data_18467 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; FAS1-4, R555W ; _BMRB_accession_number 18467 _BMRB_flat_file_name bmr18467.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" 655 "13C chemical shifts" 514 "15N chemical shifts" 132 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 18466 'Wild-type FAS1-4' 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 FAS1-4_R555W _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FAS1-4_R555W $FAS1-4_R555W 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_FAS1-4_R555W _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FAS1-4_R555W _Molecular_mass 14484.779 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; AGMGTVMDVLKGDNRFSMLV AAIQSAGLTETLNREGVYTV FAPTNEAFRALPPREWSRLL GDAKELANILKYHIGDEILV SGGIGALVRLKSLQGDKLEV SLKNNVVSVNKEPVAEPDIM ATNGVVHVITNVLQA ; 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 TRP 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 ALA 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" 99.26 146 98.51 99.25 2.18e-88 BMRB 18466 Wild-type_FAS1-4 99.26 135 99.25 99.25 9.93e-89 BMRB 25425 FAS1-4_domain_of_TGFBIp 99.26 158 98.51 98.51 6.68e-88 PDB 1X3B "Solution Structure Of The Fas1 Domain Of Human Transforming Growth Factor-Beta Induced Protein Ig-H3" 99.26 146 98.51 99.25 2.18e-88 PDB 2LTB "Wild-type Fas1-4" 99.26 135 99.25 99.25 9.93e-89 PDB 2LTC "Fas1-4, R555w" 100.00 135 100.00 100.00 3.55e-91 PDB 2VXP "The Fourth Fas1 Domain Structure Of Human Bigh3" 97.78 132 99.24 99.24 2.21e-87 GB AAC24944 "BIGH3 [Homo sapiens]" 97.78 212 99.24 99.24 1.07e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FAS1-4_R555W 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 $FAS1-4_R555W '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 $FAS1-4_R555W 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_ ####################### # 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_FAS1-4_R555W_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 FAS1-4_R555W _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 175.861 0.000 1 2 502 3 MET CA C 55.905 0.000 1 3 502 3 MET CB C 34.158 0.000 1 4 503 4 GLY H H 8.376 0.002 1 5 503 4 GLY HA2 H 4.393 0.008 2 6 503 4 GLY HA3 H 4.161 0.007 2 7 503 4 GLY C C 173.998 0.000 1 8 503 4 GLY CA C 44.482 0.040 1 9 503 4 GLY N N 111.094 0.057 1 10 504 5 THR H H 9.233 0.002 1 11 504 5 THR HA H 4.440 0.003 1 12 504 5 THR HB H 4.728 0.004 1 13 504 5 THR HG1 H 5.046 0.006 1 14 504 5 THR HG2 H 1.223 0.004 1 15 504 5 THR C C 176.360 0.000 1 16 504 5 THR CA C 61.986 0.030 1 17 504 5 THR CB C 73.034 0.000 1 18 504 5 THR CG2 C 21.761 0.031 1 19 504 5 THR N N 111.539 0.026 1 20 505 6 VAL H H 9.918 0.004 1 21 505 6 VAL HA H 3.250 0.006 1 22 505 6 VAL HB H 1.992 0.004 1 23 505 6 VAL HG1 H 0.803 0.009 2 24 505 6 VAL HG2 H 0.709 0.007 2 25 505 6 VAL C C 177.264 0.000 1 26 505 6 VAL CA C 67.200 0.090 1 27 505 6 VAL CB C 31.657 0.063 1 28 505 6 VAL CG2 C 22.316 0.082 2 29 505 6 VAL N N 118.212 0.047 1 30 506 7 MET H H 6.975 0.003 1 31 506 7 MET HA H 4.361 0.007 1 32 506 7 MET HB2 H 1.642 0.002 2 33 506 7 MET HB3 H 1.886 0.004 2 34 506 7 MET HG2 H 2.335 0.007 2 35 506 7 MET HG3 H 2.505 0.002 2 36 506 7 MET HE H 2.000 0.001 1 37 506 7 MET C C 178.097 0.000 1 38 506 7 MET CA C 56.075 0.011 1 39 506 7 MET CB C 30.910 0.000 1 40 506 7 MET CE C 16.545 0.028 1 41 506 7 MET N N 114.107 0.064 1 42 507 8 ASP H H 7.430 0.003 1 43 507 8 ASP HA H 4.255 0.005 1 44 507 8 ASP HB2 H 2.676 0.004 2 45 507 8 ASP HB3 H 3.024 0.006 2 46 507 8 ASP C C 179.824 0.000 1 47 507 8 ASP CA C 58.088 0.053 1 48 507 8 ASP CB C 40.526 0.064 1 49 507 8 ASP N N 120.374 0.062 1 50 508 9 VAL H H 8.174 0.004 1 51 508 9 VAL HA H 3.567 0.004 1 52 508 9 VAL HB H 2.191 0.007 1 53 508 9 VAL HG1 H 0.768 0.004 2 54 508 9 VAL HG2 H 0.940 0.005 2 55 508 9 VAL C C 179.115 0.000 1 56 508 9 VAL CA C 66.131 0.018 1 57 508 9 VAL CB C 31.666 0.022 1 58 508 9 VAL CG1 C 21.055 0.040 2 59 508 9 VAL CG2 C 22.542 0.078 2 60 508 9 VAL N N 121.326 0.063 1 61 509 10 LEU H H 7.896 0.003 1 62 509 10 LEU HA H 4.039 0.008 1 63 509 10 LEU HB2 H 1.756 0.010 2 64 509 10 LEU HB3 H 1.086 0.006 2 65 509 10 LEU HG H 1.905 0.007 1 66 509 10 LEU HD1 H 0.524 0.005 2 67 509 10 LEU HD2 H -0.055 0.003 2 68 509 10 LEU C C 179.091 0.000 1 69 509 10 LEU CA C 57.372 0.036 1 70 509 10 LEU CB C 41.839 0.062 1 71 509 10 LEU CG C 25.556 0.088 1 72 509 10 LEU CD1 C 25.819 0.083 2 73 509 10 LEU CD2 C 21.742 0.071 2 74 509 10 LEU N N 117.258 0.062 1 75 510 11 LYS H H 8.377 0.005 1 76 510 11 LYS HA H 3.959 0.004 1 77 510 11 LYS C C 178.021 0.000 1 78 510 11 LYS CA C 59.047 0.058 1 79 510 11 LYS CB C 32.771 0.000 1 80 510 11 LYS N N 114.824 0.062 1 81 511 12 GLY H H 7.590 0.002 1 82 511 12 GLY HA2 H 4.186 0.002 2 83 511 12 GLY HA3 H 3.720 0.003 2 84 511 12 GLY C C 172.564 0.000 1 85 511 12 GLY CA C 45.442 0.045 1 86 511 12 GLY N N 104.574 0.061 1 87 512 13 ASP H H 7.074 0.003 1 88 512 13 ASP HA H 4.992 0.007 1 89 512 13 ASP HB2 H 2.655 0.005 2 90 512 13 ASP HB3 H 3.288 0.004 2 91 512 13 ASP CA C 52.469 0.033 1 92 512 13 ASP CB C 43.985 0.026 1 93 512 13 ASP N N 120.194 0.064 1 94 513 14 ASN HA H 4.447 0.003 1 95 513 14 ASN HB2 H 2.951 0.000 2 96 513 14 ASN HB3 H 2.904 0.001 2 97 513 14 ASN C C 176.709 0.000 1 98 513 14 ASN CA C 55.819 0.019 1 99 513 14 ASN CB C 38.100 0.041 1 100 514 15 ARG H H 8.573 0.006 1 101 514 15 ARG HA H 4.139 0.009 1 102 514 15 ARG C C 176.109 0.000 1 103 514 15 ARG CA C 58.061 0.014 1 104 514 15 ARG CB C 30.691 0.000 1 105 514 15 ARG N N 118.980 0.057 1 106 515 16 PHE H H 7.592 0.003 1 107 515 16 PHE HA H 5.793 0.007 1 108 515 16 PHE HB2 H 3.568 0.006 2 109 515 16 PHE HB3 H 3.470 0.007 2 110 515 16 PHE HD1 H 7.434 0.007 3 111 515 16 PHE HD2 H 7.434 0.007 3 112 515 16 PHE HE1 H 7.128 0.009 3 113 515 16 PHE HE2 H 7.128 0.009 3 114 515 16 PHE C C 176.420 0.000 1 115 515 16 PHE CA C 55.966 0.082 1 116 515 16 PHE CB C 38.644 0.070 1 117 515 16 PHE CD2 C 131.971 0.000 3 118 515 16 PHE CE2 C 130.756 0.000 3 119 515 16 PHE N N 113.150 0.079 1 120 516 17 SER H H 7.527 0.003 1 121 516 17 SER HA H 4.062 0.007 1 122 516 17 SER HB2 H 3.998 0.000 2 123 516 17 SER HB3 H 3.998 0.000 2 124 516 17 SER C C 178.631 0.000 1 125 516 17 SER CA C 62.695 0.000 1 126 516 17 SER CB C 62.147 0.000 1 127 516 17 SER N N 116.649 0.062 1 128 517 18 MET H H 9.271 0.003 1 129 517 18 MET HA H 4.122 0.004 1 130 517 18 MET HE H 1.379 0.008 1 131 517 18 MET C C 177.503 0.000 1 132 517 18 MET CA C 59.707 0.081 1 133 517 18 MET CB C 32.304 0.000 1 134 517 18 MET CE C 16.966 0.070 1 135 517 18 MET N N 124.591 0.052 1 136 518 19 LEU H H 8.587 0.003 1 137 518 19 LEU HA H 3.893 0.004 1 138 518 19 LEU HB2 H 2.366 0.007 2 139 518 19 LEU HB3 H 2.095 0.006 2 140 518 19 LEU HG H 1.590 0.005 1 141 518 19 LEU HD1 H 1.029 0.003 2 142 518 19 LEU HD2 H 0.991 0.008 2 143 518 19 LEU C C 178.414 0.000 1 144 518 19 LEU CA C 58.118 0.045 1 145 518 19 LEU CB C 41.221 0.000 1 146 518 19 LEU CG C 27.003 0.000 1 147 518 19 LEU CD1 C 23.142 0.096 2 148 518 19 LEU CD2 C 28.368 0.093 2 149 518 19 LEU N N 123.039 0.090 1 150 519 20 VAL H H 9.070 0.003 1 151 519 20 VAL HA H 3.322 0.011 1 152 519 20 VAL HB H 2.093 0.003 1 153 519 20 VAL HG1 H 0.897 0.005 2 154 519 20 VAL HG2 H 0.841 0.004 2 155 519 20 VAL C C 178.032 0.000 1 156 519 20 VAL CA C 67.874 0.033 1 157 519 20 VAL CB C 31.600 0.014 1 158 519 20 VAL CG1 C 25.022 0.053 2 159 519 20 VAL CG2 C 21.540 0.000 2 160 519 20 VAL N N 118.518 0.041 1 161 520 21 ALA H H 7.594 0.003 1 162 520 21 ALA HA H 4.165 0.008 1 163 520 21 ALA HB H 1.570 0.004 1 164 520 21 ALA C C 180.604 0.000 1 165 520 21 ALA CA C 55.125 0.043 1 166 520 21 ALA CB C 17.702 0.035 1 167 520 21 ALA N N 122.534 0.069 1 168 521 22 ALA H H 8.549 0.004 1 169 521 22 ALA HA H 3.945 0.007 1 170 521 22 ALA HB H 1.555 0.005 1 171 521 22 ALA C C 178.468 0.000 1 172 521 22 ALA CA C 54.905 0.019 1 173 521 22 ALA CB C 17.956 0.090 1 174 521 22 ALA N N 123.185 0.043 1 175 522 23 ILE H H 8.963 0.003 1 176 522 23 ILE HA H 3.275 0.007 1 177 522 23 ILE HB H 1.935 0.004 1 178 522 23 ILE HG12 H 1.871 0.007 2 179 522 23 ILE HG13 H 0.676 0.005 2 180 522 23 ILE HG2 H 0.794 0.016 1 181 522 23 ILE HD1 H 0.594 0.006 1 182 522 23 ILE C C 178.024 0.000 1 183 522 23 ILE CA C 66.015 0.034 1 184 522 23 ILE CB C 38.407 0.044 1 185 522 23 ILE CG1 C 31.469 0.063 1 186 522 23 ILE CD1 C 14.440 0.039 1 187 522 23 ILE N N 120.269 0.038 1 188 523 24 GLN H H 7.976 0.005 1 189 523 24 GLN HA H 4.169 0.000 1 190 523 24 GLN HB2 H 2.257 0.010 2 191 523 24 GLN HB3 H 2.120 0.008 2 192 523 24 GLN HG2 H 2.401 0.005 2 193 523 24 GLN HG3 H 2.401 0.005 2 194 523 24 GLN HE21 H 7.419 0.002 2 195 523 24 GLN HE22 H 6.895 0.002 2 196 523 24 GLN C C 180.200 0.000 1 197 523 24 GLN CA C 58.567 0.000 1 198 523 24 GLN CB C 27.611 0.139 1 199 523 24 GLN CG C 33.376 0.071 1 200 523 24 GLN N N 118.677 0.071 1 201 523 24 GLN NE2 N 111.989 0.017 1 202 524 25 SER H H 8.311 0.005 1 203 524 25 SER HB2 H 3.910 0.001 2 204 524 25 SER HB3 H 3.910 0.001 2 205 524 25 SER C C 175.679 0.000 1 206 524 25 SER CA C 62.046 0.015 1 207 524 25 SER CB C 63.015 0.000 1 208 524 25 SER N N 117.810 0.081 1 209 525 26 ALA H H 8.322 0.004 1 210 525 26 ALA HA H 4.307 0.005 1 211 525 26 ALA HB H 1.353 0.005 1 212 525 26 ALA C C 176.838 0.000 1 213 525 26 ALA CA C 52.205 0.016 1 214 525 26 ALA CB C 19.912 0.028 1 215 525 26 ALA N N 119.017 0.083 1 216 526 27 GLY H H 7.749 0.002 1 217 526 27 GLY HA2 H 4.130 0.006 2 218 526 27 GLY HA3 H 4.130 0.006 2 219 526 27 GLY C C 176.606 0.000 1 220 526 27 GLY CA C 46.361 0.023 1 221 526 27 GLY N N 105.650 0.075 1 222 527 28 LEU H H 8.100 0.006 1 223 527 28 LEU HA H 4.452 0.004 1 224 527 28 LEU HB2 H 1.525 0.008 2 225 527 28 LEU HB3 H 1.525 0.008 2 226 527 28 LEU HD1 H 0.820 0.005 2 227 527 28 LEU HD2 H 0.820 0.005 2 228 527 28 LEU C C 175.786 0.000 1 229 527 28 LEU CA C 54.774 0.075 1 230 527 28 LEU CB C 45.162 0.000 1 231 527 28 LEU N N 118.441 0.060 1 232 528 29 THR H H 7.584 0.006 1 233 528 29 THR HA H 3.539 0.006 1 234 528 29 THR HB H 4.000 0.003 1 235 528 29 THR HG1 H 4.764 0.001 1 236 528 29 THR HG2 H 1.128 0.005 1 237 528 29 THR C C 175.468 0.000 1 238 528 29 THR CA C 66.819 0.022 1 239 528 29 THR CB C 68.696 0.079 1 240 528 29 THR CG2 C 22.478 0.076 1 241 528 29 THR N N 117.975 0.079 1 242 529 30 GLU H H 8.304 0.005 1 243 529 30 GLU HA H 3.986 0.003 1 244 529 30 GLU C C 179.348 0.000 1 245 529 30 GLU CA C 59.738 0.009 1 246 529 30 GLU CB C 28.596 0.000 1 247 529 30 GLU N N 117.727 0.045 1 248 530 31 THR H H 7.698 0.004 1 249 530 31 THR HA H 3.758 0.006 1 250 530 31 THR HB H 4.074 0.002 1 251 530 31 THR HG1 H 4.764 0.000 1 252 530 31 THR HG2 H 0.982 0.008 1 253 530 31 THR C C 175.858 0.000 1 254 530 31 THR CA C 67.207 0.000 1 255 530 31 THR CB C 69.145 0.000 1 256 530 31 THR CG2 C 20.329 0.075 1 257 530 31 THR N N 116.063 0.043 1 258 531 32 LEU H H 7.108 0.003 1 259 531 32 LEU HA H 3.921 0.006 1 260 531 32 LEU HB2 H 1.587 0.007 2 261 531 32 LEU HB3 H 1.181 0.011 2 262 531 32 LEU HG H 1.362 0.004 1 263 531 32 LEU HD1 H 0.625 0.008 2 264 531 32 LEU HD2 H 0.142 0.005 2 265 531 32 LEU C C 176.163 0.000 1 266 531 32 LEU CA C 55.681 0.127 1 267 531 32 LEU CB C 41.417 0.093 1 268 531 32 LEU CG C 27.018 0.107 1 269 531 32 LEU CD1 C 25.145 0.032 2 270 531 32 LEU CD2 C 21.081 0.046 2 271 531 32 LEU N N 116.755 0.039 1 272 532 33 ASN H H 7.751 0.004 1 273 532 33 ASN HA H 4.973 0.005 1 274 532 33 ASN HB2 H 2.542 0.008 2 275 532 33 ASN HB3 H 2.820 0.007 2 276 532 33 ASN HD21 H 7.578 0.003 2 277 532 33 ASN HD22 H 6.857 0.002 2 278 532 33 ASN C C 174.820 0.000 1 279 532 33 ASN CA C 52.139 0.037 1 280 532 33 ASN CB C 40.952 0.032 1 281 532 33 ASN N N 118.731 0.056 1 282 533 34 ARG H H 7.296 0.006 1 283 533 34 ARG HA H 4.531 0.002 1 284 533 34 ARG C C 175.355 0.000 1 285 533 34 ARG CA C 55.591 0.003 1 286 533 34 ARG CB C 32.007 0.000 1 287 533 34 ARG N N 119.562 0.090 1 288 534 35 GLU H H 8.508 0.006 1 289 534 35 GLU HA H 4.238 0.002 1 290 534 35 GLU HB2 H 2.023 0.011 2 291 534 35 GLU HB3 H 2.023 0.011 2 292 534 35 GLU HG2 H 2.343 0.001 2 293 534 35 GLU HG3 H 2.343 0.001 2 294 534 35 GLU C C 176.281 0.000 1 295 534 35 GLU CA C 57.698 0.019 1 296 534 35 GLU CB C 29.807 0.000 1 297 534 35 GLU CG C 36.120 0.000 1 298 534 35 GLU N N 120.049 0.072 1 299 535 36 GLY H H 7.949 0.003 1 300 535 36 GLY HA2 H 3.857 0.010 2 301 535 36 GLY HA3 H 3.857 0.010 2 302 535 36 GLY C C 170.566 0.000 1 303 535 36 GLY CA C 44.853 0.058 1 304 535 36 GLY N N 110.987 0.087 1 305 536 37 VAL H H 7.189 0.007 1 306 536 37 VAL HA H 4.126 0.004 1 307 536 37 VAL HB H 1.838 0.006 1 308 536 37 VAL HG1 H 0.724 0.005 2 309 536 37 VAL HG2 H 0.764 0.004 2 310 536 37 VAL C C 173.026 0.000 1 311 536 37 VAL CA C 59.318 0.073 1 312 536 37 VAL CB C 33.633 0.129 1 313 536 37 VAL CG1 C 23.187 0.032 2 314 536 37 VAL CG2 C 18.925 0.044 2 315 536 37 VAL N N 114.744 0.033 1 316 537 38 TYR H H 7.491 0.004 1 317 537 38 TYR HA H 5.187 0.007 1 318 537 38 TYR HB2 H 2.903 0.007 2 319 537 38 TYR HB3 H 2.413 0.005 2 320 537 38 TYR HD1 H 7.108 0.005 3 321 537 38 TYR HD2 H 7.108 0.005 3 322 537 38 TYR HE1 H 6.734 0.003 3 323 537 38 TYR HE2 H 6.734 0.003 3 324 537 38 TYR C C 176.236 0.000 1 325 537 38 TYR CA C 56.755 0.071 1 326 537 38 TYR CB C 42.471 0.075 1 327 537 38 TYR CD1 C 133.454 0.201 1 328 537 38 TYR CD2 C 133.454 0.201 1 329 537 38 TYR CE1 C 117.549 0.073 1 330 537 38 TYR CE2 C 117.549 0.073 1 331 537 38 TYR N N 117.326 0.063 1 332 538 39 THR H H 7.902 0.005 1 333 538 39 THR HA H 4.789 0.006 1 334 538 39 THR HB H 3.761 0.003 1 335 538 39 THR HG1 H 7.155 0.002 1 336 538 39 THR HG2 H 0.803 0.004 1 337 538 39 THR C C 173.433 0.000 1 338 538 39 THR CA C 62.170 0.033 1 339 538 39 THR CB C 70.774 0.067 1 340 538 39 THR CG2 C 23.200 0.021 1 341 538 39 THR N N 117.089 0.056 1 342 539 40 VAL H H 9.183 0.003 1 343 539 40 VAL HA H 4.523 0.015 1 344 539 40 VAL HB H 2.019 0.006 1 345 539 40 VAL HG1 H 0.824 0.005 2 346 539 40 VAL HG2 H 0.708 0.007 2 347 539 40 VAL C C 173.960 0.000 1 348 539 40 VAL CA C 61.184 0.031 1 349 539 40 VAL CB C 33.968 0.166 1 350 539 40 VAL CG1 C 21.650 0.017 2 351 539 40 VAL CG2 C 19.554 0.036 2 352 539 40 VAL N N 126.906 0.047 1 353 540 41 PHE H H 9.084 0.004 1 354 540 41 PHE HA H 5.332 0.007 1 355 540 41 PHE HB2 H 3.316 0.010 2 356 540 41 PHE HB3 H 2.910 0.005 2 357 540 41 PHE HD1 H 7.127 0.006 3 358 540 41 PHE HD2 H 7.127 0.006 3 359 540 41 PHE HE1 H 6.772 0.006 3 360 540 41 PHE HE2 H 6.772 0.006 3 361 540 41 PHE C C 173.378 0.000 1 362 540 41 PHE CA C 57.718 0.058 1 363 540 41 PHE CB C 38.255 0.083 1 364 540 41 PHE CD1 C 132.796 0.053 1 365 540 41 PHE CD2 C 132.796 0.053 1 366 540 41 PHE CE1 C 127.405 0.000 1 367 540 41 PHE CE2 C 127.405 0.000 1 368 540 41 PHE N N 128.634 0.083 1 369 541 42 ALA H H 8.572 0.004 1 370 541 42 ALA HA H 4.499 0.006 1 371 541 42 ALA HB H 0.803 0.005 1 372 541 42 ALA CA C 49.035 0.052 1 373 541 42 ALA CB C 22.804 0.047 1 374 541 42 ALA N N 125.989 0.061 1 375 542 43 PRO HA H 5.030 0.006 1 376 542 43 PRO C C 177.796 0.000 1 377 542 43 PRO CA C 60.823 0.041 1 378 542 43 PRO CB C 31.462 0.000 1 379 543 44 THR H H 7.739 0.004 1 380 543 44 THR HA H 4.423 0.007 1 381 543 44 THR HG1 H 5.280 0.009 1 382 543 44 THR HG2 H 1.214 0.003 1 383 543 44 THR C C 176.323 0.000 1 384 543 44 THR CA C 60.816 0.047 1 385 543 44 THR CB C 71.498 0.000 1 386 543 44 THR CG2 C 22.788 0.087 1 387 543 44 THR N N 111.786 0.044 1 388 544 45 ASN H H 8.679 0.009 1 389 544 45 ASN HA H 4.621 0.005 1 390 544 45 ASN HB2 H 2.890 0.003 2 391 544 45 ASN HB3 H 2.708 0.009 2 392 544 45 ASN HD21 H 7.504 0.010 2 393 544 45 ASN HD22 H 7.351 0.004 2 394 544 45 ASN C C 177.738 0.000 1 395 544 45 ASN CA C 56.092 0.024 1 396 544 45 ASN CB C 37.329 0.000 1 397 544 45 ASN N N 118.432 0.072 1 398 544 45 ASN ND2 N 111.447 0.055 1 399 545 46 GLU H H 8.213 0.010 1 400 545 46 GLU HA H 3.800 0.004 1 401 545 46 GLU HB2 H 1.930 0.000 2 402 545 46 GLU HB3 H 1.930 0.000 2 403 545 46 GLU C C 178.277 0.000 1 404 545 46 GLU CA C 60.129 0.030 1 405 545 46 GLU CB C 29.254 0.000 1 406 545 46 GLU N N 117.774 0.047 1 407 546 47 ALA H H 7.344 0.005 1 408 546 47 ALA HA H 3.965 0.008 1 409 546 47 ALA HB H 1.054 0.004 1 410 546 47 ALA C C 180.270 0.000 1 411 546 47 ALA CA C 54.894 0.026 1 412 546 47 ALA CB C 19.469 0.060 1 413 546 47 ALA N N 121.430 0.022 1 414 547 48 PHE H H 7.128 0.007 1 415 547 48 PHE HA H 3.923 0.008 1 416 547 48 PHE HB2 H 2.809 0.011 2 417 547 48 PHE HB3 H 2.241 0.006 2 418 547 48 PHE HD1 H 6.920 0.005 3 419 547 48 PHE HD2 H 6.920 0.005 3 420 547 48 PHE HE1 H 7.096 0.007 3 421 547 48 PHE HE2 H 7.096 0.007 3 422 547 48 PHE C C 178.849 0.000 1 423 547 48 PHE CA C 61.460 0.117 1 424 547 48 PHE CB C 38.400 0.069 1 425 547 48 PHE CD1 C 132.590 0.051 1 426 547 48 PHE CD2 C 132.590 0.051 1 427 547 48 PHE CE1 C 130.536 0.034 1 428 547 48 PHE CE2 C 130.536 0.034 1 429 547 48 PHE N N 115.617 0.027 1 430 548 49 ARG H H 8.233 0.009 1 431 548 49 ARG C C 175.961 0.000 1 432 548 49 ARG CA C 58.359 0.018 1 433 548 49 ARG CB C 30.082 0.000 1 434 548 49 ARG N N 118.721 0.027 1 435 549 50 ALA H H 7.166 0.006 1 436 549 50 ALA HA H 4.309 0.004 1 437 549 50 ALA HB H 1.510 0.012 1 438 549 50 ALA C C 178.758 0.000 1 439 549 50 ALA CA C 52.405 0.082 1 440 549 50 ALA CB C 18.856 0.056 1 441 549 50 ALA N N 118.911 0.053 1 442 550 51 LEU H H 7.130 0.003 1 443 550 51 LEU HA H 4.541 0.006 1 444 550 51 LEU HB2 H 1.943 0.004 2 445 550 51 LEU HB3 H 1.383 0.007 2 446 550 51 LEU HG H 1.931 0.004 1 447 550 51 LEU HD1 H 1.107 0.003 2 448 550 51 LEU HD2 H 0.971 0.003 2 449 550 51 LEU CA C 53.504 0.039 1 450 550 51 LEU CB C 41.195 0.066 1 451 550 51 LEU CG C 27.181 0.053 1 452 550 51 LEU CD1 C 26.273 0.050 2 453 550 51 LEU CD2 C 23.154 0.054 2 454 550 51 LEU N N 119.543 0.068 1 455 551 52 PRO HA H 4.780 0.010 1 456 551 52 PRO HB2 H 2.590 0.000 2 457 551 52 PRO HG2 H 2.203 0.000 2 458 551 52 PRO HD2 H 4.080 0.002 2 459 551 52 PRO HD3 H 3.551 0.002 2 460 551 52 PRO CA C 61.356 0.000 1 461 551 52 PRO CB C 31.589 0.000 1 462 551 52 PRO CD C 50.417 0.062 1 463 552 53 PRO HA H 4.415 0.004 1 464 552 53 PRO HB2 H 2.064 0.000 2 465 552 53 PRO HB3 H 2.499 0.006 2 466 552 53 PRO HG2 H 2.246 0.005 2 467 552 53 PRO HG3 H 2.145 0.000 2 468 552 53 PRO HD2 H 3.947 0.006 2 469 552 53 PRO HD3 H 3.947 0.006 2 470 552 53 PRO CA C 65.934 0.102 1 471 552 53 PRO CB C 32.117 0.038 1 472 552 53 PRO CG C 27.526 0.000 1 473 552 53 PRO CD C 50.786 0.000 1 474 553 54 ARG C C 178.861 0.000 1 475 553 54 ARG CA C 59.040 0.000 1 476 553 54 ARG CB C 29.650 0.000 1 477 554 55 GLU H H 7.713 0.003 1 478 554 55 GLU HA H 4.569 0.004 1 479 554 55 GLU HB2 H 2.206 0.004 2 480 554 55 GLU HB3 H 2.206 0.004 2 481 554 55 GLU CA C 57.913 0.074 1 482 554 55 GLU CB C 29.799 0.000 1 483 554 55 GLU N N 120.619 0.079 1 484 555 56 TRP H H 8.151 0.005 1 485 555 56 TRP HA H 4.790 0.010 1 486 555 56 TRP HB2 H 3.318 0.004 2 487 555 56 TRP HD1 H 7.141 0.002 1 488 555 56 TRP HE1 H 9.904 0.012 1 489 555 56 TRP HZ2 H 7.160 0.005 1 490 555 56 TRP HZ3 H 7.141 0.002 1 491 555 56 TRP HH2 H 6.556 0.010 1 492 555 56 TRP C C 176.837 0.000 1 493 555 56 TRP CA C 59.458 0.060 1 494 555 56 TRP CB C 30.606 0.000 1 495 555 56 TRP CD1 C 126.761 0.070 1 496 555 56 TRP CZ2 C 114.657 0.000 1 497 555 56 TRP CH2 C 123.960 0.000 1 498 555 56 TRP N N 120.789 0.090 1 499 555 56 TRP NE1 N 128.213 0.039 1 500 556 57 SER H H 8.263 0.004 1 501 556 57 SER HA H 4.169 0.000 1 502 556 57 SER HB2 H 3.790 0.000 2 503 556 57 SER HB3 H 3.862 0.000 2 504 556 57 SER C C 177.169 0.000 1 505 556 57 SER CA C 61.964 0.021 1 506 556 57 SER N N 110.579 0.037 1 507 557 58 ARG H H 7.594 0.003 1 508 557 58 ARG CA C 59.314 0.000 1 509 557 58 ARG CB C 30.188 0.000 1 510 557 58 ARG N N 122.546 0.067 1 511 558 59 LEU H H 8.143 0.003 1 512 558 59 LEU HA H 3.902 0.005 1 513 558 59 LEU HB2 H 1.946 0.003 2 514 558 59 LEU HB3 H 1.287 0.007 2 515 558 59 LEU HG H 1.873 0.010 1 516 558 59 LEU HD1 H 1.043 0.003 2 517 558 59 LEU HD2 H 0.870 0.004 2 518 558 59 LEU C C 178.293 0.000 1 519 558 59 LEU CA C 57.989 0.051 1 520 558 59 LEU CB C 41.974 0.077 1 521 558 59 LEU CG C 27.079 0.051 1 522 558 59 LEU CD1 C 24.858 0.084 2 523 558 59 LEU CD2 C 23.279 0.063 2 524 558 59 LEU N N 120.695 0.069 1 525 559 60 LEU H H 7.725 0.005 1 526 559 60 LEU HA H 3.643 0.006 1 527 559 60 LEU HB2 H 1.202 0.005 2 528 559 60 LEU HB3 H 1.056 0.006 2 529 559 60 LEU HG H 0.566 0.009 1 530 559 60 LEU HD1 H 0.237 0.005 2 531 559 60 LEU HD2 H 0.253 0.006 2 532 559 60 LEU C C 178.818 0.000 1 533 559 60 LEU CA C 56.773 0.032 1 534 559 60 LEU CB C 41.434 0.028 1 535 559 60 LEU CG C 25.977 0.030 1 536 559 60 LEU CD1 C 21.795 0.056 2 537 559 60 LEU CD2 C 24.295 0.077 2 538 559 60 LEU N N 115.713 0.043 1 539 560 61 GLY H H 7.311 0.003 1 540 560 61 GLY HA2 H 4.172 0.006 2 541 560 61 GLY HA3 H 3.629 0.010 2 542 560 61 GLY C C 173.364 0.000 1 543 560 61 GLY CA C 45.029 0.071 1 544 560 61 GLY N N 103.312 0.055 1 545 561 62 ASP H H 7.532 0.003 1 546 561 62 ASP HA H 4.847 0.007 1 547 561 62 ASP HB2 H 3.047 0.004 2 548 561 62 ASP HB3 H 2.382 0.005 2 549 561 62 ASP C C 173.909 0.000 1 550 561 62 ASP CA C 52.302 0.012 1 551 561 62 ASP CB C 41.362 0.000 1 552 561 62 ASP N N 122.455 0.034 1 553 562 63 ALA H H 8.372 0.004 1 554 562 63 ALA HA H 4.019 0.008 1 555 562 63 ALA HB H 1.459 0.007 1 556 562 63 ALA C C 180.109 0.000 1 557 562 63 ALA CA C 55.660 0.046 1 558 562 63 ALA CB C 18.980 0.076 1 559 562 63 ALA N N 125.643 0.045 1 560 563 64 LYS H H 8.111 0.003 1 561 563 64 LYS HA H 4.116 0.007 1 562 563 64 LYS HB2 H 1.963 0.002 2 563 563 64 LYS HB3 H 1.963 0.002 2 564 563 64 LYS HG2 H 1.438 0.000 2 565 563 64 LYS HG3 H 1.587 0.000 2 566 563 64 LYS HD2 H 1.754 0.000 2 567 563 64 LYS HD3 H 1.754 0.000 2 568 563 64 LYS HE2 H 3.055 0.001 2 569 563 64 LYS HE3 H 3.055 0.001 2 570 563 64 LYS C C 179.293 0.000 1 571 563 64 LYS CA C 59.459 0.000 1 572 563 64 LYS CB C 32.165 0.107 1 573 563 64 LYS CG C 25.175 0.000 1 574 563 64 LYS CD C 29.090 0.000 1 575 563 64 LYS N N 117.354 0.068 1 576 564 65 GLU H H 7.725 0.004 1 577 564 65 GLU HA H 4.207 0.008 1 578 564 65 GLU C C 179.679 0.000 1 579 564 65 GLU CA C 58.683 0.000 1 580 564 65 GLU CB C 29.403 0.000 1 581 564 65 GLU N N 120.953 0.058 1 582 565 66 LEU H H 8.668 0.003 1 583 565 66 LEU HA H 4.117 0.004 1 584 565 66 LEU HD1 H 0.852 0.014 2 585 565 66 LEU HD2 H 0.916 0.004 2 586 565 66 LEU C C 178.692 0.000 1 587 565 66 LEU CA C 57.883 0.040 1 588 565 66 LEU CB C 40.916 0.000 1 589 565 66 LEU CD1 C 26.513 0.000 2 590 565 66 LEU N N 120.534 0.062 1 591 566 67 ALA H H 8.474 0.003 1 592 566 67 ALA HA H 3.904 0.004 1 593 566 67 ALA HB H 1.647 0.006 1 594 566 67 ALA C C 179.042 0.000 1 595 566 67 ALA CA C 55.916 0.070 1 596 566 67 ALA CB C 17.972 0.089 1 597 566 67 ALA N N 119.170 0.029 1 598 567 68 ASN H H 7.555 0.002 1 599 567 68 ASN HA H 4.479 0.005 1 600 567 68 ASN HB2 H 2.981 0.005 2 601 567 68 ASN HB3 H 2.981 0.005 2 602 567 68 ASN CA C 57.014 0.058 1 603 567 68 ASN CB C 38.597 0.093 1 604 567 68 ASN N N 115.725 0.037 1 605 568 69 ILE H H 7.832 0.008 1 606 568 69 ILE HA H 4.125 0.005 1 607 568 69 ILE HB H 2.194 0.005 1 608 568 69 ILE HG12 H 1.471 0.008 2 609 568 69 ILE HG13 H 1.896 0.004 2 610 568 69 ILE HG2 H 1.168 0.006 1 611 568 69 ILE HD1 H 1.052 0.003 1 612 568 69 ILE C C 179.766 0.000 1 613 568 69 ILE CA C 64.168 0.008 1 614 568 69 ILE CB C 38.547 0.098 1 615 568 69 ILE CG1 C 29.296 0.000 1 616 568 69 ILE CG2 C 16.959 0.046 1 617 568 69 ILE CD1 C 14.014 0.025 1 618 568 69 ILE N N 118.231 0.076 1 619 569 70 LEU H H 8.705 0.006 1 620 569 70 LEU HA H 4.114 0.003 1 621 569 70 LEU HB2 H 1.877 0.004 2 622 569 70 LEU HB3 H 1.119 0.002 2 623 569 70 LEU HD1 H 0.695 0.006 1 624 569 70 LEU HD2 H 0.695 0.006 1 625 569 70 LEU C C 179.633 0.000 1 626 569 70 LEU CA C 58.463 0.006 1 627 569 70 LEU CB C 42.056 0.131 1 628 569 70 LEU CD1 C 27.077 0.060 1 629 569 70 LEU CD2 C 27.077 0.060 1 630 569 70 LEU N N 120.962 0.043 1 631 570 71 LYS H H 8.889 0.004 1 632 570 71 LYS HA H 3.933 0.004 1 633 570 71 LYS C C 177.691 0.000 1 634 570 71 LYS CA C 60.750 0.003 1 635 570 71 LYS CB C 32.439 0.000 1 636 570 71 LYS N N 116.318 0.028 1 637 571 72 TYR H H 7.557 0.003 1 638 571 72 TYR HA H 4.596 0.005 1 639 571 72 TYR HB2 H 3.176 0.003 2 640 571 72 TYR HB3 H 3.046 0.008 2 641 571 72 TYR HD1 H 6.803 0.004 3 642 571 72 TYR HD2 H 6.803 0.004 3 643 571 72 TYR HE1 H 6.245 0.003 3 644 571 72 TYR HE2 H 6.245 0.003 3 645 571 72 TYR C C 171.958 0.000 1 646 571 72 TYR CA C 59.022 0.247 1 647 571 72 TYR CB C 38.970 0.000 1 648 571 72 TYR CD1 C 132.905 0.020 1 649 571 72 TYR CD2 C 132.905 0.020 1 650 571 72 TYR CE1 C 117.308 0.091 1 651 571 72 TYR CE2 C 117.308 0.091 1 652 571 72 TYR N N 119.628 0.045 1 653 572 73 HIS H H 7.583 0.003 1 654 572 73 HIS HA H 4.206 0.009 1 655 572 73 HIS HB2 H 3.267 0.005 2 656 572 73 HIS HD1 H 11.554 0.004 1 657 572 73 HIS HD2 H 7.193 0.000 1 658 572 73 HIS HE1 H 7.742 0.004 1 659 572 73 HIS C C 173.668 0.000 1 660 572 73 HIS CA C 58.880 0.000 1 661 572 73 HIS CB C 28.164 0.000 1 662 572 73 HIS CE1 C 138.778 0.030 1 663 572 73 HIS N N 108.692 0.035 1 664 572 73 HIS ND1 N 166.209 0.028 1 665 573 74 ILE H H 7.283 0.003 1 666 573 74 ILE HA H 5.236 0.006 1 667 573 74 ILE HB H 1.776 0.004 1 668 573 74 ILE HG12 H 2.083 0.008 1 669 573 74 ILE HG13 H 2.083 0.008 1 670 573 74 ILE HG2 H 0.920 0.005 1 671 573 74 ILE HD1 H 0.691 0.007 1 672 573 74 ILE C C 175.634 0.000 1 673 573 74 ILE CA C 59.501 0.040 1 674 573 74 ILE CB C 40.955 0.003 1 675 573 74 ILE CG1 C 26.940 0.092 1 676 573 74 ILE CG2 C 18.779 0.131 1 677 573 74 ILE CD1 C 14.537 0.078 1 678 573 74 ILE N N 117.585 0.040 1 679 574 75 GLY H H 10.218 0.004 1 680 574 75 GLY HA2 H 5.063 0.008 2 681 574 75 GLY HA3 H 3.412 0.005 2 682 574 75 GLY C C 173.914 0.000 1 683 574 75 GLY CA C 43.960 0.038 1 684 574 75 GLY N N 111.783 0.044 1 685 575 76 ASP H H 8.361 0.004 1 686 575 76 ASP HA H 4.759 0.009 1 687 575 76 ASP HB2 H 2.370 0.006 2 688 575 76 ASP HB3 H 3.023 0.008 2 689 575 76 ASP C C 174.756 0.000 1 690 575 76 ASP CA C 53.707 0.020 1 691 575 76 ASP CB C 41.029 0.077 1 692 575 76 ASP N N 120.537 0.027 1 693 576 77 GLU H H 7.266 0.004 1 694 576 77 GLU HA H 4.472 0.005 1 695 576 77 GLU HB2 H 1.972 0.003 2 696 576 77 GLU HB3 H 1.818 0.004 2 697 576 77 GLU HG2 H 1.977 0.000 2 698 576 77 GLU HG3 H 2.190 0.007 2 699 576 77 GLU CA C 54.500 0.047 1 700 576 77 GLU CB C 33.422 0.050 1 701 576 77 GLU CG C 35.965 0.071 1 702 576 77 GLU N N 114.270 0.087 1 703 577 78 ILE H H 8.514 0.005 1 704 577 78 ILE HA H 3.570 0.006 1 705 577 78 ILE HB H 1.630 0.006 1 706 577 78 ILE HG12 H 1.407 0.004 2 707 577 78 ILE HG13 H 0.864 0.004 2 708 577 78 ILE HG2 H 0.717 0.006 1 709 577 78 ILE HD1 H 0.762 0.006 1 710 577 78 ILE C C 174.815 0.000 1 711 577 78 ILE CA C 62.347 0.055 1 712 577 78 ILE CB C 38.390 0.059 1 713 577 78 ILE CG1 C 28.755 0.077 1 714 577 78 ILE CG2 C 16.947 0.088 1 715 577 78 ILE CD1 C 13.441 0.059 1 716 577 78 ILE N N 120.961 0.039 1 717 578 79 LEU H H 7.973 0.003 1 718 578 79 LEU HA H 4.779 0.005 1 719 578 79 LEU HB2 H 1.819 0.007 2 720 578 79 LEU HB3 H 1.276 0.017 2 721 578 79 LEU HG H 1.363 0.006 1 722 578 79 LEU HD1 H 0.905 0.002 2 723 578 79 LEU HD2 H 0.854 0.003 2 724 578 79 LEU C C 174.161 0.000 1 725 578 79 LEU CA C 53.881 0.039 1 726 578 79 LEU CB C 44.088 0.021 1 727 578 79 LEU CG C 27.193 0.007 1 728 578 79 LEU CD1 C 24.456 0.029 2 729 578 79 LEU CD2 C 26.508 0.099 2 730 578 79 LEU N N 132.660 0.055 1 731 579 80 VAL H H 7.968 0.005 1 732 579 80 VAL HA H 4.767 0.009 1 733 579 80 VAL HB H 2.359 0.006 1 734 579 80 VAL HG1 H 0.808 0.003 2 735 579 80 VAL HG2 H 0.863 0.004 2 736 579 80 VAL C C 178.415 0.000 1 737 579 80 VAL CA C 59.505 0.033 1 738 579 80 VAL CB C 33.491 0.053 1 739 579 80 VAL N N 118.506 0.070 1 740 580 81 SER H H 11.091 0.004 1 741 580 81 SER HA H 3.828 0.015 1 742 580 81 SER C C 177.014 0.000 1 743 580 81 SER CA C 62.856 0.063 1 744 580 81 SER CB C 62.118 0.000 1 745 580 81 SER N N 121.910 0.075 1 746 581 82 GLY H H 8.283 0.004 1 747 581 82 GLY HA2 H 4.023 0.000 2 748 581 82 GLY HA3 H 3.782 0.000 2 749 581 82 GLY C C 174.753 0.000 1 750 581 82 GLY CA C 45.933 0.000 1 751 581 82 GLY N N 107.507 0.069 1 752 582 83 GLY H H 8.244 0.003 1 753 582 83 GLY HA2 H 4.415 0.005 2 754 582 83 GLY HA3 H 3.692 0.004 2 755 582 83 GLY C C 174.383 0.000 1 756 582 83 GLY CA C 44.437 0.038 1 757 582 83 GLY N N 107.844 0.069 1 758 583 84 ILE H H 7.307 0.003 1 759 583 84 ILE HA H 3.820 0.005 1 760 583 84 ILE HB H 1.734 0.005 1 761 583 84 ILE HG12 H 1.853 0.004 2 762 583 84 ILE HG13 H 0.655 0.001 2 763 583 84 ILE HG2 H 0.784 0.006 1 764 583 84 ILE HD1 H 0.666 0.006 1 765 583 84 ILE C C 175.634 0.000 1 766 583 84 ILE CA C 62.879 0.062 1 767 583 84 ILE CB C 39.028 0.000 1 768 583 84 ILE CG1 C 27.978 0.054 1 769 583 84 ILE CG2 C 18.040 0.068 1 770 583 84 ILE CD1 C 15.704 0.070 1 771 583 84 ILE N N 120.981 0.078 1 772 584 85 GLY H H 7.953 0.002 1 773 584 85 GLY HA2 H 4.015 0.000 2 774 584 85 GLY HA3 H 3.792 0.005 2 775 584 85 GLY C C 173.113 0.000 1 776 584 85 GLY CA C 45.639 0.135 1 777 584 85 GLY N N 112.078 0.079 1 778 585 86 ALA H H 8.295 0.001 1 779 585 86 ALA HA H 4.312 0.007 1 780 585 86 ALA HB H 1.433 0.012 1 781 585 86 ALA C C 177.336 0.000 1 782 585 86 ALA CA C 54.080 0.017 1 783 585 86 ALA CB C 19.745 0.000 1 784 585 86 ALA N N 125.109 0.049 1 785 586 87 LEU H H 7.801 0.004 1 786 586 87 LEU HA H 4.716 0.006 1 787 586 87 LEU HB2 H 1.584 0.006 2 788 586 87 LEU HB3 H 1.584 0.006 2 789 586 87 LEU HG H 1.349 0.002 1 790 586 87 LEU HD1 H 0.790 0.003 2 791 586 87 LEU HD2 H 0.772 0.003 2 792 586 87 LEU C C 175.578 0.000 1 793 586 87 LEU CA C 56.100 0.043 1 794 586 87 LEU CB C 43.651 0.000 1 795 586 87 LEU CG C 27.650 0.000 1 796 586 87 LEU CD1 C 24.337 0.021 2 797 586 87 LEU CD2 C 25.278 0.000 2 798 586 87 LEU N N 118.488 0.044 1 799 587 88 VAL H H 9.510 0.003 1 800 587 88 VAL HA H 4.308 0.004 1 801 587 88 VAL HB H 1.954 0.003 1 802 587 88 VAL HG1 H 0.934 0.005 2 803 587 88 VAL HG2 H 1.068 0.007 2 804 587 88 VAL C C 174.142 0.000 1 805 587 88 VAL CA C 61.428 0.115 1 806 587 88 VAL CB C 35.784 0.088 1 807 587 88 VAL CG1 C 21.599 0.034 2 808 587 88 VAL CG2 C 22.098 0.000 2 809 587 88 VAL N N 127.976 0.087 1 810 588 89 ARG H H 8.622 0.002 1 811 588 89 ARG HA H 5.257 0.006 1 812 588 89 ARG HB2 H 1.826 0.000 2 813 588 89 ARG HB3 H 1.440 0.005 2 814 588 89 ARG C C 175.003 0.000 1 815 588 89 ARG CA C 54.807 0.035 1 816 588 89 ARG N N 125.359 0.056 1 817 589 90 LEU H H 8.830 0.005 1 818 589 90 LEU HA H 4.572 0.005 1 819 589 90 LEU HB2 H 1.326 0.002 2 820 589 90 LEU HB3 H 1.772 0.008 2 821 589 90 LEU HG H 1.587 0.005 1 822 589 90 LEU HD1 H 1.025 0.003 2 823 589 90 LEU HD2 H 1.073 0.005 2 824 589 90 LEU C C 174.955 0.000 1 825 589 90 LEU CA C 53.115 0.019 1 826 589 90 LEU CB C 46.021 0.098 1 827 589 90 LEU CG C 26.622 0.206 1 828 589 90 LEU CD1 C 26.350 0.012 2 829 589 90 LEU CD2 C 24.633 0.040 2 830 589 90 LEU N N 127.862 0.064 1 831 590 91 LYS H H 9.429 0.004 1 832 590 91 LYS HA H 4.062 0.006 1 833 590 91 LYS HB2 H 2.108 0.006 2 834 590 91 LYS HB3 H 1.692 0.004 2 835 590 91 LYS HG2 H 1.423 0.002 2 836 590 91 LYS HG3 H 1.704 0.000 2 837 590 91 LYS HD2 H 1.802 0.000 2 838 590 91 LYS HD3 H 1.802 0.000 2 839 590 91 LYS HE2 H 3.145 0.001 2 840 590 91 LYS HE3 H 3.145 0.001 2 841 590 91 LYS C C 174.635 0.000 1 842 590 91 LYS CA C 58.307 0.077 1 843 590 91 LYS CB C 32.514 0.064 1 844 590 91 LYS CG C 25.175 0.000 1 845 590 91 LYS CD C 29.641 0.000 1 846 590 91 LYS N N 129.215 0.121 1 847 591 92 SER H H 7.995 0.005 1 848 591 92 SER HA H 5.581 0.006 1 849 591 92 SER HB2 H 4.822 0.004 2 850 591 92 SER HB3 H 3.819 0.010 2 851 591 92 SER HG H 5.571 0.007 1 852 591 92 SER C C 178.007 0.000 1 853 591 92 SER CA C 58.234 0.045 1 854 591 92 SER CB C 67.287 0.024 1 855 591 92 SER N N 121.512 0.058 1 856 592 93 LEU H H 9.336 0.004 1 857 592 93 LEU HA H 4.300 0.004 1 858 592 93 LEU HB2 H 2.059 0.016 2 859 592 93 LEU HB3 H 1.650 0.004 2 860 592 93 LEU HG H 1.955 0.005 1 861 592 93 LEU HD1 H 1.016 0.004 2 862 592 93 LEU HD2 H 0.948 0.003 2 863 592 93 LEU C C 178.518 0.000 1 864 592 93 LEU CA C 57.245 0.012 1 865 592 93 LEU CB C 41.313 0.073 1 866 592 93 LEU CG C 27.624 0.012 1 867 592 93 LEU CD1 C 22.153 0.074 2 868 592 93 LEU CD2 C 24.641 0.000 2 869 592 93 LEU N N 121.124 0.066 1 870 593 94 GLN H H 7.491 0.003 1 871 593 94 GLN HA H 4.249 0.006 1 872 593 94 GLN HB2 H 2.436 0.008 2 873 593 94 GLN HB3 H 2.080 0.004 2 874 593 94 GLN HG2 H 2.589 0.005 2 875 593 94 GLN HG3 H 2.589 0.005 2 876 593 94 GLN HE21 H 7.080 0.003 2 877 593 94 GLN HE22 H 6.492 0.003 2 878 593 94 GLN C C 176.082 0.000 1 879 593 94 GLN CA C 56.540 0.000 1 880 593 94 GLN CB C 27.654 0.086 1 881 593 94 GLN CG C 31.973 0.081 1 882 593 94 GLN N N 118.739 0.072 1 883 593 94 GLN NE2 N 107.366 0.041 1 884 594 95 GLY H H 7.631 0.003 1 885 594 95 GLY HA2 H 3.401 0.006 2 886 594 95 GLY HA3 H 4.618 0.004 2 887 594 95 GLY C C 174.393 0.000 1 888 594 95 GLY CA C 45.457 0.021 1 889 594 95 GLY N N 109.382 0.046 1 890 595 96 ASP H H 8.650 0.004 1 891 595 96 ASP HA H 4.863 0.004 1 892 595 96 ASP HB2 H 2.957 0.003 2 893 595 96 ASP HB3 H 2.847 0.005 2 894 595 96 ASP C C 177.273 0.000 1 895 595 96 ASP CA C 54.520 0.023 1 896 595 96 ASP CB C 41.277 0.000 1 897 595 96 ASP N N 121.087 0.046 1 898 596 97 LYS H H 9.028 0.003 1 899 596 97 LYS HA H 5.025 0.005 1 900 596 97 LYS HB2 H 1.854 0.006 2 901 596 97 LYS HB3 H 1.518 0.006 2 902 596 97 LYS HG2 H 1.616 0.001 2 903 596 97 LYS HG3 H 1.296 0.000 2 904 596 97 LYS HD2 H 1.618 0.000 2 905 596 97 LYS HD3 H 1.618 0.000 2 906 596 97 LYS HE2 H 3.019 0.002 2 907 596 97 LYS HE3 H 3.019 0.002 2 908 596 97 LYS C C 176.566 0.000 1 909 596 97 LYS CA C 56.274 0.080 1 910 596 97 LYS CB C 33.771 0.064 1 911 596 97 LYS CG C 25.974 0.000 1 912 596 97 LYS CD C 29.502 0.000 1 913 596 97 LYS N N 119.713 0.065 1 914 597 98 LEU H H 9.336 0.005 1 915 597 98 LEU HA H 4.398 0.006 1 916 597 98 LEU HB2 H 1.538 0.006 2 917 597 98 LEU HB3 H 0.827 0.005 2 918 597 98 LEU HG H 1.205 0.004 1 919 597 98 LEU HD1 H 0.608 0.005 2 920 597 98 LEU HD2 H 0.094 0.004 2 921 597 98 LEU C C 176.144 0.000 1 922 597 98 LEU CA C 53.899 0.033 1 923 597 98 LEU CB C 45.148 0.148 1 924 597 98 LEU CG C 27.146 0.028 1 925 597 98 LEU CD1 C 24.439 0.072 2 926 597 98 LEU CD2 C 22.546 0.043 2 927 597 98 LEU N N 125.754 0.054 1 928 598 99 GLU H H 8.368 0.004 1 929 598 99 GLU HA H 4.662 0.005 1 930 598 99 GLU HB2 H 1.921 0.002 1 931 598 99 GLU HB3 H 1.921 0.002 1 932 598 99 GLU HG2 H 2.265 0.003 1 933 598 99 GLU HG3 H 2.265 0.003 1 934 598 99 GLU C C 175.132 0.000 1 935 598 99 GLU CA C 55.714 0.031 1 936 598 99 GLU CB C 30.542 0.000 1 937 598 99 GLU N N 121.101 0.106 1 938 599 100 VAL H H 9.337 0.003 1 939 599 100 VAL HA H 5.046 0.012 1 940 599 100 VAL HB H 1.962 0.005 1 941 599 100 VAL HG1 H 0.862 0.004 2 942 599 100 VAL HG2 H 0.736 0.004 2 943 599 100 VAL C C 173.759 0.000 1 944 599 100 VAL CA C 61.081 0.069 1 945 599 100 VAL CB C 32.873 0.026 1 946 599 100 VAL CG1 C 22.307 0.046 2 947 599 100 VAL CG2 C 21.473 0.047 2 948 599 100 VAL N N 130.595 0.052 1 949 600 101 SER H H 9.033 0.007 1 950 600 101 SER HA H 4.943 0.004 1 951 600 101 SER HB2 H 3.747 0.006 2 952 600 101 SER HB3 H 3.606 0.013 2 953 600 101 SER C C 171.934 0.000 1 954 600 101 SER CA C 56.540 0.034 1 955 600 101 SER CB C 67.405 0.000 1 956 600 101 SER N N 119.887 0.070 1 957 601 102 LEU H H 7.930 0.003 1 958 601 102 LEU HA H 5.047 0.005 1 959 601 102 LEU HB2 H 1.194 0.007 2 960 601 102 LEU HB3 H 1.676 0.006 2 961 601 102 LEU HG H 1.299 0.004 1 962 601 102 LEU HD1 H 0.696 0.006 2 963 601 102 LEU HD2 H 0.889 0.005 2 964 601 102 LEU C C 175.767 0.000 1 965 601 102 LEU CA C 54.324 0.059 1 966 601 102 LEU CB C 45.374 0.000 1 967 601 102 LEU CG C 27.636 0.000 1 968 601 102 LEU CD1 C 24.195 0.075 2 969 601 102 LEU CD2 C 26.068 0.080 2 970 601 102 LEU N N 123.007 0.059 1 971 602 103 LYS H H 8.335 0.006 1 972 602 103 LYS HA H 4.457 0.004 1 973 602 103 LYS HB2 H 1.719 0.008 2 974 602 103 LYS HB3 H 1.719 0.008 2 975 602 103 LYS HG2 H 1.296 0.000 2 976 602 103 LYS HG3 H 1.370 0.000 2 977 602 103 LYS HD2 H 1.653 0.002 2 978 602 103 LYS HD3 H 1.653 0.002 2 979 602 103 LYS HE2 H 2.960 0.002 2 980 602 103 LYS HE3 H 2.960 0.002 2 981 602 103 LYS CA C 55.707 0.008 1 982 602 103 LYS CB C 35.032 0.033 1 983 602 103 LYS CG C 24.940 0.000 1 984 602 103 LYS CD C 29.158 0.030 1 985 602 103 LYS CE C 42.209 0.026 1 986 602 103 LYS N N 126.480 0.088 1 987 603 104 ASN HA H 4.296 0.005 1 988 603 104 ASN HB2 H 2.991 0.005 2 989 603 104 ASN HB3 H 2.766 0.005 2 990 603 104 ASN C C 174.156 0.000 1 991 603 104 ASN CA C 54.724 0.071 1 992 603 104 ASN CB C 37.168 0.113 1 993 604 105 ASN H H 8.682 0.004 1 994 604 105 ASN HA H 4.167 0.003 1 995 604 105 ASN HB2 H 3.086 0.006 2 996 604 105 ASN HB3 H 2.971 0.005 2 997 604 105 ASN C C 173.754 0.000 1 998 604 105 ASN CA C 55.146 0.039 1 999 604 105 ASN CB C 38.249 0.038 1 1000 604 105 ASN N N 108.763 0.046 1 1001 605 106 VAL H H 7.906 0.002 1 1002 605 106 VAL HA H 4.285 0.004 1 1003 605 106 VAL HB H 2.107 0.004 1 1004 605 106 VAL HG1 H 0.931 0.005 2 1005 605 106 VAL HG2 H 0.963 0.003 2 1006 605 106 VAL C C 176.332 0.000 1 1007 605 106 VAL CA C 62.112 0.030 1 1008 605 106 VAL CB C 34.425 0.036 1 1009 605 106 VAL CG1 C 21.186 0.079 1 1010 605 106 VAL CG2 C 21.186 0.079 1 1011 605 106 VAL N N 121.612 0.019 1 1012 606 107 VAL H H 9.422 0.005 1 1013 606 107 VAL HA H 4.615 0.005 1 1014 606 107 VAL HB H 1.811 0.007 1 1015 606 107 VAL HG1 H 0.815 0.004 2 1016 606 107 VAL HG2 H 0.620 0.008 2 1017 606 107 VAL C C 174.697 0.000 1 1018 606 107 VAL CA C 61.712 0.073 1 1019 606 107 VAL CB C 32.254 0.007 1 1020 606 107 VAL CG1 C 22.807 0.082 2 1021 606 107 VAL CG2 C 21.624 0.000 2 1022 606 107 VAL N N 133.233 0.041 1 1023 607 108 SER H H 9.113 0.003 1 1024 607 108 SER HA H 5.360 0.011 1 1025 607 108 SER HB2 H 3.325 0.011 2 1026 607 108 SER HB3 H 3.241 0.031 2 1027 607 108 SER C C 171.938 0.000 1 1028 607 108 SER CA C 57.031 0.048 1 1029 607 108 SER CB C 66.490 0.000 1 1030 607 108 SER N N 120.829 0.104 1 1031 608 109 VAL H H 9.120 0.006 1 1032 608 109 VAL HA H 4.797 0.007 1 1033 608 109 VAL HB H 1.004 0.007 1 1034 608 109 VAL HG1 H 0.671 0.005 2 1035 608 109 VAL HG2 H -0.153 0.004 2 1036 608 109 VAL C C 173.930 0.000 1 1037 608 109 VAL CA C 57.351 0.022 1 1038 608 109 VAL CB C 33.964 0.049 1 1039 608 109 VAL CG1 C 18.177 0.082 2 1040 608 109 VAL CG2 C 21.966 0.065 2 1041 608 109 VAL N N 121.130 0.064 1 1042 609 110 ASN H H 9.777 0.006 1 1043 609 110 ASN HA H 4.271 0.007 1 1044 609 110 ASN HB2 H 3.079 0.008 2 1045 609 110 ASN HB3 H 2.981 0.005 2 1046 609 110 ASN HD21 H 7.664 0.006 2 1047 609 110 ASN HD22 H 7.009 0.009 2 1048 609 110 ASN C C 175.369 0.000 1 1049 609 110 ASN CA C 54.004 0.008 1 1050 609 110 ASN CB C 35.927 0.000 1 1051 609 110 ASN N N 128.284 0.074 1 1052 609 110 ASN ND2 N 111.013 0.025 1 1053 610 111 LYS H H 8.290 0.007 1 1054 610 111 LYS HA H 3.660 0.006 1 1055 610 111 LYS HG2 H 1.334 0.000 2 1056 610 111 LYS HG3 H 1.334 0.000 2 1057 610 111 LYS HE2 H 2.962 0.000 2 1058 610 111 LYS HE3 H 2.962 0.000 2 1059 610 111 LYS C C 175.573 0.000 1 1060 610 111 LYS CA C 58.404 0.000 1 1061 610 111 LYS CB C 30.549 0.000 1 1062 610 111 LYS CG C 25.451 0.000 1 1063 610 111 LYS N N 107.711 0.174 1 1064 611 112 GLU H H 8.595 0.006 1 1065 611 112 GLU HA H 4.763 0.001 1 1066 611 112 GLU HB2 H 2.013 0.000 2 1067 611 112 GLU HB3 H 2.013 0.000 2 1068 611 112 GLU HG2 H 2.202 0.006 2 1069 611 112 GLU HG3 H 2.202 0.006 2 1070 611 112 GLU CA C 52.981 0.000 1 1071 611 112 GLU CB C 29.509 0.000 1 1072 611 112 GLU N N 125.822 0.066 1 1073 612 113 PRO HA H 4.682 0.007 1 1074 612 113 PRO HB2 H 1.807 0.000 2 1075 612 113 PRO HB3 H 2.072 0.000 2 1076 612 113 PRO HG2 H 1.961 0.007 2 1077 612 113 PRO HG3 H 2.141 0.010 2 1078 612 113 PRO HD2 H 3.811 0.000 2 1079 612 113 PRO HD3 H 3.872 0.000 2 1080 612 113 PRO C C 177.310 0.000 1 1081 612 113 PRO CA C 62.649 0.000 1 1082 612 113 PRO CB C 32.139 0.043 1 1083 612 113 PRO CG C 27.509 0.036 1 1084 612 113 PRO CD C 50.623 0.014 1 1085 613 114 VAL H H 9.214 0.003 1 1086 613 114 VAL HA H 4.274 0.007 1 1087 613 114 VAL HB H 2.214 0.009 1 1088 613 114 VAL HG1 H 1.006 0.004 2 1089 613 114 VAL HG2 H 0.851 0.005 2 1090 613 114 VAL C C 176.558 0.000 1 1091 613 114 VAL CA C 62.350 0.051 1 1092 613 114 VAL CB C 32.473 0.000 1 1093 613 114 VAL CG2 C 22.046 0.031 2 1094 613 114 VAL N N 124.773 0.040 1 1095 614 115 ALA H H 8.935 0.003 1 1096 614 115 ALA HA H 4.321 0.009 1 1097 614 115 ALA HB H 1.425 0.003 1 1098 614 115 ALA C C 178.354 0.000 1 1099 614 115 ALA CA C 53.995 0.065 1 1100 614 115 ALA CB C 19.616 0.018 1 1101 614 115 ALA N N 132.583 0.044 1 1102 615 116 GLU H H 6.867 0.004 1 1103 615 116 GLU HA H 4.866 0.012 1 1104 615 116 GLU HB2 H 2.035 0.006 2 1105 615 116 GLU HB3 H 2.035 0.006 2 1106 615 116 GLU HG2 H 2.237 0.007 2 1107 615 116 GLU HG3 H 2.237 0.007 2 1108 615 116 GLU CA C 53.432 0.022 1 1109 615 116 GLU CB C 31.554 0.000 1 1110 615 116 GLU N N 115.172 0.043 1 1111 616 117 PRO HA H 5.651 0.006 1 1112 616 117 PRO HB2 H 2.102 0.008 2 1113 616 117 PRO HB3 H 2.042 0.007 2 1114 616 117 PRO HD2 H 3.977 0.002 2 1115 616 117 PRO HD3 H 3.559 0.002 2 1116 616 117 PRO C C 177.099 0.000 1 1117 616 117 PRO CA C 61.960 0.101 1 1118 616 117 PRO CB C 33.618 0.000 1 1119 616 117 PRO CD C 50.902 0.212 1 1120 617 118 ASP H H 9.727 0.004 1 1121 617 118 ASP HA H 3.881 0.006 1 1122 617 118 ASP HB2 H 2.904 0.004 2 1123 617 118 ASP HB3 H 2.988 0.000 2 1124 617 118 ASP C C 174.967 0.000 1 1125 617 118 ASP CA C 54.921 0.065 1 1126 617 118 ASP CB C 37.857 0.152 1 1127 617 118 ASP N N 114.290 0.085 1 1128 618 119 ILE H H 8.750 0.005 1 1129 618 119 ILE HA H 4.037 0.005 1 1130 618 119 ILE HB H 2.027 0.005 1 1131 618 119 ILE HG12 H 1.551 0.005 2 1132 618 119 ILE HG13 H 0.865 0.006 2 1133 618 119 ILE HG2 H 0.812 0.006 1 1134 618 119 ILE HD1 H 0.735 0.006 1 1135 618 119 ILE C C 175.869 0.000 1 1136 618 119 ILE CA C 62.807 0.069 1 1137 618 119 ILE CB C 36.618 0.069 1 1138 618 119 ILE CG1 C 27.095 0.000 1 1139 618 119 ILE CG2 C 18.341 0.085 1 1140 618 119 ILE CD1 C 13.953 0.105 1 1141 618 119 ILE N N 121.048 0.062 1 1142 619 120 MET H H 8.080 0.003 1 1143 619 120 MET HA H 4.601 0.004 1 1144 619 120 MET HB2 H 1.995 0.007 2 1145 619 120 MET HB3 H 1.995 0.007 2 1146 619 120 MET HG2 H 2.760 0.002 2 1147 619 120 MET HG3 H 2.668 0.001 2 1148 619 120 MET HE H 1.971 0.001 1 1149 619 120 MET C C 174.817 0.000 1 1150 619 120 MET CA C 54.936 0.022 1 1151 619 120 MET CB C 31.313 0.000 1 1152 619 120 MET CE C 15.615 0.059 1 1153 619 120 MET N N 125.674 0.042 1 1154 620 121 ALA H H 8.377 0.006 1 1155 620 121 ALA HA H 4.902 0.004 1 1156 620 121 ALA HB H 1.311 0.004 1 1157 620 121 ALA C C 177.908 0.000 1 1158 620 121 ALA CA C 49.986 0.011 1 1159 620 121 ALA CB C 23.115 0.025 1 1160 620 121 ALA N N 122.849 0.053 1 1161 621 122 THR H H 9.183 0.002 1 1162 621 122 THR HA H 4.051 0.004 1 1163 621 122 THR HB H 4.251 0.006 1 1164 621 122 THR HG2 H 1.165 0.001 1 1165 621 122 THR C C 176.320 0.000 1 1166 621 122 THR CA C 64.524 0.069 1 1167 621 122 THR CB C 68.391 0.073 1 1168 621 122 THR CG2 C 22.718 0.020 1 1169 621 122 THR N N 111.104 0.032 1 1170 622 123 ASN H H 7.969 0.004 1 1171 622 123 ASN HA H 5.030 0.005 1 1172 622 123 ASN HB2 H 2.775 0.008 2 1173 622 123 ASN HB3 H 3.349 0.005 2 1174 622 123 ASN HD21 H 8.096 0.004 2 1175 622 123 ASN HD22 H 6.853 0.006 2 1176 622 123 ASN C C 173.263 0.000 1 1177 622 123 ASN CA C 51.203 0.066 1 1178 622 123 ASN CB C 37.076 0.038 1 1179 622 123 ASN N N 117.445 0.124 1 1180 622 123 ASN ND2 N 108.752 0.031 1 1181 623 124 GLY H H 6.921 0.005 1 1182 623 124 GLY HA2 H 5.012 0.010 2 1183 623 124 GLY HA3 H 3.693 0.007 2 1184 623 124 GLY C C 169.925 0.000 1 1185 623 124 GLY CA C 46.709 0.051 1 1186 623 124 GLY N N 102.705 0.047 1 1187 624 125 VAL H H 8.485 0.009 1 1188 624 125 VAL HA H 4.877 0.007 1 1189 624 125 VAL HB H 1.711 0.005 1 1190 624 125 VAL HG1 H 0.736 0.003 2 1191 624 125 VAL HG2 H 0.559 0.003 2 1192 624 125 VAL C C 170.887 0.000 1 1193 624 125 VAL CA C 58.527 0.110 1 1194 624 125 VAL CB C 34.967 0.037 1 1195 624 125 VAL CG1 C 21.116 0.105 2 1196 624 125 VAL CG2 C 23.192 0.043 2 1197 624 125 VAL N N 119.913 0.047 1 1198 625 126 VAL H H 9.106 0.005 1 1199 625 126 VAL HA H 4.619 0.005 1 1200 625 126 VAL HB H 1.854 0.007 1 1201 625 126 VAL HG1 H 0.550 0.005 2 1202 625 126 VAL HG2 H 0.627 0.011 2 1203 625 126 VAL C C 172.882 0.000 1 1204 625 126 VAL CA C 60.534 0.027 1 1205 625 126 VAL CB C 34.184 0.022 1 1206 625 126 VAL CG1 C 21.286 0.058 2 1207 625 126 VAL CG2 C 21.581 0.067 2 1208 625 126 VAL N N 127.599 0.064 1 1209 626 127 HIS H H 8.754 0.012 1 1210 626 127 HIS HA H 5.494 0.006 1 1211 626 127 HIS HB2 H 2.929 0.007 2 1212 626 127 HIS HB3 H 2.715 0.008 2 1213 626 127 HIS HD2 H 5.813 0.005 1 1214 626 127 HIS HE1 H 8.509 0.003 1 1215 626 127 HIS C C 175.629 0.000 1 1216 626 127 HIS CA C 53.247 0.067 1 1217 626 127 HIS CB C 34.369 0.047 1 1218 626 127 HIS CD2 C 117.786 0.000 1 1219 626 127 HIS CE1 C 140.262 0.079 1 1220 626 127 HIS N N 124.292 0.046 1 1221 627 128 VAL H H 8.812 0.006 1 1222 627 128 VAL HA H 4.512 0.004 1 1223 627 128 VAL HB H 2.181 0.005 1 1224 627 128 VAL HG1 H 1.160 0.008 2 1225 627 128 VAL HG2 H 1.319 0.005 2 1226 627 128 VAL C C 176.349 0.000 1 1227 627 128 VAL CA C 64.730 0.069 1 1228 627 128 VAL CB C 32.980 0.115 1 1229 627 128 VAL CG1 C 22.005 0.105 2 1230 627 128 VAL CG2 C 23.321 0.053 2 1231 627 128 VAL N N 124.493 0.043 1 1232 628 129 ILE H H 8.629 0.006 1 1233 628 129 ILE HA H 5.118 0.007 1 1234 628 129 ILE HB H 2.316 0.005 1 1235 628 129 ILE HG2 H 1.099 0.007 1 1236 628 129 ILE HD1 H 1.164 0.004 1 1237 628 129 ILE C C 175.190 0.000 1 1238 628 129 ILE CA C 60.217 0.073 1 1239 628 129 ILE CB C 42.539 0.035 1 1240 628 129 ILE CG2 C 19.169 0.022 1 1241 628 129 ILE CD1 C 15.348 0.051 1 1242 628 129 ILE N N 121.077 0.066 1 1243 629 130 THR H H 9.368 0.005 1 1244 629 130 THR HA H 4.671 0.013 1 1245 629 130 THR HB H 4.437 0.003 1 1246 629 130 THR HG2 H 1.114 0.003 1 1247 629 130 THR C C 172.980 0.000 1 1248 629 130 THR CA C 61.381 0.065 1 1249 629 130 THR CB C 68.784 0.016 1 1250 629 130 THR CG2 C 21.549 0.056 1 1251 629 130 THR N N 108.406 0.058 1 1252 630 131 ASN H H 7.355 0.003 1 1253 630 131 ASN HA H 4.754 0.005 1 1254 630 131 ASN HB2 H 2.332 0.004 2 1255 630 131 ASN HB3 H 2.433 0.003 2 1256 630 131 ASN HD21 H 8.178 0.003 2 1257 630 131 ASN HD22 H 6.667 0.008 2 1258 630 131 ASN C C 172.493 0.000 1 1259 630 131 ASN CA C 52.575 0.017 1 1260 630 131 ASN CB C 43.079 0.070 1 1261 630 131 ASN N N 117.533 0.053 1 1262 630 131 ASN ND2 N 115.362 0.041 1 1263 631 132 VAL H H 8.087 0.005 1 1264 631 132 VAL HA H 3.914 0.008 1 1265 631 132 VAL HB H 1.828 0.005 1 1266 631 132 VAL HG1 H 0.952 0.006 2 1267 631 132 VAL HG2 H 0.242 0.005 2 1268 631 132 VAL C C 176.909 0.000 1 1269 631 132 VAL CA C 62.424 0.075 1 1270 631 132 VAL CB C 32.453 0.089 1 1271 631 132 VAL CG1 C 21.169 0.034 2 1272 631 132 VAL CG2 C 21.794 0.089 2 1273 631 132 VAL N N 117.886 0.043 1 1274 632 133 LEU H H 10.937 0.005 1 1275 632 133 LEU HA H 4.220 0.006 1 1276 632 133 LEU HB2 H 1.128 0.009 2 1277 632 133 LEU HB3 H 1.018 0.007 2 1278 632 133 LEU HG H 1.591 0.007 1 1279 632 133 LEU HD1 H 0.275 0.005 2 1280 632 133 LEU HD2 H 0.682 0.004 2 1281 632 133 LEU CA C 55.468 0.067 1 1282 632 133 LEU CG C 26.093 0.044 1 1283 632 133 LEU CD1 C 26.032 0.021 2 1284 632 133 LEU CD2 C 22.315 0.083 2 1285 632 133 LEU N N 130.948 0.048 1 1286 633 134 GLN H H 7.992 0.006 1 1287 633 134 GLN HA H 4.361 0.003 1 1288 633 134 GLN HB2 H 2.024 0.000 2 1289 633 134 GLN HB3 H 1.882 0.000 2 1290 633 134 GLN HG2 H 2.280 0.002 2 1291 633 134 GLN HG3 H 2.280 0.002 2 1292 633 134 GLN CA C 55.043 0.071 1 1293 633 134 GLN CB C 31.449 0.000 1 1294 633 134 GLN CG C 34.205 0.000 1 1295 633 134 GLN N N 118.157 0.107 1 1296 634 135 ALA H H 7.860 0.006 1 1297 634 135 ALA HA H 3.738 0.004 1 1298 634 135 ALA HB H 0.836 0.003 1 1299 634 135 ALA CA C 53.771 0.050 1 1300 634 135 ALA CB C 19.381 0.053 1 1301 634 135 ALA N N 132.890 0.103 1 stop_ save_