data_18466 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Wild-type FAS1-4 ; _BMRB_accession_number 18466 _BMRB_flat_file_name bmr18466.str _Entry_type original _Submission_date 2012-05-16 _Accession_date 2012-05-16 _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 Underhaug Jarl . . 2 Nielsen 'Niels Chr.' . . 3 Runager Kasper . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 662 "13C chemical shifts" 498 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-13 update BMRB 'update entry citation' 2013-08-15 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18467 'FAS1-4, R555W' stop_ save_ ############################# # Citation for this entry # ############################# save_Citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Mutation in transforming growth factor beta induced protein associated with granular corneal dystrophy type 1 reduces the proteolytic susceptibility through local structural stabilization.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24129074 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Underhaug Jarl . . 2 Kolds Heidi . . 3 Runager Kasper . . 4 Nielsen 'Jakob Toudahl' . . 5 Srensen Charlotte S. . 6 Kristensen Torsten . . 7 Otzen Daniel E. . 8 Karring Henrik . . 9 Malmendal Anders . . 10 Schitt Birgit . . 11 Enghild Jan J. . 12 Nielsen 'Niels Chr' . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1834 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2812 _Page_last 2822 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Wild-type FAS1-4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Wild-type FAS1-4' $Wild-type_FAS1-4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Wild-type_FAS1-4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Wild-type_FAS1-4 _Molecular_mass 14481.799 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; AGMGTVMDVLKGDNRFSMLV AAIQSAGLTETLNREGVYTV FAPTNEAFRALPPRERSRLL GDAKELANILKYHIGDEILV SGGIGALVRLKSLQGDKLEV SLKNNVVSVNKEPVAEPDIM ATNGVVHVITNVLQP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 500 ALA 2 501 GLY 3 502 MET 4 503 GLY 5 504 THR 6 505 VAL 7 506 MET 8 507 ASP 9 508 VAL 10 509 LEU 11 510 LYS 12 511 GLY 13 512 ASP 14 513 ASN 15 514 ARG 16 515 PHE 17 516 SER 18 517 MET 19 518 LEU 20 519 VAL 21 520 ALA 22 521 ALA 23 522 ILE 24 523 GLN 25 524 SER 26 525 ALA 27 526 GLY 28 527 LEU 29 528 THR 30 529 GLU 31 530 THR 32 531 LEU 33 532 ASN 34 533 ARG 35 534 GLU 36 535 GLY 37 536 VAL 38 537 TYR 39 538 THR 40 539 VAL 41 540 PHE 42 541 ALA 43 542 PRO 44 543 THR 45 544 ASN 46 545 GLU 47 546 ALA 48 547 PHE 49 548 ARG 50 549 ALA 51 550 LEU 52 551 PRO 53 552 PRO 54 553 ARG 55 554 GLU 56 555 ARG 57 556 SER 58 557 ARG 59 558 LEU 60 559 LEU 61 560 GLY 62 561 ASP 63 562 ALA 64 563 LYS 65 564 GLU 66 565 LEU 67 566 ALA 68 567 ASN 69 568 ILE 70 569 LEU 71 570 LYS 72 571 TYR 73 572 HIS 74 573 ILE 75 574 GLY 76 575 ASP 77 576 GLU 78 577 ILE 79 578 LEU 80 579 VAL 81 580 SER 82 581 GLY 83 582 GLY 84 583 ILE 85 584 GLY 86 585 ALA 87 586 LEU 88 587 VAL 89 588 ARG 90 589 LEU 91 590 LYS 92 591 SER 93 592 LEU 94 593 GLN 95 594 GLY 96 595 ASP 97 596 LYS 98 597 LEU 99 598 GLU 100 599 VAL 101 600 SER 102 601 LEU 103 602 LYS 104 603 ASN 105 604 ASN 106 605 VAL 107 606 VAL 108 607 SER 109 608 VAL 110 609 ASN 111 610 LYS 112 611 GLU 113 612 PRO 114 613 VAL 115 614 ALA 116 615 GLU 117 616 PRO 118 617 ASP 119 618 ILE 120 619 MET 121 620 ALA 122 621 THR 123 622 ASN 124 623 GLY 125 624 VAL 126 625 VAL 127 626 HIS 128 627 VAL 129 628 ILE 130 629 THR 131 630 ASN 132 631 VAL 133 632 LEU 134 633 GLN 135 634 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-23 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 11311 "FAS1 domain" 100.00 146 99.26 100.00 3.26e-90 BMRB 18467 FAS1-4_R555W 99.26 135 99.25 99.25 9.93e-89 BMRB 25425 FAS1-4_domain_of_TGFBIp 100.00 158 99.26 99.26 1.23e-89 PDB 1X3B "Solution Structure Of The Fas1 Domain Of Human Transforming Growth Factor-Beta Induced Protein Ig-H3" 100.00 146 99.26 100.00 3.26e-90 PDB 2LTB "Wild-type Fas1-4" 100.00 135 100.00 100.00 1.40e-90 PDB 2LTC "Fas1-4, R555w" 99.26 135 99.25 99.25 9.93e-89 PDB 2VXP "The Fourth Fas1 Domain Structure Of Human Bigh3" 97.78 132 100.00 100.00 3.19e-88 GB AAC24944 "BIGH3 [Homo sapiens]" 98.52 212 100.00 100.00 1.88e-88 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Wild-type_FAS1-4 Humans 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Wild-type_FAS1-4 'recombinant technology' . Escherichia coli BL21(DE3) 'pET SUMO' 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 $Wild-type_FAS1-4 0.2 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DSS 0.5 mM 'natural abundance' 'sodium azide' 0.5 % 'natural abundance' arginine 50 mM 'natural abundance' glutamate 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type 'gel solution' _Details '7% stretched polyacrylamide' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Wild-type_FAS1-4 0.2 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DSS 0.5 mM 'natural abundance' 'sodium azide' 0.5 % 'natural abundance' arginine 50 mM 'natural abundance' glutamate 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_REDCAT _Saveframe_category software _Name REDCAT _Version . loop_ _Vendor _Address _Electronic_address 'Valafar, Homayoun, and James H. Prestegard' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNSSOLVE _Saveframe_category software _Name CNSSOLVE _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_15N-TOCSY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-TOCSY-HSQC' _Sample_label $sample_1 save_ save_3D_13C-NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_15N-NOESY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY-HSQC' _Sample_label $sample_1 save_ save_2D_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_IPAP-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-HSQC' _Sample_label $sample_1 save_ save_2D_IPAP-HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_Wild-type_FAS1-4_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D CBCANH' '3D HNCO' '3D HNCA' '3D HN(CA)CO' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 15N-TOCSY-HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Wild-type FAS1-4' _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 1 502 3 MET C C 175.880 0.000 1 2 502 3 MET CA C 55.950 0.040 1 3 502 3 MET CB C 34.203 0.000 1 4 503 4 GLY H H 8.375 0.002 1 5 503 4 GLY HA2 H 4.393 0.004 2 6 503 4 GLY HA3 H 4.163 0.004 2 7 503 4 GLY C C 174.009 0.000 1 8 503 4 GLY CA C 44.477 0.039 1 9 503 4 GLY N N 111.090 0.026 1 10 504 5 THR H H 9.227 0.005 1 11 504 5 THR HA H 4.437 0.005 1 12 504 5 THR HB H 4.725 0.008 1 13 504 5 THR HG1 H 5.027 0.012 1 14 504 5 THR HG2 H 1.220 0.002 1 15 504 5 THR C C 176.361 0.000 1 16 504 5 THR CA C 61.972 0.028 1 17 504 5 THR CB C 73.041 0.048 1 18 504 5 THR CG2 C 21.779 0.095 1 19 504 5 THR N N 111.543 0.050 1 20 505 6 VAL H H 9.896 0.005 1 21 505 6 VAL HA H 3.253 0.006 1 22 505 6 VAL HB H 1.987 0.002 1 23 505 6 VAL HG1 H 0.794 0.005 2 24 505 6 VAL HG2 H 0.703 0.002 2 25 505 6 VAL C C 177.287 0.000 1 26 505 6 VAL CA C 67.124 0.088 1 27 505 6 VAL CB C 31.497 0.000 1 28 505 6 VAL CG1 C 21.331 0.057 2 29 505 6 VAL CG2 C 22.314 0.031 2 30 505 6 VAL N N 118.236 0.051 1 31 506 7 MET H H 6.970 0.005 1 32 506 7 MET HA H 4.358 0.003 1 33 506 7 MET HB2 H 1.638 0.008 2 34 506 7 MET HB3 H 1.875 0.004 2 35 506 7 MET HG2 H 2.343 0.006 2 36 506 7 MET HG3 H 2.498 0.002 2 37 506 7 MET HE H 1.998 0.001 1 38 506 7 MET C C 178.126 0.000 1 39 506 7 MET CA C 56.050 0.077 1 40 506 7 MET CB C 30.608 0.000 1 41 506 7 MET CG C 31.511 0.042 1 42 506 7 MET CE C 16.633 0.026 1 43 506 7 MET N N 114.146 0.040 1 44 507 8 ASP H H 7.433 0.005 1 45 507 8 ASP HA H 4.253 0.006 1 46 507 8 ASP HB2 H 2.671 0.005 2 47 507 8 ASP HB3 H 3.026 0.009 2 48 507 8 ASP C C 179.824 0.000 1 49 507 8 ASP CA C 58.147 0.061 1 50 507 8 ASP CB C 40.478 0.098 1 51 507 8 ASP N N 120.413 0.078 1 52 508 9 VAL H H 8.157 0.005 1 53 508 9 VAL HA H 3.565 0.008 1 54 508 9 VAL HB H 2.193 0.004 1 55 508 9 VAL HG1 H 0.766 0.005 2 56 508 9 VAL HG2 H 0.937 0.003 2 57 508 9 VAL C C 179.112 0.000 1 58 508 9 VAL CA C 66.149 0.084 1 59 508 9 VAL CB C 31.570 0.051 1 60 508 9 VAL CG1 C 21.091 0.148 2 61 508 9 VAL CG2 C 22.525 0.058 2 62 508 9 VAL N N 121.366 0.039 1 63 509 10 LEU H H 7.859 0.007 1 64 509 10 LEU HA H 4.022 0.008 1 65 509 10 LEU HB2 H 1.749 0.012 2 66 509 10 LEU HB3 H 1.060 0.005 2 67 509 10 LEU HG H 1.884 0.004 1 68 509 10 LEU HD1 H 0.516 0.010 2 69 509 10 LEU HD2 H -0.075 0.003 2 70 509 10 LEU C C 179.092 0.000 1 71 509 10 LEU CA C 57.344 0.037 1 72 509 10 LEU CB C 41.922 0.063 1 73 509 10 LEU CG C 25.657 0.102 1 74 509 10 LEU CD1 C 25.756 0.031 2 75 509 10 LEU CD2 C 21.694 0.039 2 76 509 10 LEU N N 117.252 0.076 1 77 510 11 LYS H H 8.376 0.007 1 78 510 11 LYS HA H 3.954 0.009 1 79 510 11 LYS HG2 H 1.673 0.000 2 80 510 11 LYS HG3 H 1.452 0.002 2 81 510 11 LYS HE2 H 2.827 0.001 2 82 510 11 LYS HE3 H 2.827 0.001 2 83 510 11 LYS C C 178.026 0.000 1 84 510 11 LYS CA C 59.144 0.036 1 85 510 11 LYS CB C 32.697 0.000 1 86 510 11 LYS CG C 26.794 0.018 1 87 510 11 LYS N N 114.815 0.039 1 88 511 12 GLY H H 7.593 0.004 1 89 511 12 GLY HA2 H 4.173 0.005 2 90 511 12 GLY HA3 H 3.720 0.003 2 91 511 12 GLY C C 172.558 0.000 1 92 511 12 GLY CA C 45.505 0.011 1 93 511 12 GLY N N 104.635 0.055 1 94 512 13 ASP H H 7.065 0.008 1 95 512 13 ASP HA H 4.995 0.005 1 96 512 13 ASP HB2 H 2.665 0.007 2 97 512 13 ASP HB3 H 3.283 0.008 2 98 512 13 ASP CA C 52.583 0.012 1 99 512 13 ASP CB C 43.957 0.060 1 100 512 13 ASP N N 120.111 0.027 1 101 513 14 ASN HA H 4.448 0.002 1 102 513 14 ASN HB2 H 2.951 0.000 2 103 513 14 ASN HB3 H 2.898 0.000 2 104 513 14 ASN C C 176.736 0.000 1 105 513 14 ASN CA C 55.892 0.077 1 106 513 14 ASN CB C 38.085 0.051 1 107 514 15 ARG H H 8.581 0.003 1 108 514 15 ARG HA H 4.169 0.000 1 109 514 15 ARG C C 176.145 0.000 1 110 514 15 ARG CA C 58.062 0.060 1 111 514 15 ARG CB C 30.666 0.000 1 112 514 15 ARG N N 118.917 0.036 1 113 515 16 PHE H H 7.600 0.003 1 114 515 16 PHE HA H 5.779 0.006 1 115 515 16 PHE HB2 H 3.550 0.005 2 116 515 16 PHE HB3 H 3.465 0.007 2 117 515 16 PHE HD1 H 7.441 0.005 3 118 515 16 PHE HD2 H 7.441 0.005 3 119 515 16 PHE HE1 H 7.147 0.007 3 120 515 16 PHE HE2 H 7.147 0.007 3 121 515 16 PHE C C 176.587 0.000 1 122 515 16 PHE CA C 56.064 0.057 1 123 515 16 PHE CB C 38.571 0.048 1 124 515 16 PHE N N 113.226 0.058 1 125 516 17 SER H H 7.532 0.006 1 126 516 17 SER HA H 4.049 0.000 1 127 516 17 SER C C 178.564 0.000 1 128 516 17 SER CA C 62.683 0.058 1 129 516 17 SER CB C 62.150 0.000 1 130 516 17 SER N N 116.620 0.050 1 131 517 18 MET H H 9.291 0.006 1 132 517 18 MET HA H 3.991 0.010 1 133 517 18 MET HB2 H 1.212 0.009 2 134 517 18 MET HB3 H 1.212 0.009 2 135 517 18 MET HE H 1.906 0.002 1 136 517 18 MET C C 178.066 0.000 1 137 517 18 MET CA C 59.462 0.046 1 138 517 18 MET CB C 31.596 0.033 1 139 517 18 MET CE C 17.540 0.013 1 140 517 18 MET N N 124.356 0.078 1 141 518 19 LEU H H 8.615 0.010 1 142 518 19 LEU HA H 3.921 0.006 1 143 518 19 LEU HB2 H 2.335 0.008 2 144 518 19 LEU HB3 H 2.051 0.007 2 145 518 19 LEU HG H 1.572 0.005 1 146 518 19 LEU HD1 H 0.996 0.005 2 147 518 19 LEU HD2 H 0.987 0.003 2 148 518 19 LEU C C 178.217 0.000 1 149 518 19 LEU CA C 58.140 0.048 1 150 518 19 LEU CB C 41.332 0.099 1 151 518 19 LEU CD1 C 23.128 0.053 2 152 518 19 LEU CD2 C 28.023 0.067 2 153 518 19 LEU N N 123.835 0.068 1 154 519 20 VAL H H 9.059 0.007 1 155 519 20 VAL HA H 3.305 0.005 1 156 519 20 VAL HB H 2.052 0.006 1 157 519 20 VAL HG1 H 0.881 0.007 2 158 519 20 VAL HG2 H 0.827 0.002 2 159 519 20 VAL C C 178.174 0.000 1 160 519 20 VAL CA C 67.850 0.056 1 161 519 20 VAL CB C 31.701 0.089 1 162 519 20 VAL CG1 C 24.868 0.047 2 163 519 20 VAL CG2 C 21.581 0.000 2 164 519 20 VAL N N 118.876 0.022 1 165 520 21 ALA H H 7.482 0.005 1 166 520 21 ALA HA H 4.156 0.010 1 167 520 21 ALA HB H 1.455 0.005 1 168 520 21 ALA C C 180.310 0.000 1 169 520 21 ALA CA C 55.066 0.019 1 170 520 21 ALA CB C 17.806 0.091 1 171 520 21 ALA N N 122.184 0.048 1 172 521 22 ALA H H 8.286 0.006 1 173 521 22 ALA HA H 4.102 0.012 1 174 521 22 ALA HB H 1.458 0.008 1 175 521 22 ALA C C 178.705 0.000 1 176 521 22 ALA CA C 54.908 0.054 1 177 521 22 ALA CB C 17.871 0.065 1 178 521 22 ALA N N 123.379 0.027 1 179 522 23 ILE H H 8.900 0.009 1 180 522 23 ILE HA H 3.304 0.008 1 181 522 23 ILE HB H 1.939 0.005 1 182 522 23 ILE HG12 H 1.846 0.001 2 183 522 23 ILE HG13 H 0.688 0.001 2 184 522 23 ILE HG2 H 0.780 0.003 1 185 522 23 ILE HD1 H 0.578 0.004 1 186 522 23 ILE C C 178.025 0.000 1 187 522 23 ILE CA C 65.979 0.051 1 188 522 23 ILE CB C 38.367 0.027 1 189 522 23 ILE CG1 C 31.516 0.040 1 190 522 23 ILE CG2 C 17.641 0.105 1 191 522 23 ILE CD1 C 14.362 0.042 1 192 522 23 ILE N N 120.263 0.060 1 193 523 24 GLN H H 7.898 0.005 1 194 523 24 GLN HA H 4.188 0.000 1 195 523 24 GLN HB2 H 2.254 0.004 2 196 523 24 GLN HB3 H 2.128 0.006 2 197 523 24 GLN HG2 H 2.401 0.008 2 198 523 24 GLN HG3 H 2.401 0.008 2 199 523 24 GLN C C 180.253 0.000 1 200 523 24 GLN CA C 58.593 0.055 1 201 523 24 GLN CB C 27.632 0.043 1 202 523 24 GLN CG C 33.222 0.023 1 203 523 24 GLN N N 118.959 0.044 1 204 524 25 SER H H 8.405 0.007 1 205 524 25 SER HA H 4.188 0.006 1 206 524 25 SER HB2 H 4.018 0.002 2 207 524 25 SER HB3 H 3.963 0.000 2 208 524 25 SER C C 175.635 0.000 1 209 524 25 SER CA C 61.732 0.025 1 210 524 25 SER CB C 63.140 0.134 1 211 524 25 SER N N 118.150 0.026 1 212 525 26 ALA H H 8.277 0.006 1 213 525 26 ALA HA H 4.368 0.004 1 214 525 26 ALA HB H 1.384 0.009 1 215 525 26 ALA C C 176.960 0.000 1 216 525 26 ALA CA C 52.156 0.041 1 217 525 26 ALA CB C 19.947 0.047 1 218 525 26 ALA N N 119.360 0.040 1 219 526 27 GLY H H 7.789 0.005 1 220 526 27 GLY HA2 H 4.130 0.000 2 221 526 27 GLY C C 176.602 0.000 1 222 526 27 GLY CA C 46.475 0.031 1 223 526 27 GLY N N 105.968 0.041 1 224 527 28 LEU H H 8.088 0.005 1 225 527 28 LEU HA H 4.453 0.004 1 226 527 28 LEU HB2 H 1.537 0.011 2 227 527 28 LEU HB3 H 1.537 0.011 2 228 527 28 LEU HG H 1.543 0.001 1 229 527 28 LEU HD1 H 0.819 0.004 2 230 527 28 LEU HD2 H 0.794 0.004 2 231 527 28 LEU C C 175.805 0.000 1 232 527 28 LEU CA C 54.816 0.067 1 233 527 28 LEU CB C 45.181 0.035 1 234 527 28 LEU CD1 C 26.471 0.104 2 235 527 28 LEU CD2 C 23.217 0.112 2 236 527 28 LEU N N 118.466 0.027 1 237 528 29 THR H H 7.593 0.003 1 238 528 29 THR HA H 3.539 0.005 1 239 528 29 THR HB H 3.998 0.003 1 240 528 29 THR HG1 H 4.760 0.002 1 241 528 29 THR HG2 H 1.130 0.002 1 242 528 29 THR C C 175.526 0.000 1 243 528 29 THR CA C 66.828 0.055 1 244 528 29 THR CB C 68.754 0.090 1 245 528 29 THR CG2 C 22.474 0.015 1 246 528 29 THR N N 118.037 0.026 1 247 529 30 GLU H H 8.304 0.003 1 248 529 30 GLU HA H 3.972 0.005 1 249 529 30 GLU C C 179.395 0.000 1 250 529 30 GLU CA C 59.788 0.074 1 251 529 30 GLU CB C 28.458 0.000 1 252 529 30 GLU N N 117.711 0.055 1 253 530 31 THR H H 7.692 0.002 1 254 530 31 THR HA H 3.756 0.006 1 255 530 31 THR HB H 4.074 0.002 1 256 530 31 THR HG1 H 4.769 0.000 1 257 530 31 THR HG2 H 0.987 0.001 1 258 530 31 THR C C 175.838 0.000 1 259 530 31 THR CA C 67.156 0.034 1 260 530 31 THR CB C 69.159 0.059 1 261 530 31 THR CG2 C 20.367 0.059 1 262 530 31 THR N N 116.155 0.042 1 263 531 32 LEU H H 7.103 0.005 1 264 531 32 LEU HA H 3.921 0.006 1 265 531 32 LEU HB2 H 1.591 0.006 2 266 531 32 LEU HB3 H 1.183 0.011 2 267 531 32 LEU HG H 1.361 0.002 1 268 531 32 LEU HD1 H 0.624 0.002 2 269 531 32 LEU HD2 H 0.152 0.005 2 270 531 32 LEU C C 176.177 0.000 1 271 531 32 LEU CA C 55.553 0.078 1 272 531 32 LEU CB C 41.533 0.009 1 273 531 32 LEU CG C 27.026 0.026 1 274 531 32 LEU CD1 C 25.155 0.050 2 275 531 32 LEU CD2 C 21.167 0.081 2 276 531 32 LEU N N 116.655 0.045 1 277 532 33 ASN H H 7.735 0.005 1 278 532 33 ASN HA H 4.976 0.003 1 279 532 33 ASN HB2 H 2.543 0.005 2 280 532 33 ASN HB3 H 2.821 0.002 2 281 532 33 ASN HD21 H 7.570 0.000 2 282 532 33 ASN HD22 H 6.849 0.000 2 283 532 33 ASN C C 174.819 0.000 1 284 532 33 ASN CA C 52.121 0.005 1 285 532 33 ASN CB C 40.989 0.047 1 286 532 33 ASN N N 118.711 0.030 1 287 533 34 ARG H H 7.287 0.010 1 288 533 34 ARG HA H 4.529 0.000 1 289 533 34 ARG C C 175.340 0.000 1 290 533 34 ARG CA C 55.624 0.005 1 291 533 34 ARG CB C 32.805 0.000 1 292 533 34 ARG N N 119.777 0.064 1 293 534 35 GLU H H 8.517 0.003 1 294 534 35 GLU HA H 4.235 0.004 1 295 534 35 GLU HB2 H 2.030 0.012 2 296 534 35 GLU HB3 H 2.030 0.012 2 297 534 35 GLU HG2 H 2.338 0.004 2 298 534 35 GLU HG3 H 2.338 0.004 2 299 534 35 GLU C C 176.305 0.000 1 300 534 35 GLU CA C 57.738 0.026 1 301 534 35 GLU CB C 29.694 0.038 1 302 534 35 GLU CG C 36.075 0.021 1 303 534 35 GLU N N 120.198 0.092 1 304 535 36 GLY H H 7.955 0.004 1 305 535 36 GLY HA2 H 3.848 0.003 2 306 535 36 GLY HA3 H 3.903 0.000 2 307 535 36 GLY C C 170.570 0.000 1 308 535 36 GLY CA C 44.825 0.045 1 309 535 36 GLY N N 111.018 0.050 1 310 536 37 VAL H H 7.198 0.001 1 311 536 37 VAL HA H 4.128 0.005 1 312 536 37 VAL HB H 1.844 0.002 1 313 536 37 VAL HG1 H 0.727 0.004 2 314 536 37 VAL HG2 H 0.762 0.010 2 315 536 37 VAL C C 173.020 0.000 1 316 536 37 VAL CA C 59.407 0.031 1 317 536 37 VAL CB C 33.682 0.034 1 318 536 37 VAL CG1 C 23.106 0.032 2 319 536 37 VAL CG2 C 18.993 0.038 2 320 536 37 VAL N N 114.867 0.048 1 321 537 38 TYR H H 7.507 0.005 1 322 537 38 TYR HA H 5.199 0.006 1 323 537 38 TYR HB2 H 2.902 0.006 2 324 537 38 TYR HB3 H 2.411 0.004 2 325 537 38 TYR HD1 H 7.111 0.003 3 326 537 38 TYR HD2 H 7.111 0.003 3 327 537 38 TYR HE1 H 6.731 0.002 3 328 537 38 TYR HE2 H 6.731 0.002 3 329 537 38 TYR C C 176.278 0.000 1 330 537 38 TYR CA C 56.770 0.040 1 331 537 38 TYR CB C 42.544 0.017 1 332 537 38 TYR N N 117.363 0.082 1 333 538 39 THR H H 7.906 0.005 1 334 538 39 THR HA H 4.781 0.005 1 335 538 39 THR HB H 3.767 0.005 1 336 538 39 THR HG1 H 7.158 0.005 1 337 538 39 THR HG2 H 0.816 0.001 1 338 538 39 THR C C 173.406 0.000 1 339 538 39 THR CA C 62.197 0.018 1 340 538 39 THR CB C 70.922 0.151 1 341 538 39 THR N N 117.120 0.062 1 342 539 40 VAL H H 9.154 0.007 1 343 539 40 VAL HA H 4.603 0.008 1 344 539 40 VAL HB H 2.000 0.005 1 345 539 40 VAL HG1 H 0.825 0.000 2 346 539 40 VAL HG2 H 0.695 0.002 2 347 539 40 VAL C C 174.038 0.000 1 348 539 40 VAL CA C 61.168 0.057 1 349 539 40 VAL CB C 33.995 0.078 1 350 539 40 VAL CG2 C 19.530 0.077 2 351 539 40 VAL N N 126.768 0.033 1 352 540 41 PHE H H 9.087 0.011 1 353 540 41 PHE HA H 5.331 0.005 1 354 540 41 PHE HB2 H 3.282 0.006 2 355 540 41 PHE HB3 H 2.929 0.004 2 356 540 41 PHE HD1 H 7.137 0.009 3 357 540 41 PHE HD2 H 7.137 0.009 3 358 540 41 PHE HE1 H 6.765 0.005 3 359 540 41 PHE HE2 H 6.765 0.005 3 360 540 41 PHE C C 173.429 0.000 1 361 540 41 PHE CA C 57.682 0.065 1 362 540 41 PHE CB C 38.449 0.096 1 363 540 41 PHE N N 128.517 0.057 1 364 541 42 ALA H H 8.666 0.005 1 365 541 42 ALA HA H 4.583 0.005 1 366 541 42 ALA HB H 0.812 0.005 1 367 541 42 ALA CA C 48.996 0.014 1 368 541 42 ALA CB C 23.007 0.117 1 369 541 42 ALA N N 125.981 0.039 1 370 542 43 PRO HA H 5.017 0.008 1 371 542 43 PRO HB2 H 1.740 0.004 2 372 542 43 PRO HB3 H 1.587 0.006 2 373 542 43 PRO HG2 H 1.679 0.000 2 374 542 43 PRO HG3 H 1.878 0.000 2 375 542 43 PRO HD2 H 3.605 0.004 2 376 542 43 PRO HD3 H 3.605 0.004 2 377 542 43 PRO C C 177.809 0.000 1 378 542 43 PRO CA C 61.079 0.134 1 379 542 43 PRO CB C 31.835 0.016 1 380 542 43 PRO CD C 51.574 0.059 1 381 543 44 THR H H 7.731 0.008 1 382 543 44 THR HA H 4.464 0.004 1 383 543 44 THR HB H 4.742 0.009 1 384 543 44 THR HG1 H 5.329 0.002 1 385 543 44 THR HG2 H 1.248 0.001 1 386 543 44 THR C C 176.413 0.000 1 387 543 44 THR CA C 60.762 0.047 1 388 543 44 THR CB C 71.542 0.050 1 389 543 44 THR CG2 C 22.859 0.015 1 390 543 44 THR N N 112.053 0.071 1 391 544 45 ASN H H 8.883 0.004 1 392 544 45 ASN HA H 4.700 0.003 1 393 544 45 ASN HB3 H 2.792 0.012 2 394 544 45 ASN C C 178.324 0.000 1 395 544 45 ASN CA C 56.306 0.058 1 396 544 45 ASN CB C 37.206 0.007 1 397 544 45 ASN N N 119.183 0.049 1 398 545 46 GLU H H 8.283 0.003 1 399 545 46 GLU C C 178.200 0.000 1 400 545 46 GLU CA C 59.936 0.059 1 401 545 46 GLU CB C 29.347 0.000 1 402 545 46 GLU N N 118.549 0.049 1 403 546 47 ALA H H 7.485 0.004 1 404 546 47 ALA HA H 4.044 0.007 1 405 546 47 ALA HB H 1.203 0.004 1 406 546 47 ALA C C 180.432 0.000 1 407 546 47 ALA CA C 55.069 0.087 1 408 546 47 ALA CB C 19.593 0.066 1 409 546 47 ALA N N 122.120 0.049 1 410 547 48 PHE H H 7.363 0.005 1 411 547 48 PHE HA H 4.046 0.007 1 412 547 48 PHE HB2 H 3.369 0.006 2 413 547 48 PHE HB3 H 2.909 0.002 2 414 547 48 PHE HD1 H 7.252 0.008 3 415 547 48 PHE HD2 H 7.252 0.008 3 416 547 48 PHE HE1 H 7.107 0.006 3 417 547 48 PHE HE2 H 7.107 0.006 3 418 547 48 PHE HZ H 6.730 0.001 1 419 547 48 PHE C C 179.098 0.000 1 420 547 48 PHE CA C 62.105 0.035 1 421 547 48 PHE CB C 39.759 0.049 1 422 547 48 PHE N N 115.213 0.016 1 423 548 49 ARG H H 8.266 0.007 1 424 548 49 ARG HA H 3.989 0.000 1 425 548 49 ARG HB2 H 1.972 0.000 2 426 548 49 ARG HB3 H 1.825 0.000 2 427 548 49 ARG C C 176.382 0.000 1 428 548 49 ARG CA C 58.915 0.078 1 429 548 49 ARG CB C 30.150 0.000 1 430 548 49 ARG N N 118.451 0.033 1 431 549 50 ALA H H 7.416 0.004 1 432 549 50 ALA HA H 4.279 0.002 1 433 549 50 ALA HB H 1.558 0.003 1 434 549 50 ALA C C 178.745 0.000 1 435 549 50 ALA CA C 52.652 0.020 1 436 549 50 ALA CB C 18.947 0.028 1 437 549 50 ALA N N 118.978 0.076 1 438 550 51 LEU H H 7.138 0.005 1 439 550 51 LEU HA H 4.531 0.003 1 440 550 51 LEU HB2 H 1.918 0.005 2 441 550 51 LEU HB3 H 1.268 0.005 2 442 550 51 LEU HG H 1.988 0.003 1 443 550 51 LEU HD1 H 0.952 0.008 2 444 550 51 LEU HD2 H 0.913 0.004 2 445 550 51 LEU CA C 53.313 0.023 1 446 550 51 LEU CB C 42.418 0.092 1 447 550 51 LEU CD1 C 26.111 0.056 2 448 550 51 LEU CD2 C 23.445 0.101 2 449 550 51 LEU N N 119.842 0.026 1 450 551 52 PRO HA H 4.789 0.001 1 451 551 52 PRO HB2 H 2.576 0.003 2 452 551 52 PRO HB3 H 1.982 0.008 2 453 551 52 PRO HG2 H 2.182 0.006 2 454 551 52 PRO HD2 H 4.106 0.004 2 455 551 52 PRO HD3 H 3.547 0.003 2 456 551 52 PRO CA C 61.784 0.080 1 457 551 52 PRO CB C 31.342 0.038 1 458 551 52 PRO CG C 28.055 0.095 1 459 551 52 PRO CD C 50.580 0.055 1 460 552 53 PRO HA H 4.115 0.001 1 461 552 53 PRO HB2 H 2.405 0.007 2 462 552 53 PRO HB3 H 2.050 0.000 2 463 552 53 PRO HG2 H 2.254 0.006 2 464 552 53 PRO HG3 H 2.127 0.002 2 465 552 53 PRO HD2 H 3.935 0.007 2 466 552 53 PRO HD3 H 3.935 0.007 2 467 552 53 PRO CA C 66.346 0.001 1 468 552 53 PRO CB C 33.383 0.047 1 469 552 53 PRO CG C 27.570 0.005 1 470 552 53 PRO CD C 50.579 0.000 1 471 553 54 ARG C C 179.024 0.000 1 472 553 54 ARG CA C 59.454 0.034 1 473 553 54 ARG CB C 29.694 0.000 1 474 554 55 GLU H H 7.526 0.005 1 475 554 55 GLU HA H 4.366 0.003 1 476 554 55 GLU HB2 H 2.086 0.010 2 477 554 55 GLU HB3 H 2.086 0.010 2 478 554 55 GLU HG2 H 2.356 0.000 2 479 554 55 GLU HG3 H 2.356 0.000 2 480 554 55 GLU C C 178.437 0.000 1 481 554 55 GLU CA C 58.362 0.047 1 482 554 55 GLU CB C 29.727 0.122 1 483 554 55 GLU N N 119.712 0.071 1 484 555 56 ARG H H 8.452 0.008 1 485 555 56 ARG HA H 3.845 0.007 1 486 555 56 ARG HB2 H 1.909 0.012 2 487 555 56 ARG HB3 H 1.909 0.012 2 488 555 56 ARG HG2 H 1.683 0.009 2 489 555 56 ARG HG3 H 1.683 0.009 2 490 555 56 ARG HD2 H 3.324 0.012 2 491 555 56 ARG HD3 H 3.324 0.012 2 492 555 56 ARG C C 177.902 0.000 1 493 555 56 ARG CA C 60.362 0.033 1 494 555 56 ARG CB C 30.295 0.015 1 495 555 56 ARG CD C 43.489 0.039 1 496 555 56 ARG N N 120.112 0.049 1 497 556 57 SER H H 8.200 0.001 1 498 556 57 SER HA H 4.138 0.001 1 499 556 57 SER HB2 H 3.928 0.002 2 500 556 57 SER HB3 H 3.928 0.002 2 501 556 57 SER C C 177.151 0.000 1 502 556 57 SER CA C 61.661 0.141 1 503 556 57 SER CB C 62.874 0.064 1 504 556 57 SER N N 111.829 0.057 1 505 557 58 ARG H H 7.589 0.002 1 506 557 58 ARG HA H 4.068 0.000 1 507 557 58 ARG HB2 H 1.976 0.006 2 508 557 58 ARG HB3 H 1.976 0.006 2 509 557 58 ARG C C 178.190 0.000 1 510 557 58 ARG CA C 59.121 0.018 1 511 557 58 ARG CB C 30.508 0.000 1 512 557 58 ARG N N 122.459 0.064 1 513 558 59 LEU H H 8.034 0.006 1 514 558 59 LEU HA H 4.109 0.003 1 515 558 59 LEU HB2 H 1.839 0.000 2 516 558 59 LEU HB3 H 1.603 0.002 2 517 558 59 LEU HG H 1.782 0.002 1 518 558 59 LEU HD1 H 0.887 0.003 2 519 558 59 LEU HD2 H 0.932 0.001 2 520 558 59 LEU C C 177.217 0.000 1 521 558 59 LEU CA C 57.778 0.050 1 522 558 59 LEU CB C 42.428 0.173 1 523 558 59 LEU CG C 27.209 0.014 1 524 558 59 LEU CD1 C 24.051 0.000 2 525 558 59 LEU CD2 C 24.494 0.000 2 526 558 59 LEU N N 117.826 0.017 1 527 559 60 LEU H H 7.844 0.006 1 528 559 60 LEU HA H 4.211 0.009 1 529 559 60 LEU HB2 H 1.498 0.002 2 530 559 60 LEU HB3 H 1.787 0.000 2 531 559 60 LEU HG H 1.815 0.008 1 532 559 60 LEU HD1 H 0.830 0.002 2 533 559 60 LEU HD2 H 0.785 0.007 2 534 559 60 LEU C C 179.037 0.000 1 535 559 60 LEU CA C 56.250 0.053 1 536 559 60 LEU CB C 41.186 0.042 1 537 559 60 LEU CG C 27.436 0.036 1 538 559 60 LEU CD1 C 25.289 0.087 2 539 559 60 LEU CD2 C 22.431 0.048 2 540 559 60 LEU N N 112.187 0.038 1 541 560 61 GLY H H 7.565 0.006 1 542 560 61 GLY HA2 H 4.202 0.002 2 543 560 61 GLY HA3 H 3.771 0.003 2 544 560 61 GLY C C 173.292 0.000 1 545 560 61 GLY CA C 45.525 0.019 1 546 560 61 GLY N N 104.550 0.053 1 547 561 62 ASP H H 7.255 0.002 1 548 561 62 ASP HA H 4.896 0.004 1 549 561 62 ASP HB2 H 3.065 0.003 2 550 561 62 ASP HB3 H 2.572 0.002 2 551 561 62 ASP C C 174.791 0.000 1 552 561 62 ASP CA C 52.557 0.033 1 553 561 62 ASP CB C 42.146 0.043 1 554 561 62 ASP N N 120.720 0.025 1 555 562 63 ALA H H 8.674 0.003 1 556 562 63 ALA HA H 4.041 0.001 1 557 562 63 ALA HB H 1.484 0.002 1 558 562 63 ALA C C 180.100 0.000 1 559 562 63 ALA CA C 55.682 0.028 1 560 562 63 ALA CB C 18.903 0.141 1 561 562 63 ALA N N 126.814 0.103 1 562 563 64 LYS H H 8.143 0.003 1 563 563 64 LYS HA H 4.157 0.003 1 564 563 64 LYS HG2 H 1.594 0.000 2 565 563 64 LYS HG3 H 1.435 0.005 2 566 563 64 LYS HE2 H 3.056 0.000 2 567 563 64 LYS HE3 H 3.056 0.000 2 568 563 64 LYS C C 179.513 0.000 1 569 563 64 LYS CA C 59.404 0.059 1 570 563 64 LYS CB C 31.966 0.000 1 571 563 64 LYS CG C 25.139 0.047 1 572 563 64 LYS N N 118.169 0.040 1 573 564 65 GLU H H 7.812 0.007 1 574 564 65 GLU HA H 4.265 0.006 1 575 564 65 GLU HB2 H 2.087 0.000 2 576 564 65 GLU HB3 H 2.087 0.000 2 577 564 65 GLU HG2 H 2.317 0.000 2 578 564 65 GLU HG3 H 2.317 0.000 2 579 564 65 GLU C C 179.400 0.000 1 580 564 65 GLU CA C 58.381 0.087 1 581 564 65 GLU CB C 29.262 0.066 1 582 564 65 GLU N N 121.540 0.012 1 583 565 66 LEU H H 8.757 0.007 1 584 565 66 LEU HA H 4.114 0.003 1 585 565 66 LEU HB2 H 2.142 0.004 2 586 565 66 LEU HB3 H 1.806 0.001 2 587 565 66 LEU HG H 1.545 0.000 1 588 565 66 LEU HD1 H 1.002 0.010 2 589 565 66 LEU HD2 H 0.940 0.002 2 590 565 66 LEU C C 178.632 0.000 1 591 565 66 LEU CA C 58.006 0.057 1 592 565 66 LEU CB C 41.401 0.047 1 593 565 66 LEU CD1 C 26.079 0.045 2 594 565 66 LEU CD2 C 22.418 0.000 2 595 565 66 LEU N N 120.816 0.074 1 596 566 67 ALA H H 8.058 0.002 1 597 566 67 ALA HA H 3.916 0.004 1 598 566 67 ALA HB H 1.645 0.002 1 599 566 67 ALA C C 178.874 0.000 1 600 566 67 ALA CA C 55.967 0.082 1 601 566 67 ALA CB C 18.119 0.077 1 602 566 67 ALA N N 118.909 0.055 1 603 567 68 ASN H H 7.478 0.010 1 604 567 68 ASN HA H 4.442 0.003 1 605 567 68 ASN HB2 H 2.952 0.001 2 606 567 68 ASN HB3 H 2.994 0.006 2 607 567 68 ASN HD21 H 7.780 0.004 2 608 567 68 ASN HD22 H 7.023 0.002 2 609 567 68 ASN C C 176.598 0.000 1 610 567 68 ASN CA C 57.146 0.050 1 611 567 68 ASN CB C 39.032 0.034 1 612 567 68 ASN N N 115.314 0.029 1 613 567 68 ASN ND2 N 114.047 0.003 1 614 568 69 ILE H H 8.027 0.006 1 615 568 69 ILE HA H 3.996 0.005 1 616 568 69 ILE HB H 2.164 0.003 1 617 568 69 ILE HG12 H 1.575 0.003 2 618 568 69 ILE HG13 H 1.739 0.002 2 619 568 69 ILE HG2 H 1.156 0.004 1 620 568 69 ILE HD1 H 0.967 0.003 1 621 568 69 ILE C C 179.707 0.000 1 622 568 69 ILE CA C 63.604 0.051 1 623 568 69 ILE CB C 37.428 0.040 1 624 568 69 ILE CG1 C 29.426 0.035 1 625 568 69 ILE CG2 C 17.733 0.020 1 626 568 69 ILE CD1 C 12.577 0.024 1 627 568 69 ILE N N 117.111 0.019 1 628 569 70 LEU H H 8.985 0.009 1 629 569 70 LEU HA H 4.100 0.005 1 630 569 70 LEU HB2 H 1.865 0.006 2 631 569 70 LEU HB3 H 1.125 0.011 2 632 569 70 LEU HG H 1.903 0.001 1 633 569 70 LEU HD1 H 0.681 0.003 2 634 569 70 LEU HD2 H 0.628 0.006 2 635 569 70 LEU C C 179.729 0.000 1 636 569 70 LEU CA C 58.592 0.053 1 637 569 70 LEU CB C 41.914 0.038 1 638 569 70 LEU CG C 26.409 0.011 1 639 569 70 LEU CD1 C 26.946 0.032 2 640 569 70 LEU CD2 C 21.379 0.104 2 641 569 70 LEU N N 121.388 0.040 1 642 570 71 LYS H H 8.525 0.003 1 643 570 71 LYS HA H 3.938 0.006 1 644 570 71 LYS HD2 H 2.023 0.000 2 645 570 71 LYS HD3 H 1.192 0.000 2 646 570 71 LYS HE2 H 2.850 0.003 2 647 570 71 LYS HE3 H 2.850 0.003 2 648 570 71 LYS C C 177.620 0.000 1 649 570 71 LYS CA C 60.800 0.040 1 650 570 71 LYS CB C 32.441 0.000 1 651 570 71 LYS CD C 28.397 0.020 1 652 570 71 LYS CE C 42.042 0.025 1 653 570 71 LYS N N 116.226 0.050 1 654 571 72 TYR H H 7.624 0.002 1 655 571 72 TYR HA H 4.624 0.004 1 656 571 72 TYR HB2 H 2.944 0.004 2 657 571 72 TYR HB3 H 3.263 0.002 2 658 571 72 TYR HD1 H 6.743 0.005 3 659 571 72 TYR HD2 H 6.743 0.005 3 660 571 72 TYR HE1 H 6.210 0.003 3 661 571 72 TYR HE2 H 6.210 0.003 3 662 571 72 TYR C C 171.915 0.000 1 663 571 72 TYR CA C 58.886 0.056 1 664 571 72 TYR CB C 38.763 0.120 1 665 571 72 TYR N N 120.076 0.044 1 666 572 73 HIS H H 7.532 0.004 1 667 572 73 HIS HA H 4.191 0.007 1 668 572 73 HIS HB2 H 3.245 0.005 2 669 572 73 HIS HB3 H 4.645 0.002 2 670 572 73 HIS HD1 H 11.691 0.010 1 671 572 73 HIS HD2 H 7.196 0.001 1 672 572 73 HIS HE1 H 7.916 0.005 1 673 572 73 HIS C C 173.852 0.000 1 674 572 73 HIS CA C 58.870 0.044 1 675 572 73 HIS CB C 28.158 0.031 1 676 572 73 HIS N N 108.895 0.035 1 677 573 74 ILE H H 7.310 0.004 1 678 573 74 ILE HA H 5.209 0.006 1 679 573 74 ILE HB H 1.808 0.002 1 680 573 74 ILE HG12 H 2.068 0.008 2 681 573 74 ILE HG13 H 2.068 0.008 2 682 573 74 ILE HG2 H 0.899 0.009 1 683 573 74 ILE HD1 H 0.703 0.003 1 684 573 74 ILE C C 175.691 0.000 1 685 573 74 ILE CA C 59.627 0.045 1 686 573 74 ILE CB C 40.690 0.044 1 687 573 74 ILE CG1 C 26.609 0.000 1 688 573 74 ILE CG2 C 18.816 0.054 1 689 573 74 ILE CD1 C 14.672 0.043 1 690 573 74 ILE N N 117.580 0.068 1 691 574 75 GLY H H 10.187 0.003 1 692 574 75 GLY HA2 H 5.074 0.010 2 693 574 75 GLY HA3 H 3.410 0.010 2 694 574 75 GLY C C 173.963 0.000 1 695 574 75 GLY CA C 43.935 0.020 1 696 574 75 GLY N N 111.704 0.095 1 697 575 76 ASP H H 8.356 0.007 1 698 575 76 ASP HA H 4.768 0.002 1 699 575 76 ASP HB2 H 2.373 0.002 2 700 575 76 ASP HB3 H 3.019 0.001 2 701 575 76 ASP C C 174.774 0.000 1 702 575 76 ASP CA C 53.727 0.011 1 703 575 76 ASP CB C 40.836 0.151 1 704 575 76 ASP N N 120.565 0.091 1 705 576 77 GLU H H 7.271 0.004 1 706 576 77 GLU HA H 4.471 0.004 1 707 576 77 GLU HB2 H 1.973 0.002 2 708 576 77 GLU HB3 H 1.815 0.002 2 709 576 77 GLU HG2 H 2.187 0.008 2 710 576 77 GLU HG3 H 2.187 0.008 2 711 576 77 GLU C C 175.374 0.000 1 712 576 77 GLU CA C 54.487 0.049 1 713 576 77 GLU CB C 33.319 0.031 1 714 576 77 GLU CG C 35.990 0.000 1 715 576 77 GLU N N 114.303 0.039 1 716 577 78 ILE H H 8.498 0.006 1 717 577 78 ILE HA H 3.577 0.004 1 718 577 78 ILE HB H 1.630 0.003 1 719 577 78 ILE HG12 H 1.406 0.004 2 720 577 78 ILE HG13 H 0.871 0.005 2 721 577 78 ILE HG2 H 0.718 0.003 1 722 577 78 ILE HD1 H 0.768 0.001 1 723 577 78 ILE C C 174.824 0.000 1 724 577 78 ILE CA C 62.328 0.037 1 725 577 78 ILE CB C 38.410 0.043 1 726 577 78 ILE CG1 C 28.822 0.074 1 727 577 78 ILE CG2 C 16.956 0.033 1 728 577 78 ILE CD1 C 13.520 0.024 1 729 577 78 ILE N N 120.967 0.063 1 730 578 79 LEU H H 7.992 0.005 1 731 578 79 LEU HA H 4.772 0.002 1 732 578 79 LEU HB2 H 1.815 0.000 2 733 578 79 LEU HB3 H 1.265 0.005 2 734 578 79 LEU HG H 1.367 0.000 1 735 578 79 LEU HD1 H 0.902 0.000 2 736 578 79 LEU HD2 H 0.855 0.000 2 737 578 79 LEU C C 174.159 0.000 1 738 578 79 LEU CA C 53.897 0.019 1 739 578 79 LEU CB C 44.049 0.036 1 740 578 79 LEU N N 132.772 0.066 1 741 579 80 VAL H H 7.954 0.002 1 742 579 80 VAL HA H 4.771 0.003 1 743 579 80 VAL HB H 2.357 0.002 1 744 579 80 VAL HG1 H 0.808 0.002 2 745 579 80 VAL HG2 H 0.865 0.001 2 746 579 80 VAL C C 178.418 0.000 1 747 579 80 VAL CA C 59.503 0.037 1 748 579 80 VAL CB C 33.434 0.030 1 749 579 80 VAL CG1 C 18.448 0.022 2 750 579 80 VAL CG2 C 22.362 0.021 2 751 579 80 VAL N N 118.382 0.041 1 752 580 81 SER H H 11.083 0.004 1 753 580 81 SER HA H 3.838 0.007 1 754 580 81 SER HB2 H 3.671 0.013 2 755 580 81 SER HB3 H 3.671 0.013 2 756 580 81 SER C C 177.145 0.000 1 757 580 81 SER CA C 62.909 0.081 1 758 580 81 SER CB C 62.215 0.097 1 759 580 81 SER N N 121.875 0.099 1 760 581 82 GLY H H 8.277 0.005 1 761 581 82 GLY HA2 H 4.009 0.004 2 762 581 82 GLY HA3 H 3.782 0.003 2 763 581 82 GLY C C 174.750 0.000 1 764 581 82 GLY CA C 45.939 0.105 1 765 581 82 GLY N N 107.458 0.033 1 766 582 83 GLY H H 8.246 0.005 1 767 582 83 GLY HA2 H 4.421 0.000 2 768 582 83 GLY HA3 H 3.689 0.010 2 769 582 83 GLY C C 174.378 0.000 1 770 582 83 GLY CA C 44.526 0.032 1 771 582 83 GLY N N 107.852 0.051 1 772 583 84 ILE H H 7.306 0.004 1 773 583 84 ILE HA H 3.817 0.004 1 774 583 84 ILE HB H 1.731 0.004 1 775 583 84 ILE HG12 H 1.853 0.001 2 776 583 84 ILE HG13 H 0.662 0.004 2 777 583 84 ILE HG2 H 0.782 0.004 1 778 583 84 ILE HD1 H 0.667 0.003 1 779 583 84 ILE C C 175.640 0.000 1 780 583 84 ILE CA C 62.947 0.052 1 781 583 84 ILE CB C 39.088 0.002 1 782 583 84 ILE CG1 C 28.079 0.009 1 783 583 84 ILE CG2 C 17.952 0.171 1 784 583 84 ILE CD1 C 15.739 0.046 1 785 583 84 ILE N N 120.968 0.058 1 786 584 85 GLY H H 7.947 0.003 1 787 584 85 GLY C C 173.086 0.000 1 788 584 85 GLY CA C 45.544 0.041 1 789 584 85 GLY N N 112.093 0.021 1 790 585 86 ALA H H 8.295 0.005 1 791 585 86 ALA HA H 4.314 0.005 1 792 585 86 ALA HB H 1.442 0.001 1 793 585 86 ALA C C 177.355 0.000 1 794 585 86 ALA CA C 54.149 0.043 1 795 585 86 ALA CB C 19.671 0.004 1 796 585 86 ALA N N 125.044 0.026 1 797 586 87 LEU H H 7.804 0.001 1 798 586 87 LEU HA H 4.713 0.006 1 799 586 87 LEU HB2 H 1.578 0.006 2 800 586 87 LEU HG H 1.345 0.001 1 801 586 87 LEU HD1 H 0.782 0.005 2 802 586 87 LEU HD2 H 0.782 0.005 2 803 586 87 LEU C C 175.568 0.000 1 804 586 87 LEU CA C 56.164 0.031 1 805 586 87 LEU CB C 43.695 0.061 1 806 586 87 LEU CD1 C 25.040 0.128 2 807 586 87 LEU CD2 C 25.040 0.128 2 808 586 87 LEU N N 118.525 0.036 1 809 587 88 VAL H H 9.514 0.005 1 810 587 88 VAL HA H 4.303 0.003 1 811 587 88 VAL HB H 1.950 0.003 1 812 587 88 VAL HG1 H 0.931 0.002 2 813 587 88 VAL HG2 H 1.067 0.006 2 814 587 88 VAL C C 174.137 0.000 1 815 587 88 VAL CA C 61.394 0.080 1 816 587 88 VAL CB C 35.715 0.069 1 817 587 88 VAL CG1 C 21.563 0.018 2 818 587 88 VAL CG2 C 22.192 0.081 2 819 587 88 VAL N N 128.017 0.034 1 820 588 89 ARG H H 8.616 0.004 1 821 588 89 ARG HA H 5.264 0.007 1 822 588 89 ARG HB2 H 1.816 0.005 2 823 588 89 ARG HB3 H 1.441 0.001 2 824 588 89 ARG HG2 H 1.659 0.003 2 825 588 89 ARG HG3 H 1.459 0.000 2 826 588 89 ARG HD2 H 3.213 0.000 2 827 588 89 ARG HD3 H 3.154 0.000 2 828 588 89 ARG C C 174.993 0.000 1 829 588 89 ARG CA C 54.767 0.054 1 830 588 89 ARG CB C 30.134 0.019 1 831 588 89 ARG CG C 28.482 0.094 1 832 588 89 ARG N N 125.361 0.041 1 833 589 90 LEU H H 8.814 0.005 1 834 589 90 LEU HA H 4.568 0.007 1 835 589 90 LEU HB2 H 1.297 0.006 2 836 589 90 LEU HB3 H 1.777 0.002 2 837 589 90 LEU HG H 1.579 0.001 1 838 589 90 LEU HD1 H 1.026 0.002 2 839 589 90 LEU HD2 H 1.071 0.007 2 840 589 90 LEU C C 174.937 0.000 1 841 589 90 LEU CA C 53.169 0.044 1 842 589 90 LEU CB C 46.013 0.034 1 843 589 90 LEU CG C 26.737 0.000 1 844 589 90 LEU CD1 C 26.434 0.061 2 845 589 90 LEU CD2 C 24.513 0.098 2 846 589 90 LEU N N 128.011 0.038 1 847 590 91 LYS H H 9.414 0.003 1 848 590 91 LYS HA H 4.028 0.006 1 849 590 91 LYS HB2 H 2.112 0.001 2 850 590 91 LYS HB3 H 2.112 0.001 2 851 590 91 LYS HG2 H 1.401 0.005 2 852 590 91 LYS HG3 H 1.691 0.004 2 853 590 91 LYS HE2 H 3.145 0.000 2 854 590 91 LYS HE3 H 3.145 0.000 2 855 590 91 LYS C C 174.523 0.000 1 856 590 91 LYS CA C 58.450 0.105 1 857 590 91 LYS CB C 32.398 0.196 1 858 590 91 LYS CG C 25.208 0.063 1 859 590 91 LYS N N 129.467 0.096 1 860 591 92 SER H H 7.965 0.004 1 861 591 92 SER HA H 5.622 0.006 1 862 591 92 SER HB2 H 4.791 0.011 2 863 591 92 SER HB3 H 3.818 0.006 2 864 591 92 SER HG H 5.453 0.004 1 865 591 92 SER C C 178.072 0.000 1 866 591 92 SER CA C 58.281 0.075 1 867 591 92 SER CB C 67.446 0.056 1 868 591 92 SER N N 121.877 0.065 1 869 592 93 LEU H H 9.327 0.004 1 870 592 93 LEU HA H 4.303 0.006 1 871 592 93 LEU HB2 H 2.064 0.008 2 872 592 93 LEU HB3 H 1.649 0.001 2 873 592 93 LEU HG H 1.953 0.005 1 874 592 93 LEU HD1 H 1.011 0.003 2 875 592 93 LEU HD2 H 0.946 0.003 2 876 592 93 LEU C C 178.509 0.000 1 877 592 93 LEU CA C 57.264 0.108 1 878 592 93 LEU CB C 41.391 0.066 1 879 592 93 LEU CG C 27.672 0.042 1 880 592 93 LEU CD1 C 22.171 0.004 2 881 592 93 LEU CD2 C 24.627 0.042 2 882 592 93 LEU N N 121.378 0.040 1 883 593 94 GLN H H 7.526 0.005 1 884 593 94 GLN HE21 H 7.030 0.006 2 885 593 94 GLN HE22 H 6.530 0.003 2 886 593 94 GLN C C 176.197 0.000 1 887 593 94 GLN CA C 56.498 0.110 1 888 593 94 GLN CB C 27.279 0.000 1 889 593 94 GLN N N 119.354 0.105 1 890 593 94 GLN NE2 N 105.965 0.021 1 891 594 95 GLY H H 7.632 0.004 1 892 594 95 GLY HA2 H 3.408 0.009 2 893 594 95 GLY HA3 H 4.615 0.004 2 894 594 95 GLY C C 174.379 0.000 1 895 594 95 GLY CA C 45.468 0.052 1 896 594 95 GLY N N 109.497 0.039 1 897 595 96 ASP H H 8.835 0.006 1 898 595 96 ASP HA H 4.900 0.006 1 899 595 96 ASP HB2 H 3.117 0.007 2 900 595 96 ASP HB3 H 2.867 0.005 2 901 595 96 ASP C C 177.399 0.000 1 902 595 96 ASP CA C 54.569 0.060 1 903 595 96 ASP CB C 41.291 0.014 1 904 595 96 ASP N N 121.403 0.028 1 905 596 97 LYS H H 9.018 0.004 1 906 596 97 LYS HA H 5.044 0.004 1 907 596 97 LYS HG2 H 1.607 0.002 2 908 596 97 LYS HG3 H 1.272 0.001 2 909 596 97 LYS HE2 H 3.002 0.001 2 910 596 97 LYS HE3 H 3.002 0.001 2 911 596 97 LYS C C 176.620 0.000 1 912 596 97 LYS CA C 56.128 0.054 1 913 596 97 LYS CB C 33.880 0.000 1 914 596 97 LYS CG C 26.216 0.169 1 915 596 97 LYS N N 119.362 0.084 1 916 597 98 LEU H H 9.304 0.004 1 917 597 98 LEU HA H 4.354 0.010 1 918 597 98 LEU HB2 H 1.523 0.010 2 919 597 98 LEU HB3 H 0.803 0.008 2 920 597 98 LEU HG H 1.168 0.008 1 921 597 98 LEU HD1 H 0.602 0.003 2 922 597 98 LEU HD2 H 0.015 0.003 2 923 597 98 LEU C C 176.218 0.000 1 924 597 98 LEU CA C 53.937 0.032 1 925 597 98 LEU CB C 45.114 0.050 1 926 597 98 LEU CG C 27.204 0.010 1 927 597 98 LEU CD1 C 24.416 0.038 2 928 597 98 LEU CD2 C 22.420 0.043 2 929 597 98 LEU N N 125.543 0.046 1 930 598 99 GLU H H 8.314 0.005 1 931 598 99 GLU HA H 4.638 0.000 1 932 598 99 GLU C C 175.099 0.000 1 933 598 99 GLU CA C 55.729 0.023 1 934 598 99 GLU CB C 30.554 0.000 1 935 598 99 GLU N N 121.122 0.054 1 936 599 100 VAL H H 9.330 0.007 1 937 599 100 VAL HA H 5.043 0.005 1 938 599 100 VAL HB H 1.955 0.009 1 939 599 100 VAL HG1 H 0.861 0.008 2 940 599 100 VAL HG2 H 0.733 0.006 2 941 599 100 VAL C C 173.758 0.000 1 942 599 100 VAL CA C 61.106 0.060 1 943 599 100 VAL CB C 32.772 0.038 1 944 599 100 VAL CG1 C 22.330 0.000 2 945 599 100 VAL CG2 C 21.528 0.079 2 946 599 100 VAL N N 130.705 0.099 1 947 600 101 SER H H 9.016 0.005 1 948 600 101 SER HA H 4.942 0.008 1 949 600 101 SER HB2 H 3.748 0.007 2 950 600 101 SER HB3 H 3.596 0.006 2 951 600 101 SER C C 171.934 0.000 1 952 600 101 SER CA C 56.624 0.119 1 953 600 101 SER CB C 67.420 0.063 1 954 600 101 SER N N 119.932 0.075 1 955 601 102 LEU H H 7.919 0.006 1 956 601 102 LEU HA H 5.047 0.005 1 957 601 102 LEU HB2 H 1.189 0.007 2 958 601 102 LEU HB3 H 1.679 0.011 2 959 601 102 LEU HG H 1.296 0.002 1 960 601 102 LEU HD1 H 0.696 0.004 2 961 601 102 LEU HD2 H 0.892 0.002 2 962 601 102 LEU C C 175.753 0.000 1 963 601 102 LEU CA C 54.293 0.014 1 964 601 102 LEU CB C 45.099 0.034 1 965 601 102 LEU CG C 27.615 0.000 1 966 601 102 LEU CD1 C 24.100 0.069 2 967 601 102 LEU CD2 C 26.078 0.020 2 968 601 102 LEU N N 122.984 0.042 1 969 602 103 LYS H H 8.335 0.005 1 970 602 103 LYS HA H 4.455 0.005 1 971 602 103 LYS HB2 H 1.722 0.001 2 972 602 103 LYS HB3 H 1.722 0.001 2 973 602 103 LYS HG2 H 1.336 0.001 2 974 602 103 LYS HG3 H 1.336 0.001 2 975 602 103 LYS HE2 H 2.956 0.000 2 976 602 103 LYS HE3 H 2.956 0.000 2 977 602 103 LYS CA C 55.698 0.000 1 978 602 103 LYS CB C 35.012 0.030 1 979 602 103 LYS CG C 24.591 0.005 1 980 602 103 LYS N N 126.471 0.043 1 981 603 104 ASN HA H 4.293 0.010 1 982 603 104 ASN HB2 H 2.992 0.002 2 983 603 104 ASN HB3 H 2.774 0.003 2 984 603 104 ASN C C 174.155 0.000 1 985 603 104 ASN CA C 54.747 0.135 1 986 603 104 ASN CB C 37.176 0.102 1 987 604 105 ASN H H 8.680 0.002 1 988 604 105 ASN HA H 4.167 0.002 1 989 604 105 ASN HB2 H 3.087 0.005 2 990 604 105 ASN HB3 H 2.967 0.003 2 991 604 105 ASN C C 173.758 0.000 1 992 604 105 ASN CA C 55.175 0.043 1 993 604 105 ASN CB C 38.207 0.017 1 994 604 105 ASN N N 108.810 0.023 1 995 605 106 VAL H H 7.908 0.006 1 996 605 106 VAL HA H 4.288 0.005 1 997 605 106 VAL HB H 2.107 0.006 1 998 605 106 VAL HG1 H 0.958 0.013 2 999 605 106 VAL HG2 H 0.933 0.001 2 1000 605 106 VAL C C 176.336 0.000 1 1001 605 106 VAL CA C 62.139 0.067 1 1002 605 106 VAL CB C 34.436 0.076 1 1003 605 106 VAL CG1 C 20.898 0.099 2 1004 605 106 VAL CG2 C 20.512 0.000 2 1005 605 106 VAL N N 121.572 0.054 1 1006 606 107 VAL H H 9.418 0.004 1 1007 606 107 VAL HA H 4.627 0.001 1 1008 606 107 VAL HB H 1.811 0.006 1 1009 606 107 VAL HG1 H 0.819 0.005 2 1010 606 107 VAL HG2 H 0.618 0.007 2 1011 606 107 VAL C C 174.704 0.000 1 1012 606 107 VAL CA C 61.787 0.036 1 1013 606 107 VAL CB C 32.211 0.060 1 1014 606 107 VAL CG1 C 22.743 0.000 2 1015 606 107 VAL CG2 C 21.690 0.000 2 1016 606 107 VAL N N 133.223 0.070 1 1017 607 108 SER H H 9.123 0.005 1 1018 607 108 SER HA H 5.365 0.006 1 1019 607 108 SER HB2 H 3.233 0.003 2 1020 607 108 SER HB3 H 3.330 0.004 2 1021 607 108 SER C C 171.934 0.000 1 1022 607 108 SER CA C 56.958 0.149 1 1023 607 108 SER CB C 66.469 0.065 1 1024 607 108 SER N N 120.743 0.038 1 1025 608 109 VAL H H 9.144 0.005 1 1026 608 109 VAL HA H 4.780 0.007 1 1027 608 109 VAL HB H 0.990 0.005 1 1028 608 109 VAL HG1 H 0.672 0.004 2 1029 608 109 VAL HG2 H -0.170 0.007 2 1030 608 109 VAL C C 173.903 0.000 1 1031 608 109 VAL CA C 57.399 0.014 1 1032 608 109 VAL CB C 33.962 0.037 1 1033 608 109 VAL CG1 C 18.165 0.077 2 1034 608 109 VAL CG2 C 22.053 0.034 2 1035 608 109 VAL N N 121.138 0.062 1 1036 609 110 ASN H H 9.783 0.005 1 1037 609 110 ASN HA H 4.265 0.008 1 1038 609 110 ASN HB2 H 3.052 0.004 2 1039 609 110 ASN HB3 H 2.962 0.002 2 1040 609 110 ASN HD21 H 7.670 0.002 2 1041 609 110 ASN HD22 H 6.975 0.005 2 1042 609 110 ASN C C 175.296 0.000 1 1043 609 110 ASN CA C 54.008 0.094 1 1044 609 110 ASN CB C 35.921 0.000 1 1045 609 110 ASN N N 128.266 0.058 1 1046 609 110 ASN ND2 N 111.238 0.051 1 1047 610 111 LYS H H 8.302 0.004 1 1048 610 111 LYS HA H 3.648 0.004 1 1049 610 111 LYS HB2 H 1.965 0.001 2 1050 610 111 LYS C C 175.617 0.000 1 1051 610 111 LYS CA C 58.403 0.067 1 1052 610 111 LYS CB C 30.521 0.000 1 1053 610 111 LYS N N 107.513 0.071 1 1054 611 112 GLU H H 8.565 0.009 1 1055 611 112 GLU HA H 4.799 0.000 1 1056 611 112 GLU HB2 H 2.032 0.002 2 1057 611 112 GLU HB3 H 2.032 0.002 2 1058 611 112 GLU HG2 H 2.183 0.003 2 1059 611 112 GLU HG3 H 2.183 0.003 2 1060 611 112 GLU CA C 52.906 0.049 1 1061 611 112 GLU N N 125.401 0.064 1 1062 612 113 PRO HA H 4.686 0.002 1 1063 612 113 PRO HB2 H 1.807 0.001 2 1064 612 113 PRO HB3 H 2.086 0.000 2 1065 612 113 PRO HG2 H 1.966 0.001 2 1066 612 113 PRO HG3 H 2.155 0.003 2 1067 612 113 PRO HD2 H 3.849 0.001 2 1068 612 113 PRO HD3 H 3.849 0.001 2 1069 612 113 PRO C C 177.464 0.000 1 1070 612 113 PRO CA C 62.663 0.053 1 1071 612 113 PRO CB C 32.151 0.066 1 1072 612 113 PRO CG C 27.448 0.041 1 1073 612 113 PRO CD C 50.655 0.000 1 1074 613 114 VAL H H 9.226 0.004 1 1075 613 114 VAL HA H 4.284 0.002 1 1076 613 114 VAL HB H 2.224 0.001 1 1077 613 114 VAL HG1 H 1.008 0.005 2 1078 613 114 VAL HG2 H 0.860 0.001 2 1079 613 114 VAL C C 176.520 0.000 1 1080 613 114 VAL CA C 62.290 0.037 1 1081 613 114 VAL CB C 32.203 0.067 1 1082 613 114 VAL CG1 C 22.213 0.007 2 1083 613 114 VAL CG2 C 22.009 0.029 2 1084 613 114 VAL N N 124.842 0.023 1 1085 614 115 ALA H H 8.910 0.005 1 1086 614 115 ALA HA H 4.337 0.000 1 1087 614 115 ALA HB H 1.436 0.008 1 1088 614 115 ALA C C 178.395 0.000 1 1089 614 115 ALA CA C 54.022 0.016 1 1090 614 115 ALA CB C 19.663 0.017 1 1091 614 115 ALA N N 132.511 0.055 1 1092 615 116 GLU H H 6.869 0.005 1 1093 615 116 GLU HA H 4.873 0.003 1 1094 615 116 GLU CA C 53.488 0.000 1 1095 615 116 GLU N N 115.091 0.038 1 1096 616 117 PRO HA H 5.644 0.005 1 1097 616 117 PRO HB2 H 2.101 0.001 2 1098 616 117 PRO HB3 H 2.045 0.000 2 1099 616 117 PRO HG2 H 2.094 0.005 2 1100 616 117 PRO HG3 H 2.094 0.005 2 1101 616 117 PRO HD2 H 3.983 0.004 2 1102 616 117 PRO HD3 H 3.561 0.001 2 1103 616 117 PRO C C 177.124 0.000 1 1104 616 117 PRO CA C 62.038 0.050 1 1105 616 117 PRO CB C 33.662 0.027 1 1106 616 117 PRO CG C 25.700 0.060 1 1107 616 117 PRO CD C 51.060 0.156 1 1108 617 118 ASP H H 9.745 0.005 1 1109 617 118 ASP HA H 3.885 0.004 1 1110 617 118 ASP HB2 H 2.901 0.000 2 1111 617 118 ASP HB3 H 2.989 0.000 2 1112 617 118 ASP C C 174.982 0.000 1 1113 617 118 ASP CA C 54.875 0.041 1 1114 617 118 ASP CB C 37.661 0.002 1 1115 617 118 ASP N N 114.361 0.043 1 1116 618 119 ILE H H 8.754 0.006 1 1117 618 119 ILE HA H 4.039 0.005 1 1118 618 119 ILE HB H 2.030 0.009 1 1119 618 119 ILE HG12 H 1.543 0.006 2 1120 618 119 ILE HG13 H 1.543 0.006 2 1121 618 119 ILE HG2 H 0.812 0.009 1 1122 618 119 ILE HD1 H 0.741 0.010 1 1123 618 119 ILE C C 175.857 0.000 1 1124 618 119 ILE CA C 62.841 0.067 1 1125 618 119 ILE CB C 36.496 0.058 1 1126 618 119 ILE CG2 C 18.273 0.062 1 1127 618 119 ILE CD1 C 13.794 0.174 1 1128 618 119 ILE N N 121.057 0.083 1 1129 619 120 MET H H 8.077 0.003 1 1130 619 120 MET HA H 4.604 0.002 1 1131 619 120 MET HE H 1.981 0.009 1 1132 619 120 MET C C 174.825 0.000 1 1133 619 120 MET CA C 55.006 0.080 1 1134 619 120 MET CB C 31.457 0.000 1 1135 619 120 MET CE C 15.586 0.040 1 1136 619 120 MET N N 125.664 0.031 1 1137 620 121 ALA H H 8.386 0.006 1 1138 620 121 ALA HA H 4.895 0.006 1 1139 620 121 ALA HB H 1.309 0.005 1 1140 620 121 ALA C C 177.945 0.000 1 1141 620 121 ALA CA C 50.023 0.038 1 1142 620 121 ALA CB C 23.030 0.060 1 1143 620 121 ALA N N 122.929 0.086 1 1144 621 122 THR H H 9.176 0.006 1 1145 621 122 THR HA H 4.046 0.007 1 1146 621 122 THR HB H 4.246 0.005 1 1147 621 122 THR HG2 H 1.169 0.003 1 1148 621 122 THR C C 176.366 0.000 1 1149 621 122 THR CA C 64.526 0.116 1 1150 621 122 THR CB C 68.423 0.043 1 1151 621 122 THR CG2 C 22.646 0.116 1 1152 621 122 THR N N 111.051 0.068 1 1153 622 123 ASN H H 7.970 0.006 1 1154 622 123 ASN HA H 5.034 0.002 1 1155 622 123 ASN HB2 H 2.776 0.002 2 1156 622 123 ASN HB3 H 3.350 0.004 2 1157 622 123 ASN HD21 H 8.107 0.004 2 1158 622 123 ASN HD22 H 6.850 0.003 2 1159 622 123 ASN C C 173.258 0.000 1 1160 622 123 ASN CA C 51.163 0.033 1 1161 622 123 ASN CB C 37.038 0.031 1 1162 622 123 ASN N N 117.402 0.112 1 1163 622 123 ASN ND2 N 108.748 0.042 1 1164 623 124 GLY H H 6.916 0.005 1 1165 623 124 GLY HA2 H 5.032 0.009 2 1166 623 124 GLY HA3 H 3.679 0.005 2 1167 623 124 GLY C C 169.960 0.000 1 1168 623 124 GLY CA C 46.700 0.066 1 1169 623 124 GLY N N 102.697 0.040 1 1170 624 125 VAL H H 8.474 0.007 1 1171 624 125 VAL HA H 4.882 0.007 1 1172 624 125 VAL HB H 1.711 0.001 1 1173 624 125 VAL HG1 H 0.740 0.005 2 1174 624 125 VAL HG2 H 0.557 0.004 2 1175 624 125 VAL C C 170.860 0.000 1 1176 624 125 VAL CA C 58.597 0.035 1 1177 624 125 VAL CB C 34.915 0.073 1 1178 624 125 VAL CG1 C 21.057 0.012 2 1179 624 125 VAL CG2 C 23.117 0.074 2 1180 624 125 VAL N N 120.074 0.042 1 1181 625 126 VAL H H 9.093 0.008 1 1182 625 126 VAL HA H 4.641 0.004 1 1183 625 126 VAL HB H 1.849 0.005 1 1184 625 126 VAL HG1 H 0.551 0.008 2 1185 625 126 VAL HG2 H 0.627 0.007 2 1186 625 126 VAL C C 172.913 0.000 1 1187 625 126 VAL CA C 60.474 0.040 1 1188 625 126 VAL CB C 34.138 0.051 1 1189 625 126 VAL CG1 C 21.204 0.063 2 1190 625 126 VAL CG2 C 21.614 0.073 2 1191 625 126 VAL N N 127.537 0.023 1 1192 626 127 HIS H H 8.732 0.005 1 1193 626 127 HIS HA H 5.499 0.005 1 1194 626 127 HIS HB2 H 2.923 0.006 2 1195 626 127 HIS HB3 H 2.699 0.006 2 1196 626 127 HIS HD2 H 5.784 0.002 1 1197 626 127 HIS HE1 H 8.503 0.003 1 1198 626 127 HIS C C 175.690 0.000 1 1199 626 127 HIS CA C 53.204 0.061 1 1200 626 127 HIS CB C 34.315 0.049 1 1201 626 127 HIS N N 124.236 0.059 1 1202 627 128 VAL H H 8.827 0.007 1 1203 627 128 VAL HA H 4.493 0.005 1 1204 627 128 VAL HB H 2.195 0.010 1 1205 627 128 VAL HG1 H 1.189 0.005 2 1206 627 128 VAL HG2 H 1.329 0.004 2 1207 627 128 VAL C C 176.380 0.000 1 1208 627 128 VAL CA C 64.757 0.086 1 1209 627 128 VAL CB C 32.888 0.000 1 1210 627 128 VAL CG1 C 21.917 0.090 2 1211 627 128 VAL CG2 C 23.334 0.030 2 1212 627 128 VAL N N 124.683 0.055 1 1213 628 129 ILE H H 8.650 0.005 1 1214 628 129 ILE HA H 5.143 0.005 1 1215 628 129 ILE HB H 2.342 0.003 1 1216 628 129 ILE HG2 H 1.124 0.008 1 1217 628 129 ILE HD1 H 1.168 0.003 1 1218 628 129 ILE C C 175.099 0.000 1 1219 628 129 ILE CA C 60.255 0.039 1 1220 628 129 ILE CB C 42.613 0.032 1 1221 628 129 ILE CG2 C 19.251 0.033 1 1222 628 129 ILE CD1 C 15.495 0.041 1 1223 628 129 ILE N N 121.094 0.034 1 1224 629 130 THR H H 9.359 0.007 1 1225 629 130 THR HA H 4.666 0.007 1 1226 629 130 THR HB H 4.474 0.002 1 1227 629 130 THR HG2 H 1.149 0.002 1 1228 629 130 THR C C 173.079 0.000 1 1229 629 130 THR CA C 61.373 0.108 1 1230 629 130 THR CB C 68.776 0.052 1 1231 629 130 THR CG2 C 21.635 0.102 1 1232 629 130 THR N N 108.406 0.087 1 1233 630 131 ASN H H 7.404 0.005 1 1234 630 131 ASN HA H 4.820 0.009 1 1235 630 131 ASN HB2 H 2.332 0.004 2 1236 630 131 ASN HB3 H 2.434 0.003 2 1237 630 131 ASN HD21 H 8.128 0.001 2 1238 630 131 ASN HD22 H 6.635 0.001 2 1239 630 131 ASN C C 172.152 0.000 1 1240 630 131 ASN CA C 52.538 0.011 1 1241 630 131 ASN CB C 43.071 0.013 1 1242 630 131 ASN N N 117.726 0.032 1 1243 630 131 ASN ND2 N 114.799 0.013 1 1244 631 132 VAL H H 8.137 0.007 1 1245 631 132 VAL HA H 3.988 0.006 1 1246 631 132 VAL HB H 1.779 0.001 1 1247 631 132 VAL HG1 H 0.922 0.007 2 1248 631 132 VAL HG2 H 0.151 0.008 2 1249 631 132 VAL C C 176.686 0.000 1 1250 631 132 VAL CA C 62.358 0.070 1 1251 631 132 VAL CB C 32.611 0.054 1 1252 631 132 VAL CG1 C 21.121 0.056 2 1253 631 132 VAL CG2 C 21.327 0.036 2 1254 631 132 VAL N N 118.213 0.064 1 1255 632 133 LEU H H 10.917 0.010 1 1256 632 133 LEU HA H 4.209 0.004 1 1257 632 133 LEU HB2 H 1.111 0.006 2 1258 632 133 LEU HB3 H 0.849 0.007 2 1259 632 133 LEU HG H 1.538 0.006 1 1260 632 133 LEU HD1 H 0.242 0.004 2 1261 632 133 LEU HD2 H 0.653 0.006 2 1262 632 133 LEU C C 175.569 0.000 1 1263 632 133 LEU CA C 55.215 0.059 1 1264 632 133 LEU CB C 41.473 0.061 1 1265 632 133 LEU CG C 26.090 0.000 1 1266 632 133 LEU CD1 C 26.013 0.034 2 1267 632 133 LEU CD2 C 21.904 0.058 2 1268 632 133 LEU N N 132.179 0.080 1 1269 633 134 GLN H H 7.765 0.004 1 1270 633 134 GLN HA H 4.781 0.004 1 1271 633 134 GLN HB2 H 1.803 0.000 2 1272 633 134 GLN HG2 H 2.245 0.004 2 1273 633 134 GLN HG3 H 2.245 0.004 2 1274 633 134 GLN HE21 H 7.533 0.002 2 1275 633 134 GLN HE22 H 6.747 0.002 2 1276 633 134 GLN CA C 52.392 0.000 1 1277 633 134 GLN N N 115.538 0.043 1 1278 633 134 GLN NE2 N 111.278 0.087 1 1279 634 135 PRO HA H 3.579 0.004 1 1280 634 135 PRO HB2 H 1.498 0.002 2 1281 634 135 PRO HB3 H 1.146 0.007 2 1282 634 135 PRO HG2 H 1.630 0.003 2 1283 634 135 PRO HG3 H 1.119 0.008 2 1284 634 135 PRO HD2 H 3.523 0.006 2 1285 634 135 PRO HD3 H 3.125 0.002 2 1286 634 135 PRO CA C 64.291 0.097 1 1287 634 135 PRO CB C 31.196 0.051 1 1288 634 135 PRO CG C 26.131 0.080 1 1289 634 135 PRO CD C 50.241 0.033 1 stop_ save_