data_6236 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for CAPPD*, an Independently Folded Extracellular Domain of Human Amyloid-beta Precursor Protein ; _BMRB_accession_number 6236 _BMRB_flat_file_name bmr6236.str _Entry_type original _Submission_date 2004-06-11 _Accession_date 2004-06-14 _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 Dulubova Irina . . 2 Ho Angela . . 3 Huryeva Iryna . . 4 Sudhof Thomas C. . 5 Rizo Josep . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 751 "13C chemical shifts" 545 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-09-01 original author . stop_ _Original_release_date 2004-09-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Three-Dimensional Structure of an Independently Folded Extracellular Domain of Human Amyloid-beta Precursor Protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15274612 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dulubova Irina . . 2 Ho Angela . . 3 Huryeva Iryna . . 4 Sudhof Thomas C. . 5 Rizo Josep . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 43 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9583 _Page_last 9588 _Year 2004 _Details . loop_ _Keyword 'Amyloid-beta Precursor Protein' 'Alzheimer's disease' CAPPD CAPPD* 'four alpha-helices' 'three-helix bundle' stop_ save_ ################################## # Molecular system description # ################################## save_system_APP _Saveframe_category molecular_system _Mol_system_name APP770 _Abbreviation_common APP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'APP fragment, CAPPD*' $APP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details ; recombinant fragment containing an independently folded domain of Amyloid-beta Precursor Protein (residues 460-576 of human APP770) ; save_ ######################## # Monomeric polymers # ######################## save_APP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Amyloid-beta Precursor Protein' _Abbreviation_common APP _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; RVEAMLNDRRRLALENYITA LQAVPPRPRHVFNMLKKYVR AEQKDRQHTLKHFEHVRMVD PKKAAQIRSQVMTHLRVIYE RMNQSLSLLYNVPAVAEEIQ DEVDELLQKEQNYSDDV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 460 ARG 2 461 VAL 3 462 GLU 4 463 ALA 5 464 MET 6 465 LEU 7 466 ASN 8 467 ASP 9 468 ARG 10 469 ARG 11 470 ARG 12 471 LEU 13 472 ALA 14 473 LEU 15 474 GLU 16 475 ASN 17 476 TYR 18 477 ILE 19 478 THR 20 479 ALA 21 480 LEU 22 481 GLN 23 482 ALA 24 483 VAL 25 484 PRO 26 485 PRO 27 486 ARG 28 487 PRO 29 488 ARG 30 489 HIS 31 490 VAL 32 491 PHE 33 492 ASN 34 493 MET 35 494 LEU 36 495 LYS 37 496 LYS 38 497 TYR 39 498 VAL 40 499 ARG 41 500 ALA 42 501 GLU 43 502 GLN 44 503 LYS 45 504 ASP 46 505 ARG 47 506 GLN 48 507 HIS 49 508 THR 50 509 LEU 51 510 LYS 52 511 HIS 53 512 PHE 54 513 GLU 55 514 HIS 56 515 VAL 57 516 ARG 58 517 MET 59 518 VAL 60 519 ASP 61 520 PRO 62 521 LYS 63 522 LYS 64 523 ALA 65 524 ALA 66 525 GLN 67 526 ILE 68 527 ARG 69 528 SER 70 529 GLN 71 530 VAL 72 531 MET 73 532 THR 74 533 HIS 75 534 LEU 76 535 ARG 77 536 VAL 78 537 ILE 79 538 TYR 80 539 GLU 81 540 ARG 82 541 MET 83 542 ASN 84 543 GLN 85 544 SER 86 545 LEU 87 546 SER 88 547 LEU 89 548 LEU 90 549 TYR 91 550 ASN 92 551 VAL 93 552 PRO 94 553 ALA 95 554 VAL 96 555 ALA 97 556 GLU 98 557 GLU 99 558 ILE 100 559 GLN 101 560 ASP 102 561 GLU 103 562 VAL 104 563 ASP 105 564 GLU 106 565 LEU 107 566 LEU 108 567 GLN 109 568 LYS 110 569 GLU 111 570 GLN 112 571 ASN 113 572 TYR 114 573 SER 115 574 ASP 116 575 ASP 117 576 VAL 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 PDB 1TKN "Solution Structure Of Cappd, An Independently Folded Extracellular Domain Of Human Amyloid-Beta Precursor Protein" 94.02 110 100.00 100.00 6.18e-72 PDB 3NYL "The X-Ray Structure Of An Antiparallel Dimer Of The Human Amyloid Precursor Protein E2 Domain" 94.87 210 100.00 100.00 3.66e-72 PDB 3UMH "X-Ray Structure Of The E2 Domain Of The Human Amyloid Precursor Protein (App) In Complex With Cadmium" 100.00 211 99.15 100.00 3.65e-77 PDB 3UMI "X-Ray Structure Of The E2 Domain Of The Human Amyloid Precursor Protein (App) In Complex With Zinc" 100.00 211 99.15 100.00 3.65e-77 PDB 3UMK "X-Ray Structure Of The E2 Domain Of The Human Amyloid Precursor Protein (App) In Complex With Copper" 100.00 211 99.15 100.00 3.65e-77 DBJ BAA22264 "amyloid precursor protein [Homo sapiens]" 100.00 770 100.00 100.00 5.37e-73 DBJ BAA84580 "amyloid precursor protein [Sus scrofa]" 100.00 770 100.00 100.00 5.20e-73 DBJ BAC36369 "unnamed protein product [Mus musculus]" 100.00 384 98.29 99.15 8.27e-74 DBJ BAD51938 "amyloid beta A4 precursor protein [Macaca fascicularis]" 100.00 696 99.15 99.15 9.22e-73 DBJ BAE01907 "unnamed protein product [Macaca fascicularis]" 100.00 751 100.00 100.00 4.11e-73 EMBL CAA30050 "amyloid A4 protein [Homo sapiens]" 100.00 751 100.00 100.00 3.63e-73 EMBL CAA30488 "unnamed protein product [Rattus rattus]" 100.00 695 99.15 99.15 1.58e-72 EMBL CAA31830 "A4 amyloid protein precursor [Homo sapiens]" 100.00 695 100.00 100.00 2.46e-73 EMBL CAA53090 "beta amyloid protein precursor [Oryctolagus cuniculus]" 52.99 97 98.39 100.00 1.03e-33 EMBL CAA66230 "putative amyloid precursor protein [Cavia sp.]" 100.00 695 100.00 100.00 3.55e-73 GB AAA36829 "amyloid b-protein precursor [Macaca fascicularis]" 100.00 695 100.00 100.00 2.41e-73 GB AAA51722 "amyloid beta-protein precursor, partial [Homo sapiens]" 100.00 412 100.00 100.00 3.01e-75 GB AAA51726 "beta-amyloid A4, partial [Homo sapiens]" 59.83 264 100.00 100.00 7.29e-40 GB AAA58727 "amyloid precursor protein, partial [Homo sapiens]" 88.03 484 100.00 100.00 6.77e-65 GB AAB41502 "hippocampal amyloid precursor protein [Mus musculus]" 100.00 695 99.15 99.15 1.47e-72 PRF 1303338A "amyloid A4 protein precursor" 100.00 695 100.00 100.00 2.41e-73 PRF 1403400A "amyloid protein A4" 100.00 751 100.00 100.00 3.63e-73 PRF 1507304A "beta amyloid peptide precursor" 100.00 412 100.00 100.00 2.92e-75 PRF 1507304B "beta amyloid peptide precursor" 100.00 574 100.00 100.00 3.54e-74 REF NP_000475 "amyloid beta A4 protein isoform a precursor [Homo sapiens]" 100.00 770 100.00 100.00 5.37e-73 REF NP_001006601 "amyloid beta A4 protein isoform APP-770 precursor [Canis lupus familiaris]" 100.00 770 100.00 100.00 5.05e-73 REF NP_001013036 "amyloid beta A4 protein precursor [Pan troglodytes]" 100.00 770 100.00 100.00 5.48e-73 REF NP_001070264 "amyloid beta A4 protein precursor [Bos taurus]" 100.00 695 100.00 100.00 2.34e-73 REF NP_001127014 "amyloid beta A4 protein precursor [Pongo abelii]" 100.00 695 100.00 100.00 2.36e-73 SP P05067 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; AltName: Full=APPI; Short=APP; AltName: Full=Alzheimer disease amylo" 100.00 770 100.00 100.00 5.37e-73 SP P08592 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 100.00 770 99.15 99.15 2.85e-72 SP P12023 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 100.00 770 99.15 99.15 2.97e-72 SP P53601 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 100.00 770 100.00 100.00 5.65e-73 SP P79307 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 100.00 770 100.00 100.00 5.20e-73 TPG DAA33655 "TPA: amyloid beta A4 protein [Bos taurus]" 100.00 695 100.00 100.00 2.34e-73 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $APP 9606 Human Eukaryota Metazoa Homo Sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $APP 'recombinant technology' 'E. coli' Escherichia coli BL21 . 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 $APP 0.85 mM '[U-99% 15N]' 'sodium phosphate' 50 mM . NaCl 250 mM . 'Guanidinium Chloride' 300 mM . D2O 5 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $APP 0.85 mM '[U-99% 15N; U-13C]' 'sodium phosphate' 50 mM . NaCl 250 mM . 'Guanidinium Chloride' 300 mM . D2O 5 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1 _Details Varian save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY-HSQC_and_TOCSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC and TOCSY-HSQC' _Sample_label . save_ save_HNCO,_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCO, HNCACB' _Sample_label . save_ save_H(C)(CO)NH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)(CO)NH-TOCSY _Sample_label . save_ save_(H)C(CO)NH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _Sample_label . save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC and TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCO, HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 0.1 n/a temperature 300 0.5 K 'ionic strength' 0.6 . M 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'APP fragment, CAPPD*' _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 1 460 1 ARG H H 8.160 0.03 9 2 460 1 ARG N N 121.200 0.15 1 3 460 1 ARG CA C 57.800 0.12 1 4 460 1 ARG HA H 4.210 0.03 1 5 460 1 ARG CB C 30.300 0.12 1 6 460 1 ARG HB2 H 1.890 0.03 1 7 460 1 ARG HB3 H 1.890 0.03 1 8 460 1 ARG CG C 27.100 0.12 1 9 460 1 ARG HG3 H 1.680 0.03 9 10 460 1 ARG HG2 H 1.680 0.03 9 11 460 1 ARG CD C 43.100 0.12 1 12 460 1 ARG HD3 H 3.220 0.03 9 13 460 1 ARG HD2 H 3.220 0.03 9 14 460 1 ARG C C 174.440 0.12 1 15 461 2 VAL N N 121.100 0.15 1 16 461 2 VAL H H 8.260 0.03 1 17 461 2 VAL CA C 65.500 0.12 1 18 461 2 VAL HA H 3.700 0.03 1 19 461 2 VAL CB C 31.500 0.12 1 20 461 2 VAL HB H 1.920 0.03 9 21 461 2 VAL CG2 C 22.000 0.12 9 22 461 2 VAL HG2 H 0.940 0.03 9 23 461 2 VAL CG1 C 20.400 0.12 9 24 461 2 VAL HG1 H 0.620 0.03 9 25 461 2 VAL C C 177.920 0.12 1 26 462 3 GLU N N 120.800 0.15 1 27 462 3 GLU H H 8.540 0.03 1 28 462 3 GLU CA C 59.600 0.12 1 29 462 3 GLU HA H 3.830 0.03 1 30 462 3 GLU CB C 28.900 0.12 1 31 462 3 GLU HB2 H 2.010 0.03 2 32 462 3 GLU HB3 H 1.950 0.03 2 33 462 3 GLU CG C 36.800 0.12 1 34 462 3 GLU HG3 H 2.330 0.03 9 35 462 3 GLU HG2 H 2.220 0.03 9 36 462 3 GLU C C 177.240 0.12 1 37 463 4 ALA N N 122.000 0.15 1 38 463 4 ALA H H 8.010 0.03 1 39 463 4 ALA CA C 54.500 0.12 1 40 463 4 ALA HA H 4.190 0.03 1 41 463 4 ALA CB C 18.100 0.12 1 42 463 4 ALA HB H 1.450 0.03 1 43 463 4 ALA C C 178.100 0.12 1 44 464 5 MET N N 118.800 0.15 1 45 464 5 MET H H 7.920 0.03 1 46 464 5 MET CA C 58.200 0.12 1 47 464 5 MET HA H 4.250 0.03 1 48 464 5 MET CB C 32.100 0.12 1 49 464 5 MET HB2 H 2.180 0.03 1 50 464 5 MET HB3 H 2.180 0.03 1 51 464 5 MET CG C 31.800 0.12 1 52 464 5 MET HG3 H 2.700 0.03 9 53 464 5 MET HG2 H 2.490 0.03 9 54 464 5 MET CE C 16.800 0.12 9 55 464 5 MET HE H 2.040 0.03 9 56 464 5 MET C C 179.420 0.12 1 57 465 6 LEU N N 120.600 0.15 1 58 465 6 LEU H H 8.320 0.03 1 59 465 6 LEU CA C 57.500 0.12 1 60 465 6 LEU HA H 4.030 0.03 1 61 465 6 LEU CB C 41.400 0.12 1 62 465 6 LEU HB2 H 1.390 0.03 2 63 465 6 LEU HB3 H 1.850 0.03 2 64 465 6 LEU CG C 26.000 0.12 1 65 465 6 LEU HG H 1.710 0.03 9 66 465 6 LEU CD1 C 26.000 0.12 9 67 465 6 LEU HD1 H 0.660 0.03 9 68 465 6 LEU CD2 C 22.900 0.12 9 69 465 6 LEU HD2 H 0.760 0.03 9 70 465 6 LEU C C 178.460 0.12 1 71 466 7 ASN N N 118.900 0.15 1 72 466 7 ASN H H 8.220 0.03 1 73 466 7 ASN CA C 56.100 0.12 1 74 466 7 ASN HA H 4.540 0.03 1 75 466 7 ASN CB C 38.500 0.12 1 76 466 7 ASN HB2 H 2.940 0.03 2 77 466 7 ASN HB3 H 2.860 0.03 2 78 466 7 ASN ND2 N 114.300 0.15 9 79 466 7 ASN HD21 H 7.760 0.03 9 80 466 7 ASN HD22 H 7.130 0.03 9 81 466 7 ASN C C 176.770 0.12 1 82 467 8 ASP N N 121.200 0.15 1 83 467 8 ASP H H 8.340 0.03 1 84 467 8 ASP CA C 57.400 0.12 1 85 467 8 ASP HA H 4.440 0.03 1 86 467 8 ASP CB C 40.700 0.12 1 87 467 8 ASP HB2 H 2.840 0.03 2 88 467 8 ASP HB3 H 2.710 0.03 2 89 467 8 ASP C C 179.930 0.12 1 90 468 9 ARG N N 118.900 0.15 1 91 468 9 ARG H H 8.320 0.03 1 92 468 9 ARG CA C 59.200 0.12 1 93 468 9 ARG HA H 4.050 0.03 1 94 468 9 ARG CB C 30.100 0.12 1 95 468 9 ARG HB2 H 1.940 0.03 1 96 468 9 ARG HB3 H 1.940 0.03 1 97 468 9 ARG CG C 27.700 0.12 1 98 468 9 ARG HG3 H 1.900 0.03 9 99 468 9 ARG HG2 H 1.710 0.03 9 100 468 9 ARG CD C 43.400 0.12 1 101 468 9 ARG HD3 H 3.200 0.03 9 102 468 9 ARG HD2 H 3.200 0.03 9 103 468 9 ARG C C 178.470 0.12 1 104 469 10 ARG N N 120.800 0.15 1 105 469 10 ARG H H 8.050 0.03 1 106 469 10 ARG CA C 59.800 0.12 1 107 469 10 ARG HA H 3.930 0.03 1 108 469 10 ARG CB C 28.100 0.12 1 109 469 10 ARG HB2 H 2.140 0.03 2 110 469 10 ARG HB3 H 1.890 0.03 2 111 469 10 ARG CG C 25.800 0.12 1 112 469 10 ARG HG3 H 1.720 0.03 9 113 469 10 ARG HG2 H 1.720 0.03 9 114 469 10 ARG CD C 42.300 0.12 1 115 469 10 ARG HD3 H 3.250 0.03 9 116 469 10 ARG HD2 H 3.250 0.03 9 117 469 10 ARG NE N 126.900 0.15 9 118 469 10 ARG HE H 7.850 0.03 9 119 469 10 ARG C C 179.370 0.12 1 120 470 11 ARG N N 120.500 0.15 1 121 470 11 ARG H H 8.490 0.03 1 122 470 11 ARG CA C 60.100 0.12 1 123 470 11 ARG HA H 3.970 0.03 1 124 470 11 ARG CB C 29.900 0.12 1 125 470 11 ARG HB2 H 1.990 0.03 1 126 470 11 ARG HB3 H 1.990 0.03 1 127 470 11 ARG CG C 27.600 0.12 1 128 470 11 ARG HG3 H 1.600 0.03 9 129 470 11 ARG HG2 H 1.810 0.03 9 130 470 11 ARG CD C 43.200 0.12 1 131 470 11 ARG HD3 H 3.260 0.03 9 132 470 11 ARG HD2 H 3.260 0.03 9 133 470 11 ARG C C 177.330 0.12 1 134 471 12 LEU N N 120.100 0.15 1 135 471 12 LEU H H 7.950 0.03 1 136 471 12 LEU CA C 57.700 0.12 1 137 471 12 LEU HA H 4.140 0.03 1 138 471 12 LEU CB C 41.800 0.12 1 139 471 12 LEU HB2 H 1.700 0.03 1 140 471 12 LEU HB3 H 1.700 0.03 1 141 471 12 LEU CG C 27.000 0.12 1 142 471 12 LEU HG H 1.680 0.03 9 143 471 12 LEU CD1 C 24.100 0.12 9 144 471 12 LEU HD1 H 0.910 0.03 9 145 471 12 LEU CD2 C 24.300 0.12 9 146 471 12 LEU HD2 H 0.890 0.03 9 147 471 12 LEU C C 178.770 0.12 1 148 472 13 ALA N N 119.800 0.15 1 149 472 13 ALA H H 8.020 0.03 1 150 472 13 ALA CA C 54.500 0.12 1 151 472 13 ALA HA H 4.240 0.03 1 152 472 13 ALA CB C 17.300 0.12 1 153 472 13 ALA HB H 1.570 0.03 1 154 472 13 ALA C C 178.210 0.12 1 155 473 14 LEU N N 122.300 0.15 1 156 473 14 LEU H H 8.960 0.03 1 157 473 14 LEU CA C 58.300 0.12 1 158 473 14 LEU HA H 3.870 0.03 1 159 473 14 LEU CB C 40.700 0.12 1 160 473 14 LEU HB2 H 2.040 0.03 2 161 473 14 LEU HB3 H 1.580 0.03 2 162 473 14 LEU CG C 26.500 0.12 1 163 473 14 LEU HG H 1.450 0.03 9 164 473 14 LEU CD1 C 21.200 0.12 9 165 473 14 LEU HD1 H 0.440 0.03 9 166 473 14 LEU CD2 C 25.400 0.12 9 167 473 14 LEU HD2 H 0.790 0.03 9 168 473 14 LEU C C 181.570 0.12 1 169 474 15 GLU N N 118.900 0.15 1 170 474 15 GLU H H 8.170 0.03 1 171 474 15 GLU CA C 59.500 0.12 1 172 474 15 GLU HA H 3.930 0.03 1 173 474 15 GLU CB C 29.100 0.12 1 174 474 15 GLU HB2 H 2.170 0.03 2 175 474 15 GLU HB3 H 2.100 0.03 2 176 474 15 GLU CG C 36.100 0.12 1 177 474 15 GLU HG3 H 2.390 0.03 9 178 474 15 GLU HG2 H 2.260 0.03 9 179 474 15 GLU C C 177.810 0.12 1 180 475 16 ASN N N 117.700 0.15 1 181 475 16 ASN H H 8.430 0.03 1 182 475 16 ASN CA C 55.500 0.12 1 183 475 16 ASN HA H 4.500 0.03 1 184 475 16 ASN CB C 38.100 0.12 1 185 475 16 ASN HB2 H 2.990 0.03 2 186 475 16 ASN HB3 H 2.880 0.03 2 187 475 16 ASN ND2 N 111.400 0.15 9 188 475 16 ASN HD21 H 7.930 0.03 9 189 475 16 ASN HD22 H 6.820 0.03 9 190 475 16 ASN C C 179.480 0.12 1 191 476 17 TYR N N 123.500 0.15 1 192 476 17 TYR H H 7.820 0.03 1 193 476 17 TYR CA C 59.800 0.12 1 194 476 17 TYR HA H 4.290 0.03 1 195 476 17 TYR CB C 37.440 0.12 1 196 476 17 TYR HB2 H 3.140 0.03 2 197 476 17 TYR HB3 H 2.870 0.03 2 198 476 17 TYR CD1 C 132.600 0.12 9 199 476 17 TYR HD1 H 6.780 0.03 9 200 476 17 TYR CE1 C 117.000 0.12 9 201 476 17 TYR HE1 H 6.370 0.03 9 202 476 17 TYR HH H 7.321 0.03 1 203 476 17 TYR CE2 C 117.000 0.12 9 204 476 17 TYR HE2 H 6.370 0.03 9 205 476 17 TYR CD2 C 132.600 0.12 9 206 476 17 TYR HD2 H 6.780 0.03 9 207 476 17 TYR C C 178.220 0.12 1 208 477 18 ILE N N 121.300 0.15 1 209 477 18 ILE H H 8.460 0.03 1 210 477 18 ILE CA C 65.400 0.12 1 211 477 18 ILE HA H 3.020 0.03 1 212 477 18 ILE CB C 36.900 0.12 1 213 477 18 ILE HB H 1.740 0.03 9 214 477 18 ILE CG1 C 29.200 0.12 9 215 477 18 ILE HG12 H 0.830 0.03 9 216 477 18 ILE HG13 H 1.510 0.03 9 217 477 18 ILE CD1 C 12.800 0.12 9 218 477 18 ILE HD1 H 0.630 0.03 9 219 477 18 ILE CG2 C 16.800 0.12 9 220 477 18 ILE HG2 H 0.690 0.03 9 221 477 18 ILE C C 174.640 0.12 1 222 478 19 THR N N 114.700 0.15 1 223 478 19 THR H H 8.440 0.03 1 224 478 19 THR CA C 66.400 0.12 1 225 478 19 THR HA H 3.800 0.03 1 226 478 19 THR CB C 68.700 0.12 1 227 478 19 THR HB H 4.200 0.03 9 228 478 19 THR CG2 C 21.800 0.12 9 229 478 19 THR HG2 H 1.260 0.03 9 230 478 19 THR C C 178.640 0.12 1 231 479 20 ALA N N 124.000 0.15 1 232 479 20 ALA H H 7.490 0.03 1 233 479 20 ALA CA C 54.900 0.12 1 234 479 20 ALA HA H 4.240 0.03 1 235 479 20 ALA CB C 18.400 0.12 1 236 479 20 ALA HB H 1.430 0.03 1 237 479 20 ALA C C 177.040 0.12 1 238 480 21 LEU N N 118.100 0.15 1 239 480 21 LEU H H 7.900 0.03 1 240 480 21 LEU CA C 57.100 0.12 1 241 480 21 LEU HA H 3.900 0.03 1 242 480 21 LEU CB C 42.500 0.12 1 243 480 21 LEU HB2 H 1.480 0.03 2 244 480 21 LEU HB3 H 1.590 0.03 2 245 480 21 LEU CG C 26.600 0.12 1 246 480 21 LEU HG H 1.440 0.03 9 247 480 21 LEU CD1 C 24.800 0.12 9 248 480 21 LEU HD1 H 0.580 0.03 9 249 480 21 LEU CD2 C 24.600 0.12 9 250 480 21 LEU HD2 H 0.710 0.03 9 251 480 21 LEU C C 179.450 0.12 1 252 481 22 GLN N N 114.200 0.15 1 253 481 22 GLN H H 7.480 0.03 1 254 481 22 GLN CA C 55.100 0.12 1 255 481 22 GLN HA H 4.210 0.03 1 256 481 22 GLN CB C 28.800 0.12 1 257 481 22 GLN HB2 H 2.180 0.03 2 258 481 22 GLN HB3 H 1.990 0.03 2 259 481 22 GLN CG C 33.900 0.12 1 260 481 22 GLN HG3 H 2.530 0.03 9 261 481 22 GLN HG2 H 2.320 0.03 9 262 481 22 GLN NE2 N 110.700 0.15 9 263 481 22 GLN HE21 H 7.210 0.03 9 264 481 22 GLN HE22 H 6.730 0.03 9 265 481 22 GLN C C 177.240 0.12 1 266 482 23 ALA N N 124.200 0.15 1 267 482 23 ALA H H 7.040 0.03 1 268 482 23 ALA CA C 53.200 0.12 1 269 482 23 ALA HA H 4.100 0.03 1 270 482 23 ALA CB C 19.500 0.12 1 271 482 23 ALA HB H 1.450 0.03 1 272 482 23 ALA C C 176.150 0.12 1 273 483 24 VAL N N 119.100 0.15 1 274 483 24 VAL H H 8.030 0.03 1 275 483 24 VAL CA C 58.920 0.12 1 276 483 24 VAL HA H 4.270 0.03 1 277 483 24 VAL CB C 34.500 0.12 1 278 483 24 VAL HB H 1.970 0.03 9 279 483 24 VAL CG2 C 20.400 0.12 9 280 483 24 VAL HG2 H 0.920 0.03 9 281 483 24 VAL CG1 C 20.700 0.12 9 282 483 24 VAL HG1 H 0.870 0.03 9 283 483 24 VAL C C 175.370 0.12 1 284 484 25 PRO CA C 61.900 0.12 1 285 484 25 PRO HA H 5.100 0.03 1 286 484 25 PRO CB C 32.800 0.12 1 287 484 25 PRO HB2 H 2.040 0.03 2 288 484 25 PRO HB3 H 2.450 0.03 2 289 484 25 PRO CG C 24.600 0.12 1 290 484 25 PRO HG3 H 1.980 0.03 9 291 484 25 PRO HG2 H 1.880 0.03 9 292 484 25 PRO CD C 49.700 0.12 1 293 484 25 PRO HD3 H 3.600 0.03 9 294 484 25 PRO HD2 H 3.530 0.03 9 295 485 26 PRO CA C 62.400 0.12 1 296 485 26 PRO HA H 4.500 0.03 1 297 485 26 PRO CB C 31.900 0.12 1 298 485 26 PRO HB2 H 1.590 0.03 2 299 485 26 PRO HB3 H 2.340 0.03 2 300 485 26 PRO CG C 27.300 0.12 1 301 485 26 PRO HG3 H 2.020 0.03 9 302 485 26 PRO HG2 H 2.130 0.03 9 303 485 26 PRO CD C 49.700 0.12 1 304 485 26 PRO HD3 H 3.870 0.03 9 305 485 26 PRO HD2 H 3.650 0.03 9 306 486 27 ARG N N 122.300 0.15 1 307 486 27 ARG H H 9.230 0.03 1 308 486 27 ARG CA C 52.700 0.12 1 309 486 27 ARG HA H 4.960 0.03 1 310 486 27 ARG CB C 31.400 0.12 1 311 486 27 ARG HB2 H 1.910 0.03 2 312 486 27 ARG HB3 H 2.140 0.03 2 313 486 27 ARG CG C 26.100 0.12 1 314 486 27 ARG HG3 H 1.610 0.03 9 315 486 27 ARG HG2 H 1.750 0.03 9 316 486 27 ARG CD C 43.800 0.12 1 317 486 27 ARG HD3 H 3.150 0.03 9 318 486 27 ARG HD2 H 3.210 0.03 9 319 486 27 ARG NE N 128.300 0.15 9 320 486 27 ARG HE H 9.640 0.03 9 321 486 27 ARG C C 176.970 0.12 1 322 487 28 PRO CA C 66.600 0.12 1 323 487 28 PRO HA H 4.050 0.03 1 324 487 28 PRO CB C 32.600 0.12 1 325 487 28 PRO HB2 H 2.070 0.03 2 326 487 28 PRO HB3 H 2.370 0.03 2 327 487 28 PRO CG C 27.600 0.12 1 328 487 28 PRO HG3 H 2.330 0.03 9 329 487 28 PRO HG2 H 1.950 0.03 9 330 487 28 PRO CD C 50.300 0.12 1 331 487 28 PRO HD3 H 4.000 0.03 9 332 487 28 PRO HD2 H 3.840 0.03 9 333 488 29 ARG N N 115.200 0.15 1 334 488 29 ARG H H 8.880 0.03 1 335 488 29 ARG CA C 58.300 0.12 1 336 488 29 ARG HA H 4.110 0.03 1 337 488 29 ARG CB C 28.200 0.12 1 338 488 29 ARG HB2 H 2.090 0.03 1 339 488 29 ARG HB3 H 2.090 0.03 1 340 488 29 ARG CG C 25.400 0.12 1 341 488 29 ARG HG3 H 1.880 0.03 9 342 488 29 ARG HG2 H 1.880 0.03 9 343 488 29 ARG CD C 41.800 0.12 1 344 488 29 ARG HD3 H 3.320 0.03 9 345 488 29 ARG HD2 H 3.200 0.03 9 346 488 29 ARG C C 177.320 0.12 1 347 489 30 HIS N N 120.300 0.15 1 348 489 30 HIS H H 7.330 0.03 1 349 489 30 HIS CA C 59.100 0.12 1 350 489 30 HIS HA H 4.720 0.03 1 351 489 30 HIS CB C 31.200 0.12 1 352 489 30 HIS HB2 H 3.490 0.03 2 353 489 30 HIS HB3 H 3.210 0.03 2 354 489 30 HIS CD2 C 118.600 0.12 9 355 489 30 HIS HD2 H 7.030 0.03 9 356 489 30 HIS CE1 C 139.100 0.12 9 357 489 30 HIS HE1 H 7.860 0.03 9 358 489 30 HIS C C 178.270 0.12 1 359 490 31 VAL N N 117.500 0.15 1 360 490 31 VAL H H 8.420 0.03 1 361 490 31 VAL CA C 67.200 0.12 1 362 490 31 VAL HA H 3.250 0.03 1 363 490 31 VAL CB C 30.800 0.12 1 364 490 31 VAL HB H 2.280 0.03 9 365 490 31 VAL CG2 C 22.900 0.12 9 366 490 31 VAL HG2 H 0.970 0.03 9 367 490 31 VAL CG1 C 22.400 0.12 9 368 490 31 VAL HG1 H 0.950 0.03 9 369 490 31 VAL C C 177.400 0.12 1 370 491 32 PHE N N 118.400 0.15 1 371 491 32 PHE H H 8.560 0.03 1 372 491 32 PHE CA C 62.300 0.12 1 373 491 32 PHE HA H 3.930 0.03 1 374 491 32 PHE CB C 38.000 0.12 1 375 491 32 PHE HB2 H 3.200 0.03 1 376 491 32 PHE HB3 H 3.200 0.03 1 377 491 32 PHE CD1 C 131.2 0.12 9 378 491 32 PHE HD1 H 7.160 0.03 9 379 491 32 PHE CE1 C 129.800 0.12 9 380 491 32 PHE HE1 H 7.290 0.03 9 381 491 32 PHE CZ C 129.800 0.12 9 382 491 32 PHE HZ H 7.290 0.03 9 383 491 32 PHE CE2 C 129.800 0.12 9 384 491 32 PHE HE2 H 7.290 0.03 9 385 491 32 PHE CD2 C 131.200 0.12 9 386 491 32 PHE HD2 H 7.160 0.03 9 387 491 32 PHE C C 177.650 0.12 1 388 492 33 ASN N N 117.700 0.15 1 389 492 33 ASN H H 8.380 0.03 1 390 492 33 ASN CA C 56.000 0.12 1 391 492 33 ASN HA H 4.230 0.03 1 392 492 33 ASN CB C 37.700 0.12 1 393 492 33 ASN HB2 H 2.790 0.03 2 394 492 33 ASN HB3 H 3.070 0.03 2 395 492 33 ASN ND2 N 112.100 0.15 9 396 492 33 ASN HD21 H 7.900 0.03 9 397 492 33 ASN HD22 H 7.000 0.03 9 398 492 33 ASN C C 175.790 0.12 1 399 493 34 MET N N 117.700 0.15 1 400 493 34 MET H H 8.390 0.03 1 401 493 34 MET CA C 56.400 0.12 1 402 493 34 MET HA H 4.490 0.03 1 403 493 34 MET CB C 33.500 0.12 1 404 493 34 MET HB2 H 1.810 0.03 2 405 493 34 MET HB3 H 2.140 0.03 2 406 493 34 MET CG C 32.000 0.12 1 407 493 34 MET HG3 H 2.290 0.03 9 408 493 34 MET HG2 H 2.290 0.03 9 409 493 34 MET CE C 20.000 0.12 9 410 493 34 MET HE H 2.010 0.03 9 411 493 34 MET C C 178.670 0.12 1 412 494 35 LEU N N 126.400 0.15 1 413 494 35 LEU H H 9.270 0.03 1 414 494 35 LEU CA C 58.500 0.12 1 415 494 35 LEU HA H 3.510 0.03 1 416 494 35 LEU CB C 40.900 0.12 1 417 494 35 LEU HB2 H 1.490 0.03 2 418 494 35 LEU HB3 H 1.810 0.03 2 419 494 35 LEU CG C 26.600 0.12 1 420 494 35 LEU HG H 1.160 0.03 9 421 494 35 LEU CD1 C 22.800 0.12 9 422 494 35 LEU HD1 H 0.490 0.03 9 423 494 35 LEU CD2 C 26.500 0.12 9 424 494 35 LEU HD2 H 0.740 0.03 9 425 494 35 LEU C C 179.850 0.12 1 426 495 36 LYS N N 119.400 0.15 1 427 495 36 LYS H H 8.590 0.03 1 428 495 36 LYS CA C 60.200 0.12 1 429 495 36 LYS HA H 3.520 0.03 1 430 495 36 LYS CB C 31.500 0.12 1 431 495 36 LYS HB2 H 1.240 0.03 2 432 495 36 LYS HB3 H 1.640 0.03 2 433 495 36 LYS CG C 24.600 0.12 1 434 495 36 LYS HG3 H 1.100 0.03 9 435 495 36 LYS HG2 H 1.160 0.03 9 436 495 36 LYS CD C 29.900 0.12 1 437 495 36 LYS HD3 H 1.640 0.03 9 438 495 36 LYS HD2 H 1.640 0.03 9 439 495 36 LYS CE C 41.900 0.12 9 440 495 36 LYS HE3 H 2.860 0.03 9 441 495 36 LYS HE2 H 2.860 0.03 9 442 495 36 LYS C C 177.880 0.12 1 443 496 37 LYS N N 116.600 0.15 1 444 496 37 LYS H H 7.160 0.03 1 445 496 37 LYS CA C 59.600 0.12 1 446 496 37 LYS HA H 3.940 0.03 1 447 496 37 LYS CB C 32.600 0.12 1 448 496 37 LYS HB2 H 1.940 0.03 1 449 496 37 LYS HB3 H 1.940 0.03 1 450 496 37 LYS CG C 25.600 0.12 1 451 496 37 LYS HG3 H 1.710 0.03 9 452 496 37 LYS HG2 H 1.490 0.03 9 453 496 37 LYS CD C 29.500 0.12 1 454 496 37 LYS HD3 H 1.720 0.03 9 455 496 37 LYS HD2 H 1.720 0.03 9 456 496 37 LYS CE C 42.200 0.12 9 457 496 37 LYS HE3 H 2.990 0.03 9 458 496 37 LYS HE2 H 2.990 0.03 9 459 496 37 LYS C C 177.830 0.12 1 460 497 38 TYR N N 120.800 0.15 1 461 497 38 TYR H H 7.680 0.03 1 462 497 38 TYR CA C 61.000 0.12 1 463 497 38 TYR HA H 4.190 0.03 1 464 497 38 TYR CB C 37.000 0.12 1 465 497 38 TYR HB2 H 2.880 0.03 1 466 497 38 TYR HB3 H 2.880 0.03 1 467 497 38 TYR CD1 C 132.500 0.12 9 468 497 38 TYR HD1 H 6.770 0.03 9 469 497 38 TYR CE1 C 121.200 0.12 9 470 497 38 TYR HE1 H 6.620 0.03 9 471 497 38 TYR CE2 C 121.200 0.12 9 472 497 38 TYR HE2 H 6.620 0.03 9 473 497 38 TYR CD2 C 132.500 0.12 9 474 497 38 TYR HD2 H 6.770 0.03 9 475 497 38 TYR C C 179.150 0.12 1 476 498 39 VAL N N 120.600 0.15 1 477 498 39 VAL H H 8.840 0.03 1 478 498 39 VAL CA C 66.600 0.12 1 479 498 39 VAL HA H 2.900 0.03 1 480 498 39 VAL CB C 31.300 0.12 1 481 498 39 VAL HB H 1.920 0.03 9 482 498 39 VAL CG2 C 22.900 0.12 9 483 498 39 VAL HG2 H 0.860 0.03 9 484 498 39 VAL CG1 C 20.600 0.12 9 485 498 39 VAL HG1 H 0.750 0.03 9 486 498 39 VAL C C 175.290 0.12 1 487 499 40 ARG N N 117.234 0.15 1 488 499 40 ARG H H 8.156 0.03 1 489 499 40 ARG CA C 58.820 0.12 1 490 499 40 ARG HA H 4.040 0.03 1 491 499 40 ARG CB C 29.310 0.12 1 492 499 40 ARG HB2 H 1.800 0.03 2 493 499 40 ARG HB3 H 1.920 0.03 2 494 499 40 ARG CG C 27.540 0.12 1 495 499 40 ARG HG3 H 1.700 0.03 9 496 499 40 ARG HG2 H 1.700 0.03 9 497 499 40 ARG CD C 43.000 0.12 1 498 499 40 ARG HD3 H 3.190 0.03 9 499 499 40 ARG HD2 H 3.190 0.03 9 500 499 40 ARG HE H 6.778 0.03 9 501 499 40 ARG C C 178.140 0.12 1 502 500 41 ALA N N 122.500 0.15 1 503 500 41 ALA H H 7.520 0.03 1 504 500 41 ALA CA C 55.400 0.12 1 505 500 41 ALA HA H 4.110 0.03 1 506 500 41 ALA CB C 17.100 0.12 1 507 500 41 ALA HB H 1.470 0.03 1 508 500 41 ALA C C 178.200 0.12 1 509 501 42 GLU N N 118.930 0.15 1 510 501 42 GLU H H 7.678 0.03 1 511 501 42 GLU CA C 58.684 0.12 1 512 501 42 GLU HA H 4.720 0.03 1 513 501 42 GLU CB C 29.450 0.12 1 514 501 42 GLU HB2 H 1.930 0.03 2 515 501 42 GLU HB3 H 1.780 0.03 2 516 501 42 GLU CG C 33.100 0.12 1 517 501 42 GLU HG3 H 1.670 0.03 9 518 501 42 GLU HG2 H 1.670 0.03 9 519 501 42 GLU C C 181.100 0.12 1 520 502 43 GLN N N 117.700 0.15 1 521 502 43 GLN H H 8.510 0.03 1 522 502 43 GLN CA C 58.400 0.12 1 523 502 43 GLN HA H 3.980 0.03 1 524 502 43 GLN CB C 28.000 0.12 1 525 502 43 GLN HB2 H 2.260 0.03 2 526 502 43 GLN HB3 H 2.080 0.03 2 527 502 43 GLN CG C 33.700 0.12 1 528 502 43 GLN HG3 H 2.370 0.03 9 529 502 43 GLN HG2 H 2.540 0.03 9 530 502 43 GLN NE2 N 110.700 0.15 9 531 502 43 GLN HE21 H 7.370 0.03 9 532 502 43 GLN HE22 H 6.820 0.03 9 533 502 43 GLN C C 179.730 0.12 1 534 503 44 LYS N N 120.600 0.15 1 535 503 44 LYS H H 8.420 0.03 1 536 503 44 LYS CA C 59.100 0.12 1 537 503 44 LYS HA H 4.090 0.03 1 538 503 44 LYS CB C 31.800 0.12 1 539 503 44 LYS HB2 H 1.850 0.03 2 540 503 44 LYS HB3 H 1.980 0.03 2 541 503 44 LYS CG C 25.100 0.12 1 542 503 44 LYS HG3 H 1.470 0.03 9 543 503 44 LYS HG2 H 1.550 0.03 9 544 503 44 LYS CD C 28.700 0.12 1 545 503 44 LYS HD3 H 1.700 0.03 9 546 503 44 LYS HD2 H 1.700 0.03 9 547 503 44 LYS CE C 42.300 0.12 9 548 503 44 LYS HE3 H 2.940 0.03 9 549 503 44 LYS HE2 H 2.940 0.03 9 550 503 44 LYS C C 179.070 0.12 1 551 504 45 ASP N N 120.800 0.15 1 552 504 45 ASP H H 7.460 0.03 1 553 504 45 ASP CA C 56.900 0.12 1 554 504 45 ASP HA H 4.500 0.03 1 555 504 45 ASP CB C 40.800 0.12 1 556 504 45 ASP HB2 H 3.290 0.03 2 557 504 45 ASP HB3 H 2.710 0.03 2 558 504 45 ASP C C 179.070 0.12 1 559 505 46 ARG N N 122.800 0.15 1 560 505 46 ARG H H 8.530 0.03 1 561 505 46 ARG CA C 60.800 0.12 1 562 505 46 ARG HA H 3.630 0.03 1 563 505 46 ARG CB C 29.900 0.12 1 564 505 46 ARG HB2 H 1.860 0.03 2 565 505 46 ARG HB3 H 2.140 0.03 2 566 505 46 ARG CG C 27.700 0.12 1 567 505 46 ARG HG3 H 1.510 0.03 9 568 505 46 ARG HG2 H 1.650 0.03 9 569 505 46 ARG CD C 43.400 0.12 1 570 505 46 ARG HD3 H 3.210 0.03 9 571 505 46 ARG HD2 H 3.210 0.03 9 572 505 46 ARG C C 179.040 0.12 1 573 506 47 GLN N N 116.900 0.15 1 574 506 47 GLN H H 8.830 0.03 1 575 506 47 GLN CA C 59.100 0.12 1 576 506 47 GLN HA H 4.050 0.03 1 577 506 47 GLN CB C 28.500 0.12 1 578 506 47 GLN HB2 H 2.220 0.03 2 579 506 47 GLN HB3 H 2.200 0.03 2 580 506 47 GLN CG C 33.900 0.12 1 581 506 47 GLN HG3 H 2.570 0.03 9 582 506 47 GLN HG2 H 2.440 0.03 9 583 506 47 GLN NE2 N 111.800 0.15 9 584 506 47 GLN HE21 H 7.520 0.03 9 585 506 47 GLN HE22 H 6.920 0.03 9 586 506 47 GLN C C 177.280 0.12 1 587 507 48 HIS N N 119.800 0.15 1 588 507 48 HIS H H 8.570 0.03 1 589 507 48 HIS CA C 60.200 0.12 1 590 507 48 HIS HA H 4.310 0.03 1 591 507 48 HIS CB C 30.100 0.12 1 592 507 48 HIS HB2 H 3.330 0.03 1 593 507 48 HIS HB3 H 3.330 0.03 1 594 507 48 HIS CD2 C 119.600 0.12 9 595 507 48 HIS HD2 H 7.160 0.03 9 596 507 48 HIS CE1 C 137.500 0.12 9 597 507 48 HIS HE1 H 7.950 0.03 9 598 507 48 HIS C C 178.470 0.12 1 599 508 49 THR N N 116.900 0.15 1 600 508 49 THR H H 8.580 0.03 1 601 508 49 THR CA C 67.000 0.12 1 602 508 49 THR HA H 3.890 0.03 1 603 508 49 THR CB C 68.400 0.12 1 604 508 49 THR HB H 4.530 0.03 9 605 508 49 THR CG2 C 21.400 0.12 9 606 508 49 THR HG2 H 1.260 0.03 9 607 508 49 THR C C 177.420 0.12 1 608 509 50 LEU N N 121.800 0.15 1 609 509 50 LEU H H 8.390 0.03 1 610 509 50 LEU CA C 58.100 0.12 1 611 509 50 LEU HA H 4.140 0.03 1 612 509 50 LEU CB C 41.900 0.12 1 613 509 50 LEU HB2 H 1.910 0.03 2 614 509 50 LEU HB3 H 1.630 0.03 2 615 509 50 LEU CG C 27.100 0.12 1 616 509 50 LEU HG H 1.770 0.03 9 617 509 50 LEU CD1 C 25.200 0.12 9 618 509 50 LEU HD1 H 0.890 0.03 9 619 509 50 LEU CD2 C 22.900 0.12 9 620 509 50 LEU HD2 H 0.890 0.03 9 621 509 50 LEU C C 176.850 0.12 1 622 510 51 LYS N N 120.600 0.15 1 623 510 51 LYS H H 8.560 0.03 1 624 510 51 LYS CA C 59.200 0.12 1 625 510 51 LYS HA H 4.070 0.03 1 626 510 51 LYS CB C 32.100 0.12 1 627 510 51 LYS HB2 H 1.850 0.03 2 628 510 51 LYS HB3 H 1.960 0.03 2 629 510 51 LYS CG C 24.800 0.12 1 630 510 51 LYS HG3 H 1.440 0.03 9 631 510 51 LYS HG2 H 1.550 0.03 9 632 510 51 LYS CD C 29.000 0.12 1 633 510 51 LYS HD3 H 1.700 0.03 9 634 510 51 LYS HD2 H 1.700 0.03 9 635 510 51 LYS CE C 41.900 0.12 9 636 510 51 LYS HE3 H 2.980 0.03 9 637 510 51 LYS HE2 H 2.980 0.03 9 638 510 51 LYS C C 178.940 0.12 1 639 511 52 HIS N N 119.300 0.15 1 640 511 52 HIS H H 8.320 0.03 1 641 511 52 HIS CA C 59.600 0.12 1 642 511 52 HIS HA H 4.400 0.03 1 643 511 52 HIS CB C 29.100 0.12 1 644 511 52 HIS HB2 H 2.960 0.03 2 645 511 52 HIS HB3 H 3.200 0.03 2 646 511 52 HIS CD2 C 119.600 0.12 9 647 511 52 HIS HD2 H 7.070 0.03 9 648 511 52 HIS CE1 C 137.500 0.12 9 649 511 52 HIS HE1 H 7.980 0.03 9 650 511 52 HIS C C 179.500 0.12 1 651 512 53 PHE N N 119.400 0.15 1 652 512 53 PHE H H 8.100 0.03 1 653 512 53 PHE CA C 61.300 0.12 1 654 512 53 PHE HA H 4.090 0.03 1 655 512 53 PHE CB C 39.100 0.12 1 656 512 53 PHE HB2 H 3.380 0.03 2 657 512 53 PHE HB3 H 3.170 0.03 2 658 512 53 PHE CD1 C 131.400 0.12 9 659 512 53 PHE HD1 H 7.200 0.03 9 660 512 53 PHE CE1 C 131.200 0.12 9 661 512 53 PHE HE1 H 7.450 0.03 9 662 512 53 PHE CZ C 129.300 0.12 9 663 512 53 PHE HZ H 7.210 0.03 9 664 512 53 PHE CE2 C 131.200 0.12 9 665 512 53 PHE HE2 H 7.450 0.03 9 666 512 53 PHE CD2 C 131.400 0.12 9 667 512 53 PHE HD2 H 7.200 0.03 9 668 512 53 PHE C C 176.770 0.12 1 669 513 54 GLU N N 117.600 0.15 1 670 513 54 GLU H H 8.470 0.03 1 671 513 54 GLU CA C 59.000 0.12 1 672 513 54 GLU HA H 3.700 0.03 1 673 513 54 GLU CB C 29.200 0.12 1 674 513 54 GLU HB2 H 2.060 0.03 2 675 513 54 GLU HB3 H 2.150 0.03 2 676 513 54 GLU CG C 36.100 0.12 1 677 513 54 GLU HG3 H 2.290 0.03 9 678 513 54 GLU HG2 H 2.420 0.03 9 679 513 54 GLU C C 176.260 0.12 1 680 514 55 HIS N N 118.300 0.15 1 681 514 55 HIS H H 7.820 0.03 1 682 514 55 HIS CA C 59.300 0.12 1 683 514 55 HIS HA H 4.320 0.03 1 684 514 55 HIS CB C 28.900 0.12 1 685 514 55 HIS HB2 H 3.390 0.03 2 686 514 55 HIS HB3 H 3.230 0.03 2 687 514 55 HIS CD2 C 119.800 0.12 9 688 514 55 HIS HD2 H 6.980 0.03 9 689 514 55 HIS CE1 C 137.400 0.12 9 690 514 55 HIS HE1 H 8.150 0.03 9 691 514 55 HIS C C 178.670 0.12 1 692 515 56 VAL N N 119.100 0.15 1 693 515 56 VAL H H 8.000 0.03 1 694 515 56 VAL CA C 66.300 0.12 1 695 515 56 VAL HA H 3.340 0.03 1 696 515 56 VAL CB C 31.100 0.12 1 697 515 56 VAL HB H 1.820 0.03 9 698 515 56 VAL CG2 C 21.500 0.12 9 699 515 56 VAL HG2 H 0.790 0.03 9 700 515 56 VAL CG1 C 21.800 0.12 9 701 515 56 VAL HG1 H 0.760 0.03 9 702 515 56 VAL C C 176.860 0.12 1 703 516 57 ARG N N 117.900 0.15 1 704 516 57 ARG H H 8.200 0.03 1 705 516 57 ARG CA C 59.400 0.12 1 706 516 57 ARG HA H 3.330 0.03 1 707 516 57 ARG CB C 29.900 0.12 1 708 516 57 ARG HB2 H 1.190 0.03 2 709 516 57 ARG HB3 H 1.540 0.03 2 710 516 57 ARG CG C 27.000 0.12 1 711 516 57 ARG HG3 H 1.290 0.03 9 712 516 57 ARG HG2 H 1.200 0.03 9 713 516 57 ARG CD C 43.700 0.12 1 714 516 57 ARG HD3 H 3.010 0.03 9 715 516 57 ARG HD2 H 2.810 0.03 9 716 516 57 ARG C C 177.910 0.12 1 717 517 58 MET N N 114.700 0.15 1 718 517 58 MET H H 7.350 0.03 1 719 517 58 MET CA C 57.600 0.12 1 720 517 58 MET HA H 4.130 0.03 1 721 517 58 MET CB C 32.900 0.12 1 722 517 58 MET HB2 H 2.070 0.03 2 723 517 58 MET HB3 H 2.120 0.03 2 724 517 58 MET CG C 31.800 0.12 1 725 517 58 MET HG3 H 2.660 0.03 9 726 517 58 MET HG2 H 2.500 0.03 9 727 517 58 MET CE C 16.600 0.12 9 728 517 58 MET HE H 2.030 0.03 9 729 517 58 MET C C 176.840 0.12 1 730 518 59 VAL N N 113.500 0.15 1 731 518 59 VAL H H 7.500 0.03 1 732 518 59 VAL CA C 63.000 0.12 1 733 518 59 VAL HA H 4.140 0.03 1 734 518 59 VAL CB C 32.800 0.12 1 735 518 59 VAL HB H 2.060 0.03 9 736 518 59 VAL CG2 C 19.500 0.12 9 737 518 59 VAL HG2 H 0.720 0.03 9 738 518 59 VAL CG1 C 21.100 0.12 9 739 518 59 VAL HG1 H 0.810 0.03 9 740 518 59 VAL C C 177.660 0.12 1 741 519 60 ASP N N 119.600 0.15 1 742 519 60 ASP H H 8.980 0.03 1 743 519 60 ASP CA C 51.600 0.12 1 744 519 60 ASP HA H 4.880 0.03 1 745 519 60 ASP CB C 41.100 0.12 1 746 519 60 ASP HB2 H 2.430 0.03 2 747 519 60 ASP HB3 H 2.900 0.03 2 748 519 60 ASP C C 176.540 0.12 1 749 520 61 PRO CA C 64.900 0.12 1 750 520 61 PRO HA H 4.200 0.03 1 751 520 61 PRO CB C 31.900 0.12 1 752 520 61 PRO HB2 H 1.990 0.03 2 753 520 61 PRO HB3 H 2.460 0.03 2 754 520 61 PRO CG C 27.100 0.12 1 755 520 61 PRO HG3 H 2.090 0.03 9 756 520 61 PRO HG2 H 2.090 0.03 9 757 520 61 PRO CD C 49.900 0.12 1 758 520 61 PRO HD3 H 3.860 0.03 9 759 520 61 PRO HD2 H 3.400 0.03 9 760 521 62 LYS N N 118.930 0.15 1 761 521 62 LYS H H 8.230 0.03 1 762 521 62 LYS CA C 59.300 0.12 1 763 521 62 LYS HA H 4.140 0.03 1 764 521 62 LYS CB C 31.800 0.12 1 765 521 62 LYS HB2 H 1.850 0.03 2 766 521 62 LYS HB3 H 1.960 0.03 2 767 521 62 LYS CG C 25.000 0.12 1 768 521 62 LYS HG3 H 1.550 0.03 9 769 521 62 LYS HG2 H 1.400 0.03 9 770 521 62 LYS CD C 29.000 0.12 1 771 521 62 LYS HD3 H 1.740 0.03 9 772 521 62 LYS HD2 H 1.740 0.03 9 773 521 62 LYS CE C 42.100 0.12 9 774 521 62 LYS HE3 H 3.022 0.03 9 775 521 62 LYS HE2 H 3.022 0.03 9 776 521 62 LYS C C 179.520 0.12 1 777 522 63 LYS N N 122.200 0.15 1 778 522 63 LYS H H 7.500 0.03 1 779 522 63 LYS CA C 58.000 0.12 1 780 522 63 LYS HA H 4.110 0.03 1 781 522 63 LYS CB C 31.820 0.12 1 782 522 63 LYS HB2 H 1.770 0.03 2 783 522 63 LYS HB3 H 1.950 0.03 2 784 522 63 LYS CG C 24.800 0.12 1 785 522 63 LYS HG3 H 1.410 0.03 9 786 522 63 LYS HG2 H 1.410 0.03 9 787 522 63 LYS CD C 28.800 0.12 1 788 522 63 LYS HD3 H 1.730 0.03 9 789 522 63 LYS HD2 H 1.730 0.03 9 790 522 63 LYS CE C 42.200 0.12 9 791 522 63 LYS HE3 H 2.990 0.03 9 792 522 63 LYS HE2 H 2.990 0.03 9 793 522 63 LYS C C 179.060 0.12 1 794 523 64 ALA N N 120.500 0.15 1 795 523 64 ALA H H 8.120 0.03 1 796 523 64 ALA CA C 54.800 0.12 1 797 523 64 ALA HA H 3.930 0.03 1 798 523 64 ALA CB C 17.600 0.12 1 799 523 64 ALA HB H 1.180 0.03 1 800 523 64 ALA C C 179.050 0.12 1 801 524 65 ALA N N 117.700 0.15 1 802 524 65 ALA H H 7.680 0.03 1 803 524 65 ALA CA C 54.800 0.12 1 804 524 65 ALA HA H 4.230 0.03 1 805 524 65 ALA CB C 17.700 0.12 1 806 524 65 ALA HB H 1.580 0.03 1 807 524 65 ALA C C 178.610 0.12 1 808 525 66 GLN N N 117.100 0.15 1 809 525 66 GLN H H 7.610 0.03 1 810 525 66 GLN CA C 58.300 0.12 1 811 525 66 GLN HA H 4.260 0.03 1 812 525 66 GLN CB C 29.000 0.12 1 813 525 66 GLN HB2 H 2.400 0.03 2 814 525 66 GLN HB3 H 2.310 0.03 2 815 525 66 GLN CG C 33.900 0.12 1 816 525 66 GLN HG3 H 2.460 0.03 9 817 525 66 GLN HG2 H 2.650 0.03 9 818 525 66 GLN NE2 N 111.700 0.15 9 819 525 66 GLN HE21 H 7.450 0.03 9 820 525 66 GLN HE22 H 6.870 0.03 9 821 525 66 GLN C C 180.240 0.12 1 822 526 67 ILE N N 111.000 0.15 1 823 526 67 ILE H H 7.920 0.03 1 824 526 67 ILE CA C 62.000 0.12 1 825 526 67 ILE HA H 4.710 0.03 1 826 526 67 ILE CB C 38.900 0.12 1 827 526 67 ILE HB H 2.390 0.03 9 828 526 67 ILE CG1 C 26.300 0.12 9 829 526 67 ILE HG12 H 1.540 0.03 9 830 526 67 ILE HG13 H 1.740 0.03 9 831 526 67 ILE CD1 C 14.000 0.12 9 832 526 67 ILE HD1 H 1.030 0.03 9 833 526 67 ILE CG2 C 16.900 0.12 9 834 526 67 ILE HG2 H 1.040 0.03 9 835 526 67 ILE C C 178.460 0.12 1 836 527 68 ARG N N 124.200 0.15 1 837 527 68 ARG H H 7.770 0.03 1 838 527 68 ARG CA C 60.700 0.12 1 839 527 68 ARG HA H 3.530 0.03 1 840 527 68 ARG CB C 29.800 0.12 1 841 527 68 ARG HB2 H 1.880 0.03 2 842 527 68 ARG HB3 H 2.270 0.03 2 843 527 68 ARG CG C 27.500 0.12 1 844 527 68 ARG HG3 H 1.520 0.03 9 845 527 68 ARG HG2 H 1.370 0.03 9 846 527 68 ARG CD C 43.200 0.12 1 847 527 68 ARG HD3 H 3.290 0.03 9 848 527 68 ARG HD2 H 3.290 0.03 9 849 527 68 ARG C C 176.640 0.12 1 850 528 69 SER N N 112.600 0.15 1 851 528 69 SER H H 8.880 0.03 1 852 528 69 SER CA C 62.000 0.12 1 853 528 69 SER HA H 4.170 0.03 1 854 528 69 SER CB C 61.800 0.12 1 855 528 69 SER HB2 H 3.960 0.03 1 856 528 69 SER HB3 H 3.960 0.03 1 857 528 69 SER C C 177.270 0.12 1 858 529 70 GLN N N 123.800 0.15 1 859 529 70 GLN H H 7.940 0.03 1 860 529 70 GLN CA C 59.200 0.12 1 861 529 70 GLN HA H 4.180 0.03 1 862 529 70 GLN CB C 28.200 0.12 1 863 529 70 GLN HB2 H 2.300 0.03 1 864 529 70 GLN HB3 H 2.300 0.03 1 865 529 70 GLN CG C 34.000 0.12 1 866 529 70 GLN HG3 H 2.510 0.03 9 867 529 70 GLN HG2 H 2.510 0.03 9 868 529 70 GLN NE2 N 111.600 0.15 9 869 529 70 GLN HE21 H 7.570 0.03 9 870 529 70 GLN HE22 H 6.880 0.03 9 871 529 70 GLN C C 177.050 0.12 1 872 530 71 VAL N N 123.300 0.15 1 873 530 71 VAL H H 8.130 0.03 1 874 530 71 VAL CA C 66.600 0.12 1 875 530 71 VAL HA H 3.590 0.03 1 876 530 71 VAL CB C 31.400 0.12 1 877 530 71 VAL HB H 1.830 0.03 9 878 530 71 VAL CG2 C 22.400 0.12 9 879 530 71 VAL HG2 H 0.960 0.03 9 880 530 71 VAL CG1 C 19.700 0.12 9 881 530 71 VAL HG1 H 0.530 0.03 9 882 530 71 VAL C C 178.940 0.12 1 883 531 72 MET N N 116.900 0.15 1 884 531 72 MET H H 8.530 0.03 1 885 531 72 MET CA C 57.800 0.12 1 886 531 72 MET HA H 4.200 0.03 1 887 531 72 MET CB C 31.200 0.12 1 888 531 72 MET HB2 H 2.060 0.03 2 889 531 72 MET HB3 H 2.180 0.03 2 890 531 72 MET CG C 32.300 0.12 1 891 531 72 MET HG3 H 2.740 0.03 9 892 531 72 MET HG2 H 2.520 0.03 9 893 531 72 MET CE C 17.100 0.12 9 894 531 72 MET HE H 1.920 0.03 9 895 531 72 MET C C 177.660 0.12 1 896 532 73 THR N N 117.900 0.15 1 897 532 73 THR H H 8.350 0.03 1 898 532 73 THR CA C 66.900 0.12 1 899 532 73 THR HA H 3.960 0.03 1 900 532 73 THR CB C 68.600 0.12 1 901 532 73 THR HB H 4.360 0.03 9 902 532 73 THR CG2 C 21.600 0.12 9 903 532 73 THR HG2 H 1.280 0.03 9 904 532 73 THR C C 180.100 0.12 1 905 533 74 HIS N N 121.400 0.15 1 906 533 74 HIS H H 8.160 0.03 1 907 533 74 HIS CA C 59.300 0.12 1 908 533 74 HIS HA H 4.360 0.03 1 909 533 74 HIS CB C 29.000 0.12 1 910 533 74 HIS HB2 H 3.460 0.03 2 911 533 74 HIS HB3 H 3.340 0.03 2 912 533 74 HIS CD2 C 120.200 0.12 9 913 533 74 HIS HD2 H 7.140 0.03 9 914 533 74 HIS CE1 C 137.600 0.12 9 915 533 74 HIS HE1 H 8.560 0.03 9 916 533 74 HIS C C 175.060 0.12 1 917 534 75 LEU N N 116.900 0.15 1 918 534 75 LEU H H 8.360 0.03 1 919 534 75 LEU CA C 58.100 0.12 1 920 534 75 LEU HA H 3.950 0.03 1 921 534 75 LEU CB C 41.100 0.12 1 922 534 75 LEU HB2 H 1.520 0.03 2 923 534 75 LEU HB3 H 2.000 0.03 2 924 534 75 LEU CG C 26.900 0.12 1 925 534 75 LEU HG H 2.000 0.03 9 926 534 75 LEU CD1 C 25.700 0.12 9 927 534 75 LEU HD1 H 0.910 0.03 9 928 534 75 LEU CD2 C 23.200 0.12 9 929 534 75 LEU HD2 H 0.900 0.03 9 930 534 75 LEU C C 177.030 0.12 1 931 535 76 ARG N N 121.472 0.15 1 932 535 76 ARG H H 8.000 0.03 1 933 535 76 ARG CA C 59.400 0.12 1 934 535 76 ARG HA H 4.140 0.03 1 935 535 76 ARG CB C 29.700 0.12 1 936 535 76 ARG HB2 H 2.120 0.03 2 937 535 76 ARG HB3 H 1.990 0.03 2 938 535 76 ARG CG C 27.100 0.12 1 939 535 76 ARG HG3 H 1.770 0.03 9 940 535 76 ARG HG2 H 1.690 0.03 9 941 535 76 ARG CD C 43.200 0.12 1 942 535 76 ARG HD3 H 3.220 0.03 9 943 535 76 ARG HD2 H 3.220 0.03 9 944 535 76 ARG C C 179.140 0.12 1 945 536 77 VAL N N 121.300 0.15 1 946 536 77 VAL H H 8.360 0.03 1 947 536 77 VAL CA C 66.700 0.12 1 948 536 77 VAL HA H 3.670 0.03 1 949 536 77 VAL CB C 31.280 0.12 1 950 536 77 VAL HB H 2.280 0.03 9 951 536 77 VAL CG2 C 23.000 0.12 9 952 536 77 VAL HG2 H 1.100 0.03 9 953 536 77 VAL CG1 C 20.900 0.12 9 954 536 77 VAL HG1 H 0.920 0.03 9 955 536 77 VAL C C 178.100 0.12 1 956 537 78 ILE N N 119.400 0.15 1 957 537 78 ILE H H 7.680 0.03 1 958 537 78 ILE CA C 65.900 0.12 1 959 537 78 ILE HA H 3.550 0.03 1 960 537 78 ILE CB C 38.600 0.12 1 961 537 78 ILE HB H 1.760 0.03 9 962 537 78 ILE CG1 C 27.800 0.12 9 963 537 78 ILE HG12 H 0.930 0.03 9 964 537 78 ILE HG13 H 1.460 0.03 9 965 537 78 ILE CD1 C 14.200 0.12 9 966 537 78 ILE HD1 H 0.680 0.03 9 967 537 78 ILE CG2 C 16.600 0.12 9 968 537 78 ILE HG2 H 0.830 0.03 9 969 537 78 ILE C C 178.760 0.12 1 970 538 79 TYR N N 118.500 0.15 1 971 538 79 TYR H H 7.650 0.03 1 972 538 79 TYR CA C 61.200 0.12 1 973 538 79 TYR HA H 4.160 0.03 1 974 538 79 TYR CB C 38.000 0.12 1 975 538 79 TYR HB2 H 3.210 0.03 2 976 538 79 TYR HB3 H 3.180 0.03 2 977 538 79 TYR CD1 C 133.200 0.12 9 978 538 79 TYR HD1 H 7.110 0.03 9 979 538 79 TYR CE1 C 118.100 0.12 9 980 538 79 TYR HE1 H 6.810 0.03 9 981 538 79 TYR CE2 C 118.100 0.12 9 982 538 79 TYR HE2 H 6.810 0.03 9 983 538 79 TYR CD2 C 133.200 0.12 9 984 538 79 TYR HD2 H 7.110 0.03 9 985 538 79 TYR C C 179.120 0.12 1 986 539 80 GLU N N 119.300 0.15 1 987 539 80 GLU H H 8.780 0.03 1 988 539 80 GLU CA C 59.400 0.12 1 989 539 80 GLU HA H 4.000 0.03 1 990 539 80 GLU CB C 29.500 0.12 1 991 539 80 GLU HB2 H 2.150 0.03 2 992 539 80 GLU HB3 H 2.080 0.03 2 993 539 80 GLU CG C 36.700 0.12 1 994 539 80 GLU HG3 H 2.620 0.03 9 995 539 80 GLU HG2 H 2.380 0.03 9 996 539 80 GLU C C 178.270 0.12 1 997 540 81 ARG N N 122.700 0.15 1 998 540 81 ARG H H 8.740 0.03 1 999 540 81 ARG CA C 59.700 0.12 1 1000 540 81 ARG HA H 4.180 0.03 1 1001 540 81 ARG CB C 30.300 0.12 1 1002 540 81 ARG HB2 H 2.140 0.03 2 1003 540 81 ARG HB3 H 1.890 0.03 2 1004 540 81 ARG CG C 26.700 0.12 1 1005 540 81 ARG HG3 H 1.750 0.03 9 1006 540 81 ARG HG2 H 1.750 0.03 9 1007 540 81 ARG CD C 43.900 0.12 1 1008 540 81 ARG HD3 H 3.160 0.03 9 1009 540 81 ARG HD2 H 3.160 0.03 9 1010 540 81 ARG C C 179.380 0.12 1 1011 541 82 MET N N 121.600 0.15 1 1012 541 82 MET H H 8.870 0.03 1 1013 541 82 MET CA C 59.620 0.12 1 1014 541 82 MET HA H 4.640 0.03 1 1015 541 82 MET CB C 33.100 0.12 1 1016 541 82 MET HB2 H 2.140 0.03 1 1017 541 82 MET HB3 H 2.140 0.03 1 1018 541 82 MET CG C 32.200 0.12 1 1019 541 82 MET HG3 H 2.590 0.03 9 1020 541 82 MET HG2 H 2.290 0.03 9 1021 541 82 MET CE C 16.800 0.12 9 1022 541 82 MET HE H 1.950 0.03 9 1023 541 82 MET C C 179.250 0.12 1 1024 542 83 ASN N N 117.500 0.15 1 1025 542 83 ASN H H 8.100 0.03 1 1026 542 83 ASN CA C 56.700 0.12 1 1027 542 83 ASN HA H 4.400 0.03 1 1028 542 83 ASN CB C 38.012 0.12 1 1029 542 83 ASN HB2 H 2.710 0.03 1 1030 542 83 ASN HB3 H 2.710 0.03 1 1031 542 83 ASN ND2 N 111.600 0.15 9 1032 542 83 ASN HD21 H 7.310 0.03 9 1033 542 83 ASN HD22 H 6.070 0.03 9 1034 542 83 ASN C C 178.580 0.12 1 1035 543 84 GLN N N 121.700 0.15 1 1036 543 84 GLN H H 8.410 0.03 1 1037 543 84 GLN CA C 59.200 0.12 1 1038 543 84 GLN HA H 4.120 0.03 1 1039 543 84 GLN CB C 27.900 0.12 1 1040 543 84 GLN HB2 H 2.260 0.03 1 1041 543 84 GLN HB3 H 2.260 0.03 1 1042 543 84 GLN CG C 33.600 0.12 1 1043 543 84 GLN HG3 H 2.510 0.03 9 1044 543 84 GLN HG2 H 2.440 0.03 9 1045 543 84 GLN NE2 N 111.500 0.15 9 1046 543 84 GLN HE21 H 7.490 0.03 9 1047 543 84 GLN HE22 H 6.790 0.03 9 1048 543 84 GLN C C 178.510 0.12 1 1049 544 85 SER N N 118.300 0.15 1 1050 544 85 SER H H 8.790 0.03 1 1051 544 85 SER CA C 62.000 0.12 1 1052 544 85 SER HA H 4.200 0.03 1 1053 544 85 SER CB C 62.200 0.12 1 1054 544 85 SER HB2 H 3.530 0.03 1 1055 544 85 SER HB3 H 3.530 0.03 1 1056 544 85 SER C C 179.430 0.12 1 1057 545 86 LEU N N 125.700 0.15 1 1058 545 86 LEU H H 8.750 0.03 1 1059 545 86 LEU CA C 57.600 0.12 1 1060 545 86 LEU HA H 4.050 0.03 1 1061 545 86 LEU CB C 40.800 0.12 1 1062 545 86 LEU HB2 H 1.600 0.03 2 1063 545 86 LEU HB3 H 1.980 0.03 2 1064 545 86 LEU CG C 27.700 0.12 1 1065 545 86 LEU HG H 1.830 0.03 9 1066 545 86 LEU CD1 C 25.200 0.12 9 1067 545 86 LEU HD1 H 0.910 0.03 9 1068 545 86 LEU CD2 C 23.100 0.12 9 1069 545 86 LEU HD2 H 0.820 0.03 9 1070 545 86 LEU C C 177.320 0.12 1 1071 546 87 SER N N 114.500 0.15 1 1072 546 87 SER H H 7.920 0.03 1 1073 546 87 SER CA C 61.800 0.12 1 1074 546 87 SER HA H 4.240 0.03 1 1075 546 87 SER CB C 62.000 0.12 1 1076 546 87 SER HB2 H 4.080 0.03 1 1077 546 87 SER HB3 H 4.080 0.03 1 1078 546 87 SER C C 178.470 0.12 1 1079 547 88 LEU N N 119.400 0.15 1 1080 547 88 LEU H H 7.240 0.03 1 1081 547 88 LEU CA C 56.960 0.12 1 1082 547 88 LEU HA H 4.010 0.03 1 1083 547 88 LEU CB C 41.500 0.12 1 1084 547 88 LEU HB2 H 1.800 0.03 2 1085 547 88 LEU HB3 H 1.370 0.03 2 1086 547 88 LEU CG C 25.900 0.12 1 1087 547 88 LEU HG H 1.980 0.03 9 1088 547 88 LEU CD1 C 25.400 0.12 9 1089 547 88 LEU HD1 H 0.870 0.03 9 1090 547 88 LEU CD2 C 21.600 0.12 9 1091 547 88 LEU HD2 H 0.790 0.03 9 1092 547 88 LEU C C 176.040 0.12 1 1093 548 89 LEU N N 118.800 0.15 1 1094 548 89 LEU H H 7.230 0.03 1 1095 548 89 LEU CA C 57.700 0.12 1 1096 548 89 LEU HA H 3.960 0.03 1 1097 548 89 LEU CB C 41.400 0.12 1 1098 548 89 LEU HB2 H 1.780 0.03 2 1099 548 89 LEU HB3 H 1.630 0.03 2 1100 548 89 LEU CG C 26.800 0.12 1 1101 548 89 LEU HG H 1.440 0.03 9 1102 548 89 LEU CD1 C 24.700 0.12 9 1103 548 89 LEU HD1 H 0.810 0.03 9 1104 548 89 LEU CD2 C 25.800 0.12 9 1105 548 89 LEU HD2 H 0.780 0.03 9 1106 548 89 LEU C C 179.210 0.12 1 1107 549 90 TYR N N 113.300 0.15 1 1108 549 90 TYR H H 7.080 0.03 1 1109 549 90 TYR CA C 59.300 0.12 1 1110 549 90 TYR HA H 4.080 0.03 1 1111 549 90 TYR CB C 36.400 0.12 1 1112 549 90 TYR HB2 H 3.290 0.03 2 1113 549 90 TYR HB3 H 2.880 0.03 2 1114 549 90 TYR CD1 C 132.500 0.12 9 1115 549 90 TYR HD1 H 7.140 0.03 9 1116 549 90 TYR CE1 C 118.100 0.12 9 1117 549 90 TYR HE1 H 6.820 0.03 9 1118 549 90 TYR CE2 C 118.100 0.12 9 1119 549 90 TYR HE2 H 6.820 0.03 9 1120 549 90 TYR CD2 C 132.500 0.12 9 1121 549 90 TYR HD2 H 7.140 0.03 9 1122 549 90 TYR C C 177.950 0.12 1 1123 550 91 ASN N N 115.500 0.15 1 1124 550 91 ASN H H 7.540 0.03 1 1125 550 91 ASN CA C 53.600 0.12 1 1126 550 91 ASN HA H 4.810 0.03 1 1127 550 91 ASN CB C 38.800 0.12 1 1128 550 91 ASN HB2 H 3.050 0.03 2 1129 550 91 ASN HB3 H 2.920 0.03 2 1130 550 91 ASN ND2 N 112.100 0.15 9 1131 550 91 ASN HD21 H 7.560 0.03 9 1132 550 91 ASN HD22 H 7.030 0.03 9 1133 550 91 ASN C C 176.420 0.12 1 1134 551 92 VAL N N 119.600 0.15 1 1135 551 92 VAL H H 7.830 0.03 1 1136 551 92 VAL CA C 59.200 0.12 1 1137 551 92 VAL HA H 4.650 0.03 1 1138 551 92 VAL CB C 31.190 0.12 1 1139 551 92 VAL HB H 2.380 0.03 9 1140 551 92 VAL CG2 C 20.000 0.12 9 1141 551 92 VAL HG2 H 1.000 0.03 9 1142 551 92 VAL CG1 C 23.000 0.12 9 1143 551 92 VAL HG1 H 1.080 0.03 9 1144 551 92 VAL C C 174.690 0.12 1 1145 552 93 PRO CA C 66.000 0.12 1 1146 552 93 PRO HA H 4.260 0.03 1 1147 552 93 PRO CB C 31.900 0.12 1 1148 552 93 PRO HB2 H 2.050 0.03 2 1149 552 93 PRO HB3 H 2.470 0.03 2 1150 552 93 PRO CG C 27.300 0.12 1 1151 552 93 PRO HG3 H 2.140 0.03 9 1152 552 93 PRO HG2 H 2.070 0.03 9 1153 552 93 PRO CD C 50.700 0.12 1 1154 552 93 PRO HD3 H 3.860 0.03 9 1155 552 93 PRO HD2 H 3.530 0.03 9 1156 553 94 ALA N N 117.700 0.15 1 1157 553 94 ALA H H 8.740 0.03 1 1158 553 94 ALA CA C 54.800 0.12 1 1159 553 94 ALA HA H 4.230 0.03 1 1160 553 94 ALA CB C 18.600 0.12 1 1161 553 94 ALA HB H 1.470 0.03 1 1162 553 94 ALA C C 177.560 0.12 1 1163 554 95 VAL N N 115.000 0.15 1 1164 554 95 VAL H H 7.540 0.03 1 1165 554 95 VAL CA C 64.900 0.12 1 1166 554 95 VAL HA H 3.830 0.03 1 1167 554 95 VAL CB C 31.900 0.12 1 1168 554 95 VAL HB H 2.260 0.03 9 1169 554 95 VAL CG2 C 23.500 0.12 9 1170 554 95 VAL HG2 H 1.020 0.03 9 1171 554 95 VAL CG1 C 21.800 0.12 9 1172 554 95 VAL HG1 H 0.910 0.03 9 1173 554 95 VAL C C 180.470 0.12 1 1174 555 96 ALA N N 121.500 0.15 1 1175 555 96 ALA H H 8.190 0.03 1 1176 555 96 ALA CA C 55.900 0.12 1 1177 555 96 ALA HA H 3.660 0.03 1 1178 555 96 ALA CB C 18.200 0.12 1 1179 555 96 ALA HB H 1.400 0.03 1 1180 555 96 ALA C C 173.800 0.12 1 1181 556 97 GLU N N 113.000 0.15 1 1182 556 97 GLU H H 8.470 0.03 1 1183 556 97 GLU CA C 59.000 0.12 1 1184 556 97 GLU HA H 4.050 0.03 1 1185 556 97 GLU CB C 29.700 0.12 1 1186 556 97 GLU HB2 H 2.050 0.03 2 1187 556 97 GLU HB3 H 2.120 0.03 2 1188 556 97 GLU CG C 36.300 0.12 1 1189 556 97 GLU HG3 H 2.430 0.03 9 1190 556 97 GLU HG2 H 2.360 0.03 9 1191 556 97 GLU C C 179.030 0.12 1 1192 557 98 GLU N N 116.000 0.15 1 1193 557 98 GLU H H 7.190 0.03 1 1194 557 98 GLU CA C 58.300 0.12 1 1195 557 98 GLU HA H 4.320 0.03 1 1196 557 98 GLU CB C 30.300 0.12 1 1197 557 98 GLU HB2 H 2.170 0.03 1 1198 557 98 GLU HB3 H 2.170 0.03 1 1199 557 98 GLU CG C 36.100 0.12 1 1200 557 98 GLU HG3 H 2.420 0.03 9 1201 557 98 GLU HG2 H 2.290 0.03 9 1202 557 98 GLU C C 178.440 0.12 1 1203 558 99 ILE N N 107.200 0.15 1 1204 558 99 ILE H H 7.340 0.03 1 1205 558 99 ILE CA C 60.900 0.12 1 1206 558 99 ILE HA H 4.900 0.03 1 1207 558 99 ILE CB C 39.500 0.12 1 1208 558 99 ILE HB H 2.210 0.03 9 1209 558 99 ILE CG1 C 25.200 0.12 9 1210 558 99 ILE HG12 H 1.430 0.03 9 1211 558 99 ILE HG13 H 1.140 0.03 9 1212 558 99 ILE CD1 C 14.400 0.12 9 1213 558 99 ILE HD1 H 0.910 0.03 9 1214 558 99 ILE CG2 C 17.100 0.12 9 1215 558 99 ILE HG2 H 0.820 0.03 9 1216 558 99 ILE C C 178.150 0.12 1 1217 559 100 GLN N N 123.000 0.15 1 1218 559 100 GLN H H 7.940 0.03 1 1219 559 100 GLN CA C 59.800 0.12 1 1220 559 100 GLN HA H 3.900 0.03 1 1221 559 100 GLN CB C 28.300 0.12 1 1222 559 100 GLN HB2 H 2.480 0.03 2 1223 559 100 GLN HB3 H 2.090 0.03 2 1224 559 100 GLN CG C 32.900 0.12 1 1225 559 100 GLN HG3 H 2.440 0.03 9 1226 559 100 GLN HG2 H 2.380 0.03 9 1227 559 100 GLN NE2 N 112.300 0.15 9 1228 559 100 GLN HE21 H 7.720 0.03 9 1229 559 100 GLN HE22 H 6.620 0.03 9 1230 559 100 GLN C C 176.380 0.12 1 1231 560 101 ASP N N 118.400 0.15 1 1232 560 101 ASP H H 8.560 0.03 1 1233 560 101 ASP CA C 57.800 0.12 1 1234 560 101 ASP HA H 4.410 0.03 1 1235 560 101 ASP CB C 39.700 0.12 1 1236 560 101 ASP HB2 H 2.660 0.03 1 1237 560 101 ASP HB3 H 2.660 0.03 1 1238 560 101 ASP C C 176.960 0.12 1 1239 561 102 GLU N N 121.100 0.15 1 1240 561 102 GLU H H 7.940 0.03 1 1241 561 102 GLU CA C 59.300 0.12 1 1242 561 102 GLU HA H 3.980 0.03 1 1243 561 102 GLU CB C 29.400 0.12 1 1244 561 102 GLU HB2 H 1.590 0.03 2 1245 561 102 GLU HB3 H 1.500 0.03 2 1246 561 102 GLU CG C 37.300 0.12 1 1247 561 102 GLU HG3 H 1.980 0.03 9 1248 561 102 GLU HG2 H 1.980 0.03 9 1249 561 102 GLU C C 178.660 0.12 1 1250 562 103 VAL N N 122.700 0.15 1 1251 562 103 VAL H H 8.420 0.03 1 1252 562 103 VAL CA C 67.300 0.12 1 1253 562 103 VAL HA H 3.680 0.03 1 1254 562 103 VAL CB C 31.300 0.12 1 1255 562 103 VAL HB H 2.300 0.03 9 1256 562 103 VAL CG2 C 24.100 0.12 9 1257 562 103 VAL HG2 H 1.080 0.03 9 1258 562 103 VAL CG1 C 21.600 0.12 9 1259 562 103 VAL HG1 H 0.950 0.03 9 1260 562 103 VAL C C 179.750 0.12 1 1261 563 104 ASP N N 119.900 0.15 1 1262 563 104 ASP H H 8.500 0.03 1 1263 563 104 ASP CA C 57.700 0.12 1 1264 563 104 ASP HA H 4.400 0.03 1 1265 563 104 ASP CB C 40.100 0.12 1 1266 563 104 ASP HB2 H 2.670 0.03 2 1267 563 104 ASP HB3 H 2.870 0.03 2 1268 563 104 ASP C C 176.890 0.12 1 1269 564 105 GLU N N 118.400 0.15 1 1270 564 105 GLU H H 7.660 0.03 1 1271 564 105 GLU CA C 59.200 0.12 1 1272 564 105 GLU HA H 4.050 0.03 1 1273 564 105 GLU CB C 29.500 0.12 1 1274 564 105 GLU HB2 H 2.120 0.03 1 1275 564 105 GLU HB3 H 2.120 0.03 1 1276 564 105 GLU CG C 36.200 0.12 1 1277 564 105 GLU HG3 H 2.400 0.03 9 1278 564 105 GLU HG2 H 2.260 0.03 9 1279 564 105 GLU C C 177.060 0.12 1 1280 565 106 LEU N N 120.800 0.15 1 1281 565 106 LEU H H 7.920 0.03 1 1282 565 106 LEU CA C 57.700 0.12 1 1283 565 106 LEU HA H 4.220 0.03 1 1284 565 106 LEU CB C 42.400 0.12 1 1285 565 106 LEU HB2 H 2.220 0.03 2 1286 565 106 LEU HB3 H 1.980 0.03 2 1287 565 106 LEU CG C 26.920 0.12 1 1288 565 106 LEU HG H 1.690 0.03 9 1289 565 106 LEU CD1 C 24.100 0.12 9 1290 565 106 LEU HD1 H 0.950 0.03 9 1291 565 106 LEU CD2 C 25.300 0.12 9 1292 565 106 LEU HD2 H 0.790 0.03 9 1293 565 106 LEU C C 178.400 0.12 1 1294 566 107 LEU N N 116.700 0.15 1 1295 566 107 LEU H H 8.120 0.03 1 1296 566 107 LEU CA C 56.000 0.12 1 1297 566 107 LEU HA H 4.100 0.03 1 1298 566 107 LEU CB C 41.300 0.12 1 1299 566 107 LEU HB2 H 1.890 0.03 2 1300 566 107 LEU HB3 H 1.610 0.03 2 1301 566 107 LEU CG C 26.600 0.12 1 1302 566 107 LEU HG H 1.900 0.03 9 1303 566 107 LEU CD1 C 25.300 0.12 9 1304 566 107 LEU HD1 H 0.900 0.03 9 1305 566 107 LEU CD2 C 22.200 0.12 9 1306 566 107 LEU HD2 H 0.780 0.03 9 1307 566 107 LEU C C 178.510 0.12 1 1308 567 108 GLN N N 118.100 0.15 1 1309 567 108 GLN H H 7.830 0.03 1 1310 567 108 GLN CA C 57.600 0.12 1 1311 567 108 GLN HA H 4.160 0.03 1 1312 567 108 GLN CB C 28.700 0.12 1 1313 567 108 GLN HB2 H 2.180 0.03 1 1314 567 108 GLN HB3 H 2.180 0.03 1 1315 567 108 GLN CG C 33.800 0.12 1 1316 567 108 GLN HG3 H 2.470 0.03 9 1317 567 108 GLN HG2 H 2.470 0.03 9 1318 567 108 GLN NE2 N 112.000 0.15 9 1319 567 108 GLN HE21 H 7.480 0.03 9 1320 567 108 GLN HE22 H 6.820 0.03 9 1321 567 108 GLN C C 178.480 0.12 1 1322 568 109 LYS N N 118.900 0.15 1 1323 568 109 LYS H H 7.950 0.03 1 1324 568 109 LYS CA C 57.400 0.12 1 1325 568 109 LYS HA H 4.240 0.03 1 1326 568 109 LYS CB C 32.600 0.12 1 1327 568 109 LYS HB2 H 1.910 0.03 1 1328 568 109 LYS HB3 H 1.910 0.03 1 1329 568 109 LYS CG C 25.000 0.12 1 1330 568 109 LYS HG3 H 1.460 0.03 9 1331 568 109 LYS HG2 H 1.550 0.03 9 1332 568 109 LYS CD C 29.100 0.12 1 1333 568 109 LYS HD3 H 1.690 0.03 9 1334 568 109 LYS HD2 H 1.690 0.03 9 1335 568 109 LYS CE C 42.200 0.12 9 1336 568 109 LYS HE3 H 3.000 0.03 9 1337 568 109 LYS HE2 H 3.000 0.03 9 1338 568 109 LYS C C 177.100 0.12 1 1339 569 110 GLU N N 119.500 0.15 1 1340 569 110 GLU H H 8.150 0.03 1 1341 569 110 GLU CA C 56.700 0.12 1 1342 569 110 GLU HA H 4.250 0.03 1 1343 569 110 GLU CB C 29.700 0.12 1 1344 569 110 GLU HB2 H 2.110 0.03 2 1345 569 110 GLU HB3 H 1.900 0.03 2 1346 569 110 GLU CG C 36.100 0.12 1 1347 569 110 GLU HG3 H 2.260 0.03 9 1348 569 110 GLU HG2 H 2.260 0.03 9 1349 569 110 GLU C C 177.440 0.12 1 1350 570 111 GLN N N 119.300 0.15 1 1351 570 111 GLN H H 8.070 0.03 1 1352 570 111 GLN CA C 55.930 0.12 1 1353 570 111 GLN HA H 4.240 0.03 1 1354 570 111 GLN CB C 29.100 0.12 1 1355 570 111 GLN HB2 H 2.010 0.03 2 1356 570 111 GLN HB3 H 1.940 0.03 2 1357 570 111 GLN CG C 33.700 0.12 1 1358 570 111 GLN HG3 H 2.270 0.03 9 1359 570 111 GLN HG2 H 2.270 0.03 9 1360 570 111 GLN NE2 N 111.900 0.15 9 1361 570 111 GLN HE21 H 7.390 0.03 9 1362 570 111 GLN HE22 H 6.800 0.03 9 1363 570 111 GLN C C 176.610 0.12 1 1364 571 112 ASN N N 118.900 0.15 1 1365 571 112 ASN H H 8.140 0.03 1 1366 571 112 ASN CA C 53.100 0.12 1 1367 571 112 ASN HA H 4.630 0.03 1 1368 571 112 ASN CB C 38.800 0.12 1 1369 571 112 ASN HB2 H 2.740 0.03 2 1370 571 112 ASN HB3 H 2.660 0.03 2 1371 571 112 ASN ND2 N 112.300 0.15 9 1372 571 112 ASN HD21 H 7.530 0.03 9 1373 571 112 ASN HD22 H 6.870 0.03 9 1374 571 112 ASN C C 175.330 0.12 1 1375 572 113 TYR N N 120.600 0.15 1 1376 572 113 TYR H H 7.970 0.03 1 1377 572 113 TYR CA C 58.000 0.12 1 1378 572 113 TYR HA H 4.510 0.03 1 1379 572 113 TYR CB C 38.300 0.12 1 1380 572 113 TYR HB2 H 3.010 0.03 2 1381 572 113 TYR HB3 H 2.890 0.03 2 1382 572 113 TYR CD1 C 133.000 0.12 9 1383 572 113 TYR HD1 H 7.010 0.03 9 1384 572 113 TYR CE1 C 118.100 0.12 9 1385 572 113 TYR HE1 H 6.760 0.03 9 1386 572 113 TYR CE2 C 118.100 0.12 9 1387 572 113 TYR HE2 H 6.760 0.03 9 1388 572 113 TYR CD2 C 133.000 0.12 9 1389 572 113 TYR HD2 H 7.010 0.03 9 1390 572 113 TYR C C 174.720 0.12 1 1391 573 114 SER N N 116.700 0.15 1 1392 573 114 SER H H 8.030 0.03 1 1393 573 114 SER CA C 57.900 0.12 1 1394 573 114 SER HA H 4.360 0.03 1 1395 573 114 SER CB C 63.800 0.12 1 1396 573 114 SER HB2 H 3.810 0.03 2 1397 573 114 SER HB3 H 3.720 0.03 2 1398 573 114 SER C C 175.490 0.12 1 1399 574 115 ASP N N 122.200 0.15 1 1400 574 115 ASP H H 8.190 0.03 1 1401 574 115 ASP CA C 54.300 0.12 1 1402 574 115 ASP HA H 4.620 0.03 1 1403 574 115 ASP CB C 41.236 0.12 1 1404 574 115 ASP HB2 H 2.670 0.03 2 1405 574 115 ASP HB3 H 2.580 0.03 2 1406 574 115 ASP C C 173.750 0.12 1 1407 575 116 ASP N N 120.500 0.15 1 1408 575 116 ASP H H 8.200 0.03 1 1409 575 116 ASP CA C 54.400 0.12 1 1410 575 116 ASP HA H 4.620 0.03 1 1411 575 116 ASP CB C 41.100 0.12 1 1412 575 116 ASP HB2 H 2.550 0.03 2 1413 575 116 ASP HB3 H 2.690 0.03 2 1414 575 116 ASP C C 175.470 0.12 1 1415 576 117 VAL N N 123.168 0.15 1 1416 576 117 VAL H H 7.514 0.03 1 1417 576 117 VAL CA C 63.360 0.12 1 1418 576 117 VAL HA H 3.990 0.03 1 1419 576 117 VAL CB C 33.000 0.12 1 1420 576 117 VAL HB H 2.010 0.03 9 1421 576 117 VAL CG2 C 20.100 0.12 9 1422 576 117 VAL HG2 H 0.770 0.03 9 1423 576 117 VAL CG1 C 21.600 0.12 9 1424 576 117 VAL HG1 H 0.790 0.03 9 1425 576 117 VAL C C 175.000 0.12 1 stop_ save_