 . 184 PRO HG3 H 1.938 0.000 . 1659 . 184 PRO HD2 H 3.073 0.000 . 1660 . 184 PRO HD3 H 3.499 0.000 . 1661 . 185 GLU N N 120.074 0.000 . 1662 . 185 GLU H H 8.383 0.002 . 1663 . 185 GLU CA C 59.024 0.000 . 1664 . 185 GLU HA H 4.161 0.000 . 1665 . 185 GLU CB C 29.697 0.000 . 1666 . 185 GLU HB2 H 1.967 0.000 . 1667 . 185 GLU HB3 H 1.996 0.000 . 1668 . 185 GLU CG C 36.883 0.000 . 1669 . 185 GLU HG2 H 2.224 0.000 . 1670 . 185 GLU HG3 H 2.302 0.000 . 1671 . 186 GLY N N 107.615 0.000 . 1672 . 186 GLY H H 7.651 0.001 . 1673 . 186 GLY CA C 44.797 0.000 . 1674 . 186 GLY HA2 H 3.668 0.000 . 1675 . 186 GLY HA3 H 4.275 0.000 . 1676 . 187 PHE N N 124.386 0.000 . 1677 . 187 PHE H H 8.242 0.000 . 1678 . 187 PHE CA C 59.805 0.000 . 1679 . 187 PHE HA H 3.777 0.000 . 1680 . 187 PHE CB C 39.020 0.000 . 1681 . 187 PHE HB2 H 2.102 0.000 . 1682 . 187 PHE HB3 H 3.280 0.000 . 1683 . 188 GLN N N 127.374 0.000 . 1684 . 188 GLN H H 7.487 0.000 . 1685 . 188 GLN CA C 53.851 0.000 . 1686 . 188 GLN HA H 4.333 0.000 . 1687 . 188 GLN CB C 27.366 0.000 . 1688 . 188 GLN HB2 H 1.615 0.000 . 1689 . 188 GLN HB3 H 1.747 0.000 . 1690 . 188 GLN CG C 33.581 0.000 . 1691 . 188 GLN HG2 H 2.165 0.000 . 1692 . 188 GLN NE2 N 113.398 0.000 . 1693 . 188 GLN HE21 H 6.785 0.000 . 1694 . 188 GLN HE22 H 7.438 0.000 . 1695 . 189 PHE N N 127.230 0.000 . 1696 . 189 PHE H H 8.198 0.000 . 1697 . 189 PHE CA C 59.607 0.000 . 1698 . 189 PHE HA H 4.636 0.000 . 1699 . 189 PHE CB C 40.962 0.000 . 1700 . 189 PHE HB2 H 2.707 0.000 . 1701 . 189 PHE HB3 H 2.781 0.000 . 1702 . 189 PHE HD1 H 7.228 0.000 . 1703 . 189 PHE HE1 H 6.605 0.000 . 1704 . 189 PHE CD1 C 132.370 0.000 . 1705 . 189 PHE CE1 C 131.904 0.000 . 1706 . 189 PHE CZ C 128.642 0.000 . 1707 . 189 PHE HZ H 5.844 0.000 . 1708 . 190 ASP N N 126.313 0.000 . 1709 . 190 ASP H H 9.590 0.000 . 1710 . 190 ASP CA C 53.092 0.000 . 1711 . 190 ASP HA H 4.975 0.000 . 1712 . 190 ASP CB C 43.875 0.000 . 1713 . 190 ASP HB2 H 2.341 0.000 . 1714 . 190 ASP HB3 H 2.956 0.000 . 1715 . 191 THR N N 112.627 0.000 . 1716 . 191 THR H H 8.586 0.000 . 1717 . 191 THR CA C 62.520 0.000 . 1718 . 191 THR HA H 4.275 0.000 . 1719 . 191 THR CB C 68.340 0.000 . 1720 . 191 THR HB H 4.553 0.000 . 1721 . 191 THR HG2 H 1.176 0.000 . 1722 . 191 THR CG2 C 21.928 0.000 . 1723 . 192 ASP N N 124.244 0.000 . 1724 . 192 ASP H H 8.710 0.000 . 1725 . 192 ASP CA C 56.305 0.000 . 1726 . 192 ASP HA H 4.707 0.000 . 1727 . 192 ASP CB C 41.635 0.000 . 1728 . 192 ASP HB2 H 2.715 0.000 . 1729 . 192 ASP HB3 H 2.803 0.000 . 1730 . 193 GLU N N 122.554 0.000 . 1731 . 193 GLU H H 7.831 0.000 . 1732 . 193 GLU CA C 55.334 0.000 . 1733 . 193 GLU HA H 4.190 0.000 . 1734 . 193 GLU CB C 29.309 0.000 . 1735 . 193 GLU HB2 H 1.692 0.000 . 1736 . 193 GLU HB3 H 1.821 0.000 . 1737 . 193 GLU CG C 36.113 0.000 . 1738 . 193 GLU HG2 H 2.064 0.000 . 1739 . 193 GLU HG3 H 2.110 0.000 . 1740 . 194 VAL N N 119.952 0.000 . 1741 . 194 VAL H H 7.480 0.000 . 1742 . 194 VAL CA C 64.685 0.000 . 1743 . 194 VAL HA H 3.586 0.000 . 1744 . 194 VAL CB C 30.280 0.000 . 1745 . 194 VAL HB H 1.806 0.000 . 1746 . 194 VAL HG1 H 0.192 0.005 . 1747 . 194 VAL HG2 H 0.665 0.000 . 1748 . 194 VAL CG1 C 21.654 0.000 . 1749 . 194 VAL CG2 C 21.540 0.000 . 1750 . 195 ASN N N 125.928 0.000 . 1751 . 195 ASN H H 7.909 0.001 . 1752 . 195 ASN CA C 51.481 0.000 . 1753 . 195 ASN HA H 4.906 0.000 . 1754 . 195 ASN CB C 36.883 0.000 . 1755 . 195 ASN HB2 H 2.846 0.000 . 1756 . 195 ASN HB3 H 3.426 0.000 . 1757 . 196 PHE N N 114.844 0.000 . 1758 . 196 PHE H H 6.798 0.000 . 1759 . 196 PHE CA C 53.198 0.000 . 1760 . 196 PHE HA H 5.213 0.001 . 1761 . 196 PHE CB C 38.221 0.000 . 1762 . 196 PHE HB2 H 2.700 0.000 . 1763 . 196 PHE HB3 H 2.970 0.000 . 1764 . 196 PHE HD1 H 7.359 0.000 . 1765 . 196 PHE HE1 H 7.029 0.000 . 1766 . 196 PHE CE1 C 130.739 0.000 . 1767 . 196 PHE CD1 C 134.235 0.000 . 1768 . 196 PHE CZ C 128.176 0.000 . 1769 . 196 PHE HZ H 6.883 0.000 . 1770 . 197 PRO CD C 51.061 0.000 . 1771 . 197 PRO CA C 63.464 0.000 . 1772 . 197 PRO HA H 4.297 0.000 . 1773 . 197 PRO CB C 32.874 0.000 . 1774 . 197 PRO HB2 H 1.843 0.000 . 1775 . 197 PRO HB3 H 2.407 0.000 . 1776 . 197 PRO CG C 27.949 0.000 . 1777 . 197 PRO HG2 H 1.965 0.000 . 1778 . 197 PRO HG3 H 2.012 0.000 . 1779 . 197 PRO HD2 H 3.279 0.000 . 1780 . 197 PRO HD3 H 3.865 0.000 . 1781 . 198 VAL N N 110.796 0.000 . 1782 . 198 VAL H H 7.839 0.001 . 1783 . 198 VAL CA C 59.801 0.000 . 1784 . 198 VAL HA H 4.267 0.000 . 1785 . 198 VAL CB C 32.028 0.000 . 1786 . 198 VAL HB H 2.055 0.000 . 1787 . 198 VAL HG1 H 0.670 0.000 . 1788 . 198 VAL HG2 H 0.597 0.000 . 1789 . 198 VAL CG1 C 22.899 0.000 . 1790 . 198 VAL CG2 C 18.627 0.000 . 1791 . 199 ASP N N 118.506 0.000 . 1792 . 199 ASP H H 7.480 0.000 . 1793 . 199 ASP CA C 52.421 0.000 . 1794 . 199 ASP HA H 4.956 0.000 . 1795 . 199 ASP CB C 43.292 0.000 . 1796 . 199 ASP HB2 H 2.590 0.000 . 1797 . 200 ASN N N 114.362 0.000 . 1798 . 200 ASN H H 8.337 0.000 . 1799 . 200 ASN CA C 54.958 0.000 . 1800 . 200 ASN HA H 4.215 0.000 . 1801 . 200 ASN CB C 37.077 0.000 . 1802 . 200 ASN HB2 H 2.883 0.000 . 1803 . 200 ASN HB3 H 3.022 0.000 . 1804 . 200 ASN ND2 N 115.518 0.000 . 1805 . 200 ASN HD21 H 6.830 0.000 . 1806 . 200 ASN HD22 H 7.436 0.000 . 1807 . 201 LEU N N 117.061 0.000 . 1808 . 201 LEU H H 9.189 0.000 . 1809 . 201 LEU CA C 54.169 0.000 . 1810 . 201 LEU HA H 4.400 0.000 . 1811 . 201 LEU CB C 41.350 0.000 . 1812 . 201 LEU HB2 H 1.066 0.000 . 1813 . 201 LEU HB3 H 2.143 0.000 . 1814 . 201 LEU CG C 27.561 0.000 . 1815 . 201 LEU HG H 1.323 0.000 . 1816 . 201 LEU HD1 H 0.569 0.000 . 1817 . 201 LEU HD2 H 0.552 0.000 . 1818 . 201 LEU CD1 C 27.949 0.000 . 1819 . 201 LEU CD2 C 24.647 0.000 . 1820 . 202 CYS N N 119.470 0.000 . 1821 . 202 CYS H H 8.433 0.000 . 1822 . 202 CYS CA C 57.082 0.000 . 1823 . 202 CYS HA H 5.025 0.000 . 1824 . 202 CYS CB C 27.949 0.000 . 1825 . 202 CYS HB2 H 2.534 0.000 . 1826 . 202 CYS HB3 H 3.124 0.000 . 1827 . 203 PHE N N 131.904 0.000 . 1828 . 203 PHE H H 9.693 0.000 . 1829 . 203 PHE CA C 61.355 0.000 . 1830 . 203 PHE HA H 4.048 0.000 . 1831 . 203 PHE CB C 38.707 0.000 . 1832 . 203 PHE HB2 H 2.949 0.000 . 1833 . 203 PHE HB3 H 3.395 0.000 . 1834 . 203 PHE HD1 H 7.246 0.000 . 1835 . 203 PHE HE1 H 7.403 0.000 . 1836 . 203 PHE CD1 C 131.904 0.000 . 1837 . 203 PHE CE1 C 130.273 0.000 . 1838 . 203 PHE CZ C 129.574 0.000 . 1839 . 203 PHE HZ H 7.503 0.000 . 1840 . 204 VAL N N 126.024 0.000 . 1841 . 204 VAL H H 7.861 0.000 . 1842 . 204 VAL CA C 64.268 0.000 . 1843 . 204 VAL HA H 4.194 0.000 . 1844 . 204 VAL CB C 33.444 0.000 . 1845 . 204 VAL HB H 1.059 0.000 . 1846 . 204 VAL HG1 H 0.505 0.000 . 1847 . 204 VAL HG2 H 0.209 0.000 . 1848 . 204 VAL CG1 C 22.899 0.000 . 1849 . 204 VAL CG2 C 21.151 0.000 . 1850 . 205 GLY N N 102.025 0.000 . 1851 . 205 GLY H H 6.819 0.000 . 1852 . 205 GLY CA C 47.759 0.000 . 1853 . 205 GLY HA2 H 4.231 0.000 . 1854 . 205 GLY HA3 H 4.773 0.000 . 1855 . 206 LEU N N 117.027 0.000 . 1856 . 206 LEU H H 9.692 0.000 . 1857 . 206 LEU CA C 53.003 0.000 . 1858 . 206 LEU HA H 6.173 0.000 . 1859 . 206 LEU CB C 45.040 0.000 . 1860 . 206 LEU HB2 H 1.520 0.000 . 1861 . 206 LEU HB3 H 2.129 0.000 . 1862 . 206 LEU CG C 26.978 0.000 . 1863 . 206 LEU HG H 2.458 0.000 . 1864 . 206 LEU HD1 H 0.500 0.000 . 1865 . 206 LEU HD2 H 1.205 0.000 . 1866 . 206 LEU CD1 C 24.259 0.000 . 1867 . 206 LEU CD2 C 24.065 0.000 . 1868 . 207 ILE N N 119.374 0.000 . 1869 . 207 ILE H H 8.967 0.000 . 1870 . 207 ILE CA C 62.909 0.000 . 1871 . 207 ILE HA H 4.839 0.000 . 1872 . 207 ILE CB C 40.962 0.000 . 1873 . 207 ILE HB H 1.758 0.001 . 1874 . 207 ILE HG2 H 1.044 0.000 . 1875 . 207 ILE CG2 C 19.435 0.000 . 1876 . 207 ILE CG1 C 28.143 0.000 . 1877 . 207 ILE HG12 H 0.937 0.000 . 1878 . 207 ILE HG13 H 1.250 0.000 . 1879 . 207 ILE HD1 H -0.055 0.000 . 1880 . 207 ILE CD1 C 11.052 0.000 . 1881 . 208 SER N N 125.253 0.000 . 1882 . 208 SER H H 9.824 0.001 . 1883 . 208 SER CA C 56.339 0.000 . 1884 . 208 SER HA H 6.226 0.000 . 1885 . 208 SER CB C 68.735 0.000 . 1886 . 208 SER HB2 H 3.639 0.000 . 1887 . 208 SER HB3 H 4.093 0.000 . 1888 . 209 MET N N 120.530 0.000 . 1889 . 209 MET H H 9.319 0.000 . 1890 . 209 MET CA C 54.625 0.000 . 1891 . 209 MET HA H 5.316 0.000 . 1892 . 209 MET CB C 37.660 0.000 . 1893 . 209 MET HB2 H 1.755 0.000 . 1894 . 209 MET HB3 H 1.931 0.000 . 1895 . 209 MET CG C 32.222 0.000 . 1896 . 209 MET HG2 H 2.371 0.000 . 1897 . 209 MET HG3 H 2.422 0.000 . 1898 . 209 MET HE H 1.873 0.000 . 1899 . 209 MET CE C 17.073 0.000 . 1900 . 210 ILE N N 118.988 0.000 . 1901 . 210 ILE H H 8.893 0.000 . 1902 . 210 ILE CA C 59.995 0.000 . 1903 . 210 ILE HA H 4.601 0.000 . 1904 . 210 ILE CB C 41.739 0.000 . 1905 . 210 ILE HB H 1.762 0.000 . 1906 . 210 ILE HG2 H 0.870 0.000 . 1907 . 210 ILE CG2 C 17.655 0.000 . 1908 . 210 ILE CG1 C 27.755 0.000 . 1909 . 210 ILE HG12 H 1.203 0.000 . 1910 . 210 ILE HG13 H 1.498 0.000 . 1911 . 210 ILE HD1 H 0.876 0.000 . 1912 . 210 ILE CD1 C 13.771 0.000 . 1913 . 211 ASP N N 125.446 0.000 . 1914 . 211 ASP H H 8.529 0.001 . 1915 . 211 ASP CA C 51.450 0.000 . 1916 . 211 ASP HA H 5.081 0.000 . 1917 . 211 ASP CB C 40.962 0.000 . 1918 . 211 ASP HB2 H 2.429 0.000 . 1919 . 211 ASP HB3 H 2.716 0.000 . 1920 . 212 PRO CD C 50.673 0.000 . 1921 . 212 PRO CA C 61.549 0.000 . 1922 . 212 PRO HA H 4.592 0.000 . 1923 . 212 PRO CB C 30.862 0.000 . 1924 . 212 PRO HB2 H 1.939 0.000 . 1925 . 212 PRO HB3 H 2.239 0.000 . 1926 . 212 PRO CG C 27.366 0.000 . 1927 . 212 PRO HG2 H 1.880 0.000 . 1928 . 212 PRO HG3 H 2.012 0.000 . 1929 . 212 PRO HD2 H 3.680 0.000 . 1930 . 212 PRO HD3 H 3.881 0.000 . 1931 . 213 PRO CD C 50.284 0.000 . 1932 . 213 PRO CA C 64.462 0.000 . 1933 . 213 PRO HA H 4.224 0.000 . 1934 . 213 PRO CB C 32.028 0.000 . 1935 . 213 PRO HB2 H 1.872 0.000 . 1936 . 213 PRO HB3 H 2.187 0.000 . 1937 . 213 PRO CG C 27.172 0.000 . 1938 . 213 PRO HG2 H 1.961 0.000 . 1939 . 213 PRO HD2 H 3.615 0.000 . 1940 . 213 PRO HD3 H 3.769 0.000 . stop_ save_ save_chemical_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Adenosine-5'-triphosphate _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 . 1 ATP H1' H 6.094 0.003 . 2 . 1 ATP H3' H 4.348 0.000 . 3 . 1 ATP H5' H 4.163 0.000 . 4 . 1 ATP H2 H 8.220 0.000 . 5 . 1 ATP H4' H 4.255 0.000 . 6 . 1 ATP H8 H 8.485 0.000 . stop_ save_