data_26782 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for human USP7 in complex with ICP0 from HSV-1 ; _BMRB_accession_number 26782 _BMRB_flat_file_name bmr26782.str _Entry_type original _Submission_date 2016-04-21 _Accession_date 2016-04-21 _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 Pozhidaeva Alexandra K. . 2 Korzhnev Dmitry M. . 3 Bezsonova Irina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 187 "13C chemical shifts" 563 "15N chemical shifts" 187 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-05-24 original BMRB . stop_ _Original_release_date 2016-05-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; "Structural Characterization of Interaction between Human Ubiquitin-specific Protease 7 and Immediate-Early Protein ICP0 of Herpes Simplex Virus-1" ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26224631 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pozhidaeva Alexandra K. . 2 Mohni Kareem N. . 3 Dhe-Paganon Sirano . . 4 Arrowsmith Cheryl H. . 5 Weller Sandra K. . 6 Korzhnev Dmitry M. . 7 Bezsonova Irina . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 290 _Journal_issue 38 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 22907 _Page_last 22918 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'USP7 - ICP0 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label USP7 $USP7 ICP0 $ICP0 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_USP7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common USP7 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 244 _Mol_residue_sequence ; GMDIPQQLVERLQEEKRIEA QKRKERQEAHLYMQVQIVAE DQFCGHQGNDMYDEEKVKYT VFKVLKNSSLAEFVQSLSQT MGFPQDQIRLWPMQARSNGT KRPAMLDNEADGNKTMIELS DNENPWTIFLETVDPELAAS GATLPKFDKDHDVMLFLKMY DPKTRSLNYCGHIYTPISCK IRDLLPVMCDRAGFIQDTSL ILYEEVKPNLTERIQDYDVS LDKALDELMDGDIIVFQKDD PEND ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 533 GLY 2 534 MET 3 535 ASP 4 536 ILE 5 537 PRO 6 538 GLN 7 539 GLN 8 540 LEU 9 541 VAL 10 542 GLU 11 543 ARG 12 544 LEU 13 545 GLN 14 546 GLU 15 547 GLU 16 548 LYS 17 549 ARG 18 550 ILE 19 551 GLU 20 552 ALA 21 553 GLN 22 554 LYS 23 555 ARG 24 556 LYS 25 557 GLU 26 558 ARG 27 559 GLN 28 560 GLU 29 561 ALA 30 562 HIS 31 563 LEU 32 564 TYR 33 565 MET 34 566 GLN 35 567 VAL 36 568 GLN 37 569 ILE 38 570 VAL 39 571 ALA 40 572 GLU 41 573 ASP 42 574 GLN 43 575 PHE 44 576 CYS 45 577 GLY 46 578 HIS 47 579 GLN 48 580 GLY 49 581 ASN 50 582 ASP 51 583 MET 52 584 TYR 53 585 ASP 54 586 GLU 55 587 GLU 56 588 LYS 57 589 VAL 58 590 LYS 59 591 TYR 60 592 THR 61 593 VAL 62 594 PHE 63 595 LYS 64 596 VAL 65 597 LEU 66 598 LYS 67 599 ASN 68 600 SER 69 601 SER 70 602 LEU 71 603 ALA 72 604 GLU 73 605 PHE 74 606 VAL 75 607 GLN 76 608 SER 77 609 LEU 78 610 SER 79 611 GLN 80 612 THR 81 613 MET 82 614 GLY 83 615 PHE 84 616 PRO 85 617 GLN 86 618 ASP 87 619 GLN 88 620 ILE 89 621 ARG 90 622 LEU 91 623 TRP 92 624 PRO 93 625 MET 94 626 GLN 95 627 ALA 96 628 ARG 97 629 SER 98 630 ASN 99 631 GLY 100 632 THR 101 633 LYS 102 634 ARG 103 635 PRO 104 636 ALA 105 637 MET 106 638 LEU 107 639 ASP 108 640 ASN 109 641 GLU 110 642 ALA 111 643 ASP 112 644 GLY 113 645 ASN 114 646 LYS 115 647 THR 116 648 MET 117 649 ILE 118 650 GLU 119 651 LEU 120 652 SER 121 653 ASP 122 654 ASN 123 655 GLU 124 656 ASN 125 657 PRO 126 658 TRP 127 659 THR 128 660 ILE 129 661 PHE 130 662 LEU 131 663 GLU 132 664 THR 133 665 VAL 134 666 ASP 135 667 PRO 136 668 GLU 137 669 LEU 138 670 ALA 139 671 ALA 140 672 SER 141 673 GLY 142 674 ALA 143 675 THR 144 676 LEU 145 677 PRO 146 678 LYS 147 679 PHE 148 680 ASP 149 681 LYS 150 682 ASP 151 683 HIS 152 684 ASP 153 685 VAL 154 686 MET 155 687 LEU 156 688 PHE 157 689 LEU 158 690 LYS 159 691 MET 160 692 TYR 161 693 ASP 162 694 PRO 163 695 LYS 164 696 THR 165 697 ARG 166 698 SER 167 699 LEU 168 200 ASN 169 701 TYR 170 702 CYS 171 703 GLY 172 704 HIS 173 705 ILE 174 706 TYR 175 707 THR 176 708 PRO 177 709 ILE 178 710 SER 179 711 CYS 180 712 LYS 181 713 ILE 182 714 ARG 183 715 ASP 184 716 LEU 185 717 LEU 186 718 PRO 187 719 VAL 188 720 MET 189 721 CYS 190 722 ASP 191 723 ARG 192 724 ALA 193 725 GLY 194 726 PHE 195 727 ILE 196 728 GLN 197 729 ASP 198 730 THR 199 731 SER 200 732 LEU 201 733 ILE 202 734 LEU 203 735 TYR 204 736 GLU 205 737 GLU 206 738 VAL 207 739 LYS 208 740 PRO 209 741 ASN 210 742 LEU 211 743 THR 212 744 GLU 213 744 ARG 214 745 ILE 215 746 GLN 216 747 ASP 217 748 TYR 218 749 ASP 219 750 VAL 220 751 SER 221 752 LEU 222 753 ASP 223 754 LYS 224 755 ALA 225 756 LEU 226 757 ASP 227 758 GLU 228 759 LEU 229 760 MET 230 761 ASP 231 762 GLY 232 763 ASP 233 764 ILE 234 765 ILE 235 766 VAL 236 767 PHE 237 768 GLN 238 769 LYS 239 770 ASP 240 771 ASP 241 772 PRO 242 773 GLU 243 774 ASN 244 775 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 NCBI NP_003461.2 USP7 . . . . . stop_ save_ save_ICP0 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ICP0 _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 11 _Mol_residue_sequence ; GPRKCARKTRH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 ARG 4 LYS 5 CYS 6 ALA 7 ARG 8 LYS 9 THR 10 ARG 11 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $USP7 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 $USP7 'recombinant technology' . Escherichia coli . pET15b 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 $USP7 0.59 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' $ICP0 4.13 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version . loop_ _Vendor _Address _Electronic_address 'Vranken, Boucher, Stevens, Fogh, Pajon, Llinas, Ulrich, Markley, Ionides and Laue' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model INOVA _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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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 7.0 . pH pressure 1 . atm temperature 273 . 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D HNCACB' '3D HN(CA)CO' 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 USP7 _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 1 537 5 PRO C C 177.605 0.000 1 2 537 5 PRO CA C 63.270 0.008 1 3 537 5 PRO CB C 31.361 0.000 1 4 538 6 GLN H H 8.453 0.009 1 5 538 6 GLN C C 176.892 0.007 1 6 538 6 GLN CA C 56.837 0.057 1 7 538 6 GLN CB C 28.450 0.000 1 8 538 6 GLN N N 121.516 0.038 1 9 539 7 GLN H H 8.473 0.009 1 10 539 7 GLN C C 177.041 0.014 1 11 539 7 GLN CA C 56.745 0.007 1 12 539 7 GLN CB C 28.319 0.042 1 13 539 7 GLN N N 120.151 0.068 1 14 540 8 LEU H H 7.993 0.007 1 15 540 8 LEU C C 178.046 0.002 1 16 540 8 LEU CA C 56.135 0.004 1 17 540 8 LEU CB C 41.001 0.009 1 18 540 8 LEU N N 122.718 0.100 1 19 541 9 VAL H H 7.849 0.006 1 20 541 9 VAL C C 177.656 0.007 1 21 541 9 VAL CA C 64.193 0.050 1 22 541 9 VAL CB C 31.423 0.000 1 23 541 9 VAL N N 120.790 0.030 1 24 542 10 GLU H H 8.234 0.006 1 25 542 10 GLU C C 178.191 0.008 1 26 542 10 GLU CA C 57.891 0.015 1 27 542 10 GLU CB C 28.970 0.000 1 28 542 10 GLU N N 122.003 0.066 1 29 543 11 ARG H H 8.055 0.006 1 30 543 11 ARG C C 177.931 0.011 1 31 543 11 ARG CA C 57.668 0.011 1 32 543 11 ARG CB C 29.430 0.046 1 33 543 11 ARG N N 121.758 0.029 1 34 544 12 LEU H H 8.164 0.004 1 35 544 12 LEU C C 179.200 0.010 1 36 544 12 LEU CA C 56.643 0.048 1 37 544 12 LEU CB C 40.861 0.008 1 38 544 12 LEU N N 121.530 0.038 1 39 545 13 GLN H H 8.157 0.003 1 40 545 13 GLN C C 178.201 0.010 1 41 545 13 GLN CA C 57.452 0.088 1 42 545 13 GLN CB C 27.970 0.044 1 43 545 13 GLN N N 119.660 0.038 1 44 546 14 GLU H H 8.152 0.004 1 45 546 14 GLU C C 177.987 0.009 1 46 546 14 GLU CA C 58.066 0.005 1 47 546 14 GLU CB C 28.801 0.000 1 48 546 14 GLU N N 122.256 0.014 1 49 547 15 GLU H H 8.309 0.009 1 50 547 15 GLU C C 179.028 0.001 1 51 547 15 GLU CA C 58.640 0.012 1 52 547 15 GLU CB C 28.826 0.004 1 53 547 15 GLU N N 120.282 0.018 1 54 548 16 LYS H H 7.992 0.003 1 55 548 16 LYS C C 178.891 0.000 1 56 548 16 LYS CA C 58.019 0.026 1 57 548 16 LYS CB C 31.533 0.040 1 58 548 16 LYS N N 120.050 0.039 1 59 549 17 ARG H H 8.002 0.003 1 60 549 17 ARG C C 178.899 0.008 1 61 549 17 ARG CA C 58.582 0.017 1 62 549 17 ARG CB C 29.416 0.040 1 63 549 17 ARG N N 122.497 0.016 1 64 550 18 ILE H H 8.204 0.004 1 65 550 18 ILE C C 178.337 0.007 1 66 550 18 ILE CA C 63.483 0.019 1 67 550 18 ILE CB C 37.295 0.037 1 68 550 18 ILE N N 121.875 0.019 1 69 551 19 GLU H H 8.114 0.003 1 70 551 19 GLU C C 178.705 0.003 1 71 551 19 GLU CA C 58.486 0.033 1 72 551 19 GLU CB C 28.799 0.022 1 73 551 19 GLU N N 121.604 0.024 1 74 552 20 ALA H H 8.029 0.004 1 75 552 20 ALA C C 180.182 0.011 1 76 552 20 ALA CA C 54.358 0.008 1 77 552 20 ALA CB C 17.538 0.000 1 78 552 20 ALA N N 122.355 0.036 1 79 553 21 GLN H H 8.026 0.003 1 80 553 21 GLN C C 178.117 0.006 1 81 553 21 GLN CA C 57.747 0.026 1 82 553 21 GLN CB C 27.585 0.039 1 83 553 21 GLN N N 120.011 0.021 1 84 554 22 LYS H H 8.159 0.004 1 85 554 22 LYS C C 178.969 0.008 1 86 554 22 LYS CA C 58.348 0.111 1 87 554 22 LYS CB C 31.538 0.000 1 88 554 22 LYS N N 120.668 0.015 1 89 555 23 ARG H H 8.017 0.006 1 90 555 23 ARG C C 178.127 0.015 1 91 555 23 ARG CA C 58.355 0.000 1 92 555 23 ARG CB C 29.484 0.000 1 93 555 23 ARG N N 120.389 0.025 1 94 556 24 LYS H H 7.872 0.004 1 95 556 24 LYS C C 178.222 0.022 1 96 556 24 LYS CA C 58.305 0.000 1 97 556 24 LYS CB C 31.698 0.087 1 98 556 24 LYS N N 121.500 0.037 1 99 557 25 GLU H H 8.111 0.003 1 100 557 25 GLU C C 178.893 0.000 1 101 557 25 GLU CA C 58.154 0.023 1 102 557 25 GLU CB C 28.922 0.000 1 103 557 25 GLU N N 119.574 0.030 1 104 558 26 ARG C C 178.359 0.000 1 105 558 26 ARG CA C 57.901 0.000 1 106 558 26 ARG CB C 29.561 0.000 1 107 559 27 GLN H H 8.159 0.004 1 108 559 27 GLN C C 177.512 0.006 1 109 559 27 GLN CA C 57.266 0.003 1 110 559 27 GLN CB C 28.370 0.000 1 111 559 27 GLN N N 119.935 0.040 1 112 560 28 GLU H H 8.132 0.007 1 113 560 28 GLU C C 177.361 0.015 1 114 560 28 GLU CA C 57.007 0.082 1 115 560 28 GLU CB C 29.175 0.064 1 116 560 28 GLU N N 119.068 0.105 1 117 561 29 ALA H H 7.742 0.006 1 118 561 29 ALA C C 179.614 0.000 1 119 561 29 ALA CA C 54.657 0.000 1 120 561 29 ALA CB C 17.913 0.000 1 121 561 29 ALA N N 122.288 0.036 1 122 562 30 HIS C C 176.414 0.000 1 123 562 30 HIS CA C 57.149 0.018 1 124 562 30 HIS CB C 29.158 0.000 1 125 563 31 LEU H H 7.782 0.021 1 126 563 31 LEU C C 177.397 0.004 1 127 563 31 LEU CA C 55.432 0.043 1 128 563 31 LEU CB C 41.749 0.000 1 129 563 31 LEU N N 119.120 0.026 1 130 564 32 TYR H H 7.777 0.010 1 131 564 32 TYR C C 173.813 0.002 1 132 564 32 TYR CA C 57.831 0.010 1 133 564 32 TYR CB C 41.490 0.034 1 134 564 32 TYR N N 117.929 0.021 1 135 565 33 MET H H 9.458 0.007 1 136 565 33 MET C C 173.022 0.005 1 137 565 33 MET CA C 53.285 0.040 1 138 565 33 MET CB C 35.592 0.011 1 139 565 33 MET N N 116.176 0.030 1 140 566 34 GLN H H 8.293 0.005 1 141 566 34 GLN C C 174.774 0.005 1 142 566 34 GLN CA C 54.454 0.021 1 143 566 34 GLN CB C 30.868 0.000 1 144 566 34 GLN N N 119.933 0.063 1 145 567 35 VAL H H 9.184 0.007 1 146 567 35 VAL C C 174.939 0.006 1 147 567 35 VAL CA C 60.297 0.013 1 148 567 35 VAL CB C 33.222 0.000 1 149 567 35 VAL N N 124.822 0.007 1 150 568 36 GLN H H 9.196 0.009 1 151 568 36 GLN C C 173.280 0.009 1 152 568 36 GLN CA C 53.266 0.042 1 153 568 36 GLN CB C 28.562 0.000 1 154 568 36 GLN N N 126.352 0.035 1 155 569 37 ILE H H 9.342 0.008 1 156 569 37 ILE C C 175.502 0.003 1 157 569 37 ILE CA C 57.271 0.017 1 158 569 37 ILE N N 125.231 0.059 1 159 570 38 VAL H H 8.933 0.006 1 160 570 38 VAL C C 171.974 0.013 1 161 570 38 VAL CA C 58.342 0.010 1 162 570 38 VAL N N 127.747 0.022 1 163 571 39 ALA H H 8.198 0.005 1 164 571 39 ALA C C 177.818 0.009 1 165 571 39 ALA CA C 49.835 0.029 1 166 571 39 ALA CB C 20.323 0.000 1 167 571 39 ALA N N 130.382 0.033 1 168 572 40 GLU H H 9.205 0.009 1 169 572 40 GLU C C 177.792 0.013 1 170 572 40 GLU CA C 58.195 0.096 1 171 572 40 GLU N N 119.788 0.087 1 172 573 41 ASP H H 8.219 0.004 1 173 573 41 ASP C C 178.849 0.015 1 174 573 41 ASP CA C 56.092 0.069 1 175 573 41 ASP CB C 42.469 0.000 1 176 573 41 ASP N N 116.544 0.174 1 177 574 42 GLN H H 7.748 0.005 1 178 574 42 GLN C C 176.482 0.042 1 179 574 42 GLN CA C 55.857 0.024 1 180 574 42 GLN CB C 27.979 0.000 1 181 574 42 GLN N N 117.650 0.028 1 182 575 43 PHE H H 7.674 0.011 1 183 575 43 PHE C C 178.522 0.019 1 184 575 43 PHE CA C 54.065 0.000 1 185 575 43 PHE N N 119.876 0.099 1 186 576 44 CYS H H 7.067 0.008 1 187 576 44 CYS C C 176.151 0.000 1 188 576 44 CYS CA C 61.079 0.000 1 189 576 44 CYS N N 116.362 0.048 1 190 577 45 GLY C C 174.548 0.000 1 191 577 45 GLY CA C 45.309 0.000 1 192 578 46 HIS H H 7.142 0.004 1 193 578 46 HIS C C 176.726 0.001 1 194 578 46 HIS CA C 56.294 0.091 1 195 578 46 HIS N N 121.966 0.204 1 196 579 47 GLN H H 8.460 0.009 1 197 579 47 GLN N N 127.022 0.086 1 198 580 48 GLY C C 174.290 0.000 1 199 581 49 ASN C C 177.052 0.003 1 200 582 50 ASP H H 10.366 0.007 1 201 582 50 ASP CA C 53.840 0.000 1 202 582 50 ASP N N 121.007 0.088 1 203 585 53 ASP C C 174.571 0.000 1 204 586 54 GLU H H 9.123 0.013 1 205 586 54 GLU C C 177.264 0.012 1 206 586 54 GLU CA C 58.815 0.054 1 207 586 54 GLU CB C 33.175 0.000 1 208 586 54 GLU N N 128.078 0.053 1 209 587 55 GLU H H 8.644 0.009 1 210 587 55 GLU C C 177.255 0.016 1 211 587 55 GLU CA C 57.197 0.022 1 212 587 55 GLU CB C 29.449 0.000 1 213 587 55 GLU N N 116.144 0.141 1 214 588 56 LYS H H 7.481 0.005 1 215 588 56 LYS C C 176.439 0.004 1 216 588 56 LYS CA C 55.451 0.042 1 217 588 56 LYS CB C 33.907 0.000 1 218 588 56 LYS N N 117.456 0.080 1 219 589 57 VAL H H 7.267 0.006 1 220 589 57 VAL C C 172.377 0.006 1 221 589 57 VAL CA C 61.338 0.073 1 222 589 57 VAL CB C 31.613 0.000 1 223 589 57 VAL N N 120.395 0.055 1 224 590 58 LYS H H 7.544 0.006 1 225 590 58 LYS C C 175.179 0.021 1 226 590 58 LYS CA C 53.959 0.045 1 227 590 58 LYS CB C 32.154 0.000 1 228 590 58 LYS N N 125.818 0.157 1 229 591 59 TYR H H 8.173 0.004 1 230 591 59 TYR C C 177.844 0.035 1 231 591 59 TYR CA C 55.447 0.038 1 232 591 59 TYR CB C 40.870 0.000 1 233 591 59 TYR N N 122.068 0.075 1 234 592 60 THR H H 8.863 0.011 1 235 592 60 THR C C 173.892 0.020 1 236 592 60 THR CA C 63.353 0.015 1 237 592 60 THR CB C 68.466 0.038 1 238 592 60 THR N N 119.261 0.080 1 239 593 61 VAL H H 8.641 0.007 1 240 593 61 VAL C C 175.223 0.019 1 241 593 61 VAL CA C 61.865 0.023 1 242 593 61 VAL CB C 32.421 0.000 1 243 593 61 VAL N N 128.045 0.056 1 244 594 62 PHE H H 9.378 0.009 1 245 594 62 PHE C C 173.941 0.019 1 246 594 62 PHE CA C 56.554 0.013 1 247 594 62 PHE CB C 42.080 0.018 1 248 594 62 PHE N N 126.479 0.032 1 249 595 63 LYS H H 8.785 0.004 1 250 595 63 LYS C C 176.157 0.005 1 251 595 63 LYS CA C 55.479 0.031 1 252 595 63 LYS CB C 32.416 0.000 1 253 595 63 LYS N N 125.618 0.039 1 254 596 64 VAL H H 8.996 0.006 1 255 596 64 VAL C C 175.314 0.004 1 256 596 64 VAL CA C 59.080 0.072 1 257 596 64 VAL CB C 35.242 0.073 1 258 596 64 VAL N N 123.827 0.048 1 259 597 65 LEU H H 9.136 0.007 1 260 597 65 LEU C C 179.314 0.002 1 261 597 65 LEU CA C 55.189 0.005 1 262 597 65 LEU CB C 40.937 0.010 1 263 597 65 LEU N N 127.550 0.050 1 264 598 66 LYS H H 8.735 0.008 1 265 598 66 LYS C C 175.788 0.007 1 266 598 66 LYS CA C 60.098 0.038 1 267 598 66 LYS CB C 32.482 0.032 1 268 598 66 LYS N N 126.008 0.037 1 269 599 67 ASN H H 7.625 0.003 1 270 599 67 ASN C C 175.323 0.001 1 271 599 67 ASN CA C 52.009 0.074 1 272 599 67 ASN CB C 37.384 0.033 1 273 599 67 ASN N N 110.169 0.055 1 274 600 68 SER H H 7.445 0.004 1 275 600 68 SER C C 173.341 0.007 1 276 600 68 SER CA C 58.217 0.047 1 277 600 68 SER CB C 64.515 0.017 1 278 600 68 SER N N 115.559 0.025 1 279 601 69 SER H H 8.684 0.008 1 280 601 69 SER C C 176.446 0.000 1 281 601 69 SER CA C 57.179 0.026 1 282 601 69 SER CB C 65.822 0.001 1 283 601 69 SER N N 117.207 0.047 1 284 602 70 LEU H H 8.401 0.010 1 285 602 70 LEU C C 178.845 0.019 1 286 602 70 LEU CA C 57.523 0.041 1 287 602 70 LEU CB C 39.487 0.000 1 288 602 70 LEU N N 124.602 0.060 1 289 603 71 ALA H H 9.313 0.011 1 290 603 71 ALA C C 170.616 0.005 1 291 603 71 ALA CA C 55.120 0.012 1 292 603 71 ALA CB C 17.517 0.016 1 293 603 71 ALA N N 121.450 0.106 1 294 604 72 GLU H H 7.824 0.003 1 295 604 72 GLU C C 179.109 0.016 1 296 604 72 GLU CA C 58.864 0.037 1 297 604 72 GLU CB C 29.166 0.000 1 298 604 72 GLU N N 118.420 0.042 1 299 605 73 PHE H H 7.995 0.005 1 300 605 73 PHE C C 177.261 0.013 1 301 605 73 PHE CA C 60.746 0.037 1 302 605 73 PHE CB C 38.449 0.000 1 303 605 73 PHE N N 123.396 0.050 1 304 606 74 VAL H H 8.969 0.009 1 305 606 74 VAL C C 178.168 0.002 1 306 606 74 VAL CA C 66.728 0.121 1 307 606 74 VAL CB C 33.533 0.000 1 308 606 74 VAL N N 120.195 0.065 1 309 607 75 GLN H H 7.573 0.006 1 310 607 75 GLN C C 178.240 0.007 1 311 607 75 GLN CA C 59.103 0.014 1 312 607 75 GLN CB C 27.434 0.004 1 313 607 75 GLN N N 119.254 0.046 1 314 608 76 SER H H 7.724 0.005 1 315 608 76 SER C C 177.249 0.009 1 316 608 76 SER CA C 61.182 0.073 1 317 608 76 SER CB C 62.098 0.000 1 318 608 76 SER N N 116.708 0.034 1 319 609 77 LEU H H 8.561 0.008 1 320 609 77 LEU C C 178.821 0.016 1 321 609 77 LEU CA C 58.054 0.061 1 322 609 77 LEU CB C 40.798 0.046 1 323 609 77 LEU N N 125.303 0.058 1 324 610 78 SER H H 8.147 0.006 1 325 610 78 SER C C 177.497 0.007 1 326 610 78 SER CA C 61.317 0.073 1 327 610 78 SER CB C 62.693 0.003 1 328 610 78 SER N N 114.566 0.068 1 329 611 79 GLN H H 7.854 0.003 1 330 611 79 GLN C C 178.534 0.006 1 331 611 79 GLN CA C 58.210 0.044 1 332 611 79 GLN CB C 28.074 0.062 1 333 611 79 GLN N N 119.307 0.029 1 334 612 80 THR H H 8.296 0.012 1 335 612 80 THR C C 176.079 0.005 1 336 612 80 THR CA C 65.749 0.020 1 337 612 80 THR CB C 68.915 0.052 1 338 612 80 THR N N 114.966 0.046 1 339 613 81 MET H H 8.521 0.012 1 340 613 81 MET C C 176.491 0.005 1 341 613 81 MET CA C 56.056 0.024 1 342 613 81 MET CB C 32.566 0.000 1 343 613 81 MET N N 116.858 0.083 1 344 614 82 GLY H H 7.477 0.006 1 345 614 82 GLY C C 173.948 0.004 1 346 614 82 GLY CA C 45.978 0.045 1 347 614 82 GLY N N 106.493 0.037 1 348 615 83 PHE H H 7.066 0.008 1 349 615 83 PHE C C 173.201 0.000 1 350 615 83 PHE CA C 53.979 0.029 1 351 615 83 PHE CB C 41.136 0.000 1 352 615 83 PHE N N 117.686 0.044 1 353 616 84 PRO C C 178.025 0.000 1 354 616 84 PRO CA C 61.998 0.005 1 355 616 84 PRO CB C 31.687 0.000 1 356 617 85 GLN H H 8.731 0.008 1 357 617 85 GLN C C 176.096 0.010 1 358 617 85 GLN CA C 59.107 0.026 1 359 617 85 GLN CB C 27.961 0.078 1 360 617 85 GLN N N 121.238 0.063 1 361 618 86 ASP H H 8.219 0.008 1 362 618 86 ASP C C 176.626 0.018 1 363 618 86 ASP CA C 53.885 0.034 1 364 618 86 ASP CB C 39.273 0.000 1 365 618 86 ASP N N 113.608 0.047 1 366 619 87 GLN H H 7.823 0.005 1 367 619 87 GLN C C 173.517 0.028 1 368 619 87 GLN CA C 54.425 0.101 1 369 619 87 GLN CB C 28.762 0.000 1 370 619 87 GLN N N 117.659 0.036 1 371 620 88 ILE H H 6.843 0.005 1 372 620 88 ILE C C 174.179 0.000 1 373 620 88 ILE CA C 58.810 0.023 1 374 620 88 ILE N N 112.413 0.084 1 375 625 93 MET C C 172.828 0.000 1 376 625 93 MET CA C 55.953 0.050 1 377 625 93 MET CB C 32.834 0.000 1 378 626 94 GLN H H 8.747 0.019 1 379 626 94 GLN C C 174.417 0.045 1 380 626 94 GLN CA C 54.325 0.047 1 381 626 94 GLN CB C 42.237 0.000 1 382 626 94 GLN N N 126.557 0.093 1 383 627 95 ALA H H 8.925 0.007 1 384 627 95 ALA C C 177.872 0.009 1 385 627 95 ALA CA C 51.528 0.023 1 386 627 95 ALA CB C 18.250 0.000 1 387 627 95 ALA N N 129.450 0.119 1 388 628 96 ARG H H 8.795 0.006 1 389 628 96 ARG C C 178.691 0.000 1 390 628 96 ARG CA C 55.261 0.017 1 391 628 96 ARG CB C 32.900 0.000 1 392 628 96 ARG N N 122.908 0.095 1 393 629 97 SER C C 175.212 0.000 1 394 630 98 ASN H H 9.004 0.015 1 395 630 98 ASN C C 175.289 0.034 1 396 630 98 ASN N N 124.301 0.013 1 397 631 99 GLY H H 8.047 0.005 1 398 631 99 GLY C C 174.685 0.002 1 399 631 99 GLY CA C 45.376 0.000 1 400 631 99 GLY N N 105.291 0.090 1 401 632 100 THR H H 7.173 0.003 1 402 632 100 THR N N 109.382 0.015 1 403 637 105 MET C C 176.358 0.016 1 404 637 105 MET CA C 56.880 0.066 1 405 638 106 LEU H H 8.001 0.005 1 406 638 106 LEU C C 174.491 0.019 1 407 638 106 LEU CA C 54.529 0.033 1 408 638 106 LEU CB C 43.574 0.041 1 409 638 106 LEU N N 125.946 0.128 1 410 639 107 ASP H H 9.258 0.008 1 411 639 107 ASP C C 175.500 0.005 1 412 639 107 ASP CA C 52.449 0.023 1 413 639 107 ASP CB C 40.891 0.000 1 414 639 107 ASP N N 128.168 0.062 1 415 640 108 ASN H H 8.533 0.008 1 416 640 108 ASN C C 175.855 0.014 1 417 640 108 ASN CA C 55.447 0.035 1 418 640 108 ASN CB C 37.316 0.000 1 419 640 108 ASN N N 122.623 0.096 1 420 641 109 GLU H H 8.094 0.007 1 421 641 109 GLU C C 178.215 0.008 1 422 641 109 GLU CA C 57.964 0.067 1 423 641 109 GLU CB C 28.969 0.000 1 424 641 109 GLU N N 118.785 0.061 1 425 642 110 ALA H H 7.782 0.007 1 426 642 110 ALA C C 179.515 0.011 1 427 642 110 ALA CA C 53.769 0.028 1 428 642 110 ALA CB C 18.555 0.000 1 429 642 110 ALA N N 122.606 0.041 1 430 643 111 ASP H H 8.027 0.004 1 431 643 111 ASP C C 176.895 0.034 1 432 643 111 ASP CA C 54.471 0.033 1 433 643 111 ASP CB C 40.622 0.000 1 434 643 111 ASP N N 115.176 0.020 1 435 644 112 GLY H H 7.362 0.010 1 436 644 112 GLY C C 173.710 0.007 1 437 644 112 GLY CA C 47.467 0.112 1 438 644 112 GLY N N 106.430 0.026 1 439 645 113 ASN H H 8.296 0.009 1 440 645 113 ASN C C 176.126 0.000 1 441 645 113 ASN CA C 52.771 0.061 1 442 645 113 ASN CB C 38.197 0.000 1 443 645 113 ASN N N 114.254 0.056 1 444 646 114 LYS H H 7.738 0.006 1 445 646 114 LYS C C 175.658 0.002 1 446 646 114 LYS CA C 56.159 0.044 1 447 646 114 LYS CB C 32.839 0.065 1 448 646 114 LYS N N 122.240 0.053 1 449 647 115 THR H H 8.332 0.007 1 450 647 115 THR C C 176.091 0.003 1 451 647 115 THR CA C 60.229 0.016 1 452 647 115 THR CB C 70.613 0.000 1 453 647 115 THR N N 109.960 0.066 1 454 648 116 MET H H 8.386 0.011 1 455 648 116 MET C C 178.828 0.005 1 456 648 116 MET CA C 56.645 0.093 1 457 648 116 MET CB C 30.011 0.001 1 458 648 116 MET N N 120.310 0.026 1 459 649 117 ILE H H 8.129 0.005 1 460 649 117 ILE C C 177.156 0.014 1 461 649 117 ILE CA C 59.888 0.126 1 462 649 117 ILE CB C 37.542 0.000 1 463 649 117 ILE N N 116.814 0.020 1 464 650 118 GLU H H 7.240 0.005 1 465 650 118 GLU C C 180.378 0.014 1 466 650 118 GLU CA C 58.358 0.038 1 467 650 118 GLU CB C 28.840 0.000 1 468 650 118 GLU N N 124.221 0.043 1 469 651 119 LEU H H 8.185 0.007 1 470 651 119 LEU C C 177.998 0.000 1 471 651 119 LEU CA C 56.844 0.109 1 472 651 119 LEU CB C 41.775 0.000 1 473 651 119 LEU N N 122.599 0.005 1 474 652 120 SER H H 7.420 0.005 1 475 652 120 SER C C 175.959 0.013 1 476 652 120 SER CA C 58.113 0.018 1 477 652 120 SER CB C 62.308 0.000 1 478 652 120 SER N N 112.986 0.083 1 479 653 121 ASP H H 7.630 0.004 1 480 653 121 ASP C C 175.475 0.000 1 481 653 121 ASP CA C 54.792 0.027 1 482 653 121 ASP CB C 39.132 0.008 1 483 653 121 ASP N N 123.703 0.051 1 484 654 122 ASN H H 7.859 0.008 1 485 654 122 ASN C C 174.213 0.000 1 486 654 122 ASN CA C 54.579 0.079 1 487 654 122 ASN CB C 37.611 0.070 1 488 654 122 ASN N N 109.578 0.019 1 489 655 123 GLU H H 7.408 0.006 1 490 655 123 GLU C C 175.426 0.010 1 491 655 123 GLU CA C 56.717 0.033 1 492 655 123 GLU CB C 29.498 0.009 1 493 655 123 GLU N N 122.521 0.042 1 494 656 124 ASN H H 7.950 0.002 1 495 656 124 ASN C C 173.354 0.000 1 496 656 124 ASN CA C 50.072 0.032 1 497 656 124 ASN CB C 39.870 0.000 1 498 656 124 ASN N N 120.021 0.028 1 499 657 125 PRO C C 175.266 0.000 1 500 657 125 PRO CA C 62.573 0.083 1 501 657 125 PRO CB C 34.254 0.000 1 502 658 126 TRP H H 8.676 0.007 1 503 658 126 TRP C C 175.028 0.000 1 504 658 126 TRP CA C 53.711 0.017 1 505 658 126 TRP CB C 31.249 0.035 1 506 658 126 TRP N N 125.015 0.039 1 507 659 127 THR H H 8.902 0.006 1 508 659 127 THR C C 172.769 0.012 1 509 659 127 THR CA C 61.671 0.036 1 510 659 127 THR CB C 68.617 0.000 1 511 659 127 THR N N 126.802 0.093 1 512 660 128 ILE H H 8.934 0.010 1 513 660 128 ILE C C 174.555 0.000 1 514 660 128 ILE CA C 59.883 0.000 1 515 660 128 ILE N N 125.365 0.100 1 516 662 130 LEU C C 171.729 0.000 1 517 663 131 GLU H H 8.608 0.008 1 518 663 131 GLU C C 174.614 0.000 1 519 663 131 GLU CA C 54.334 0.002 1 520 663 131 GLU N N 129.728 0.039 1 521 664 132 THR H H 7.580 0.005 1 522 664 132 THR C C 174.685 0.018 1 523 664 132 THR CA C 58.856 0.026 1 524 664 132 THR N N 115.326 0.060 1 525 665 133 VAL H H 8.016 0.004 1 526 665 133 VAL C C 175.411 0.000 1 527 665 133 VAL CA C 61.284 0.075 1 528 665 133 VAL CB C 32.242 0.000 1 529 665 133 VAL N N 120.406 0.017 1 530 666 134 ASP H H 8.578 0.007 1 531 666 134 ASP C C 175.818 0.000 1 532 666 134 ASP CA C 52.705 0.003 1 533 666 134 ASP CB C 41.498 0.000 1 534 666 134 ASP N N 128.820 0.109 1 535 667 135 PRO C C 179.498 0.000 1 536 667 135 PRO CA C 65.176 0.066 1 537 667 135 PRO CB C 31.604 0.000 1 538 668 136 GLU H H 8.636 0.010 1 539 668 136 GLU C C 178.890 0.008 1 540 668 136 GLU CA C 58.452 0.055 1 541 668 136 GLU CB C 28.626 0.011 1 542 668 136 GLU N N 118.498 0.030 1 543 669 137 LEU H H 7.766 0.004 1 544 669 137 LEU C C 180.226 0.002 1 545 669 137 LEU CA C 55.699 0.041 1 546 669 137 LEU CB C 40.464 0.000 1 547 669 137 LEU N N 120.064 0.029 1 548 670 138 ALA H H 8.446 0.008 1 549 670 138 ALA C C 180.707 0.006 1 550 670 138 ALA CA C 54.601 0.032 1 551 670 138 ALA CB C 17.428 0.000 1 552 670 138 ALA N N 125.210 0.155 1 553 671 139 ALA H H 8.016 0.004 1 554 671 139 ALA C C 178.556 0.005 1 555 671 139 ALA CA C 53.841 0.026 1 556 671 139 ALA CB C 17.363 0.063 1 557 671 139 ALA N N 120.706 0.030 1 558 672 140 SER H H 7.548 0.004 1 559 672 140 SER C C 174.747 0.000 1 560 672 140 SER CA C 58.052 0.030 1 561 672 140 SER CB C 63.604 0.019 1 562 672 140 SER N N 112.355 0.031 1 563 673 141 GLY H H 7.872 0.003 1 564 673 141 GLY C C 174.173 0.005 1 565 673 141 GLY CA C 44.911 0.023 1 566 673 141 GLY N N 109.389 0.080 1 567 674 142 ALA H H 7.417 0.004 1 568 674 142 ALA C C 176.555 0.002 1 569 674 142 ALA CA C 52.423 0.017 1 570 674 142 ALA CB C 19.332 0.006 1 571 674 142 ALA N N 123.450 0.056 1 572 675 143 THR H H 7.914 0.005 1 573 675 143 THR C C 174.891 0.000 1 574 675 143 THR CA C 59.068 0.114 1 575 675 143 THR CB C 71.354 0.000 1 576 675 143 THR N N 110.180 0.053 1 577 676 144 LEU H H 8.290 0.010 1 578 676 144 LEU C C 175.447 0.000 1 579 676 144 LEU CA C 53.171 0.035 1 580 676 144 LEU CB C 41.109 0.000 1 581 676 144 LEU N N 123.704 0.131 1 582 679 147 PHE C C 173.728 0.000 1 583 683 151 HIS C C 173.521 0.000 1 584 684 152 ASP H H 8.354 0.010 1 585 684 152 ASP C C 173.784 0.008 1 586 684 152 ASP CA C 56.376 0.015 1 587 684 152 ASP CB C 40.338 0.000 1 588 684 152 ASP N N 122.506 0.148 1 589 685 153 VAL H H 9.274 0.013 1 590 685 153 VAL C C 171.414 0.013 1 591 685 153 VAL N N 118.485 0.037 1 592 686 154 MET H H 9.514 0.011 1 593 686 154 MET C C 175.244 0.000 1 594 686 154 MET N N 130.204 0.019 1 595 687 155 LEU H H 8.383 0.007 1 596 687 155 LEU C C 175.512 0.017 1 597 687 155 LEU CA C 52.273 0.019 1 598 687 155 LEU N N 126.193 0.105 1 599 688 156 PHE H H 8.902 0.009 1 600 688 156 PHE C C 173.970 0.002 1 601 688 156 PHE CA C 57.410 0.022 1 602 688 156 PHE CB C 41.962 0.000 1 603 688 156 PHE N N 118.511 0.105 1 604 689 157 LEU H H 8.320 0.009 1 605 689 157 LEU C C 175.894 0.000 1 606 689 157 LEU CA C 52.374 0.000 1 607 689 157 LEU N N 118.253 0.046 1 608 690 158 LYS H H 9.063 0.008 1 609 690 158 LYS C C 172.658 0.014 1 610 690 158 LYS CA C 54.406 0.098 1 611 690 158 LYS CB C 37.687 0.000 1 612 690 158 LYS N N 120.192 0.160 1 613 691 159 MET H H 8.898 0.009 1 614 691 159 MET C C 175.305 0.005 1 615 691 159 MET CA C 53.011 0.043 1 616 691 159 MET CB C 34.145 0.000 1 617 691 159 MET N N 122.348 0.060 1 618 692 160 TYR H H 8.952 0.012 1 619 692 160 TYR C C 173.045 0.030 1 620 692 160 TYR CA C 55.732 0.042 1 621 692 160 TYR CB C 39.625 0.025 1 622 692 160 TYR N N 129.493 0.094 1 623 693 161 ASP H H 7.993 0.010 1 624 693 161 ASP C C 174.513 0.000 1 625 693 161 ASP CA C 49.244 0.053 1 626 693 161 ASP CB C 42.557 0.000 1 627 693 161 ASP N N 127.909 0.079 1 628 694 162 PRO C C 177.875 0.000 1 629 694 162 PRO CA C 63.571 0.048 1 630 694 162 PRO CB C 33.016 0.000 1 631 695 163 LYS H H 7.944 0.004 1 632 695 163 LYS C C 178.357 0.002 1 633 695 163 LYS CA C 58.710 0.044 1 634 695 163 LYS CB C 31.115 0.000 1 635 695 163 LYS N N 117.667 0.020 1 636 696 164 THR H H 6.863 0.009 1 637 696 164 THR C C 174.697 0.012 1 638 696 164 THR CA C 60.751 0.018 1 639 696 164 THR CB C 69.862 0.000 1 640 696 164 THR N N 105.845 0.020 1 641 697 165 ARG H H 7.921 0.008 1 642 697 165 ARG C C 174.915 0.009 1 643 697 165 ARG CA C 56.926 0.081 1 644 697 165 ARG CB C 26.042 0.000 1 645 697 165 ARG N N 120.747 0.136 1 646 698 166 SER H H 7.267 0.005 1 647 698 166 SER C C 172.244 0.007 1 648 698 166 SER CA C 56.701 0.042 1 649 698 166 SER CB C 65.787 0.000 1 650 698 166 SER N N 111.706 0.097 1 651 699 167 LEU H H 8.610 0.018 1 652 699 167 LEU C C 176.726 0.050 1 653 699 167 LEU CA C 53.393 0.040 1 654 699 167 LEU N N 123.885 0.087 1 655 700 168 ASN H H 9.173 0.012 1 656 700 168 ASN C C 174.166 0.009 1 657 700 168 ASN CA C 52.111 0.019 1 658 700 168 ASN CB C 41.238 0.043 1 659 700 168 ASN N N 120.387 0.072 1 660 701 169 TYR H H 9.660 0.007 1 661 701 169 TYR C C 176.780 0.000 1 662 701 169 TYR CA C 60.663 0.091 1 663 701 169 TYR CB C 38.459 0.000 1 664 701 169 TYR N N 128.506 0.225 1 665 702 170 CYS H H 8.609 0.012 1 666 702 170 CYS CA C 59.246 0.021 1 667 702 170 CYS CB C 27.778 0.000 1 668 702 170 CYS N N 126.602 0.098 1 669 703 171 GLY C C 181.290 0.000 1 670 703 171 GLY CA C 45.015 0.028 1 671 704 172 HIS H H 8.514 0.008 1 672 704 172 HIS C C 173.707 0.012 1 673 704 172 HIS CA C 52.766 0.042 1 674 704 172 HIS CB C 32.177 0.076 1 675 704 172 HIS N N 112.181 0.107 1 676 705 173 ILE H H 9.018 0.008 1 677 705 173 ILE C C 173.478 0.002 1 678 705 173 ILE CA C 58.750 0.035 1 679 705 173 ILE CB C 41.846 0.000 1 680 705 173 ILE N N 116.559 0.131 1 681 706 174 TYR H H 8.354 0.013 1 682 706 174 TYR C C 176.030 0.010 1 683 706 174 TYR CA C 55.829 0.044 1 684 706 174 TYR CB C 42.013 0.000 1 685 706 174 TYR N N 120.340 0.062 1 686 707 175 THR H H 8.801 0.009 1 687 707 175 THR C C 180.979 0.000 1 688 707 175 THR CA C 57.075 0.066 1 689 707 175 THR CB C 70.376 0.000 1 690 707 175 THR N N 117.813 0.108 1 691 708 176 PRO C C 179.645 0.000 1 692 709 177 ILE H H 8.782 0.021 1 693 709 177 ILE C C 174.268 0.039 1 694 709 177 ILE N N 125.015 0.000 1 695 710 178 SER H H 7.718 0.012 1 696 710 178 SER C C 175.291 0.011 1 697 710 178 SER CA C 58.140 0.035 1 698 710 178 SER N N 107.065 0.019 1 699 711 179 CYS H H 7.269 0.005 1 700 711 179 CYS C C 172.631 0.001 1 701 711 179 CYS CA C 60.136 0.027 1 702 711 179 CYS CB C 27.458 0.000 1 703 711 179 CYS N N 122.123 0.098 1 704 712 180 LYS H H 8.546 0.008 1 705 712 180 LYS C C 177.290 0.000 1 706 712 180 LYS CA C 52.004 0.000 1 707 712 180 LYS N N 121.709 0.012 1 708 713 181 ILE H H 7.889 0.007 1 709 713 181 ILE C C 178.227 0.011 1 710 713 181 ILE CA C 62.843 0.003 1 711 713 181 ILE N N 123.439 0.108 1 712 714 182 ARG H H 8.424 0.008 1 713 714 182 ARG C C 177.857 0.018 1 714 714 182 ARG CA C 58.187 0.088 1 715 714 182 ARG CB C 28.975 0.000 1 716 714 182 ARG N N 116.295 0.114 1 717 715 183 ASP H H 7.538 0.004 1 718 715 183 ASP C C 177.274 0.035 1 719 715 183 ASP CA C 56.219 0.035 1 720 715 183 ASP CB C 40.014 0.000 1 721 715 183 ASP N N 117.625 0.103 1 722 716 184 LEU H H 7.977 0.004 1 723 716 184 LEU C C 177.058 0.004 1 724 716 184 LEU CA C 54.412 0.001 1 725 716 184 LEU N N 117.568 0.047 1 726 717 185 LEU H H 7.104 0.005 1 727 717 185 LEU C C 176.146 0.000 1 728 717 185 LEU CA C 59.051 0.052 1 729 717 185 LEU CB C 37.078 0.000 1 730 717 185 LEU N N 119.258 0.099 1 731 718 186 PRO C C 179.676 0.000 1 732 718 186 PRO CA C 65.967 0.000 1 733 719 187 VAL H H 6.997 0.010 1 734 719 187 VAL C C 177.552 0.003 1 735 719 187 VAL CA C 64.443 0.029 1 736 719 187 VAL CB C 30.872 0.000 1 737 719 187 VAL N N 117.766 0.066 1 738 720 188 MET H H 7.288 0.004 1 739 720 188 MET C C 177.030 0.006 1 740 720 188 MET CA C 59.929 0.049 1 741 720 188 MET CB C 30.003 0.000 1 742 720 188 MET N N 120.432 0.075 1 743 721 189 CYS H H 7.810 0.003 1 744 721 189 CYS C C 176.627 0.014 1 745 721 189 CYS CA C 64.676 0.018 1 746 721 189 CYS CB C 25.919 0.000 1 747 721 189 CYS N N 113.869 0.038 1 748 722 190 ASP H H 7.904 0.003 1 749 722 190 ASP C C 179.784 0.018 1 750 722 190 ASP CA C 57.254 0.000 1 751 722 190 ASP CB C 40.783 0.000 1 752 722 190 ASP N N 119.059 0.046 1 753 723 191 ARG H H 8.330 0.009 1 754 723 191 ARG C C 178.001 0.008 1 755 723 191 ARG CA C 57.281 0.028 1 756 723 191 ARG CB C 29.359 0.000 1 757 723 191 ARG N N 117.801 0.051 1 758 724 192 ALA H H 7.539 0.004 1 759 724 192 ALA C C 176.558 0.021 1 760 724 192 ALA CA C 51.653 0.053 1 761 724 192 ALA CB C 18.517 0.000 1 762 724 192 ALA N N 118.398 0.063 1 763 725 193 GLY H H 7.539 0.003 1 764 725 193 GLY C C 179.105 0.000 1 765 725 193 GLY CA C 45.434 0.076 1 766 725 193 GLY N N 106.830 0.055 1 767 726 194 PHE C C 176.584 0.000 1 768 726 194 PHE CA C 52.234 0.026 1 769 726 194 PHE CB C 38.385 0.000 1 770 727 195 ILE H H 8.307 0.005 1 771 727 195 ILE C C 177.752 0.010 1 772 727 195 ILE CA C 61.475 0.023 1 773 727 195 ILE CB C 37.470 0.035 1 774 727 195 ILE N N 120.004 0.019 1 775 728 196 GLN H H 8.568 0.005 1 776 728 196 GLN C C 175.885 0.006 1 777 728 196 GLN CA C 57.866 0.010 1 778 728 196 GLN CB C 27.914 0.000 1 779 728 196 GLN N N 124.574 0.024 1 780 729 197 ASP H H 8.572 0.007 1 781 729 197 ASP C C 175.805 0.030 1 782 729 197 ASP CA C 54.988 0.011 1 783 729 197 ASP CB C 38.841 0.002 1 784 729 197 ASP N N 116.739 0.007 1 785 730 198 THR H H 7.459 0.002 1 786 730 198 THR C C 173.557 0.001 1 787 730 198 THR CA C 64.388 0.014 1 788 730 198 THR CB C 69.204 0.052 1 789 730 198 THR N N 118.780 0.079 1 790 731 199 SER H H 8.648 0.006 1 791 731 199 SER C C 174.070 0.007 1 792 731 199 SER CA C 58.613 0.056 1 793 731 199 SER CB C 62.710 0.017 1 794 731 199 SER N N 123.720 0.030 1 795 732 200 LEU H H 8.711 0.007 1 796 732 200 LEU C C 177.660 0.000 1 797 732 200 LEU CA C 53.211 0.035 1 798 732 200 LEU CB C 46.062 0.093 1 799 732 200 LEU N N 124.847 0.018 1 800 733 201 ILE H H 9.485 0.006 1 801 733 201 ILE C C 174.280 0.020 1 802 733 201 ILE CA C 60.945 0.032 1 803 733 201 ILE CB C 38.528 0.032 1 804 733 201 ILE N N 125.312 0.024 1 805 734 202 LEU H H 7.480 0.010 1 806 734 202 LEU C C 176.160 0.043 1 807 734 202 LEU CA C 53.868 0.035 1 808 734 202 LEU CB C 45.323 0.000 1 809 734 202 LEU N N 127.471 0.054 1 810 735 203 TYR H H 9.685 0.010 1 811 735 203 TYR C C 174.634 0.000 1 812 735 203 TYR CA C 55.136 0.029 1 813 735 203 TYR CB C 42.162 0.000 1 814 735 203 TYR N N 118.529 0.049 1 815 736 204 GLU H H 9.328 0.008 1 816 736 204 GLU C C 177.443 0.012 1 817 736 204 GLU CA C 54.150 0.026 1 818 736 204 GLU CB C 31.185 0.011 1 819 736 204 GLU N N 121.144 0.059 1 820 737 205 GLU H H 8.043 0.004 1 821 737 205 GLU C C 174.441 0.013 1 822 737 205 GLU CA C 55.263 0.032 1 823 737 205 GLU CB C 27.793 0.000 1 824 737 205 GLU N N 128.639 0.079 1 825 738 206 VAL H H 8.249 0.004 1 826 738 206 VAL C C 175.754 0.000 1 827 738 206 VAL N N 117.872 0.046 1 828 743 211 THR C C 174.231 0.000 1 829 744 212 GLU H H 8.584 0.012 1 830 744 212 GLU C C 175.893 0.023 1 831 744 212 GLU CA C 54.494 0.071 1 832 744 212 GLU CB C 32.312 0.000 1 833 744 212 GLU N N 125.034 0.122 1 834 745 213 ARG H H 9.052 0.008 1 835 745 213 ARG C C 176.306 0.011 1 836 745 213 ARG CA C 56.677 0.057 1 837 745 213 ARG CB C 29.916 0.046 1 838 745 213 ARG N N 127.252 0.076 1 839 746 214 ILE H H 8.437 0.011 1 840 746 214 ILE C C 176.275 0.001 1 841 746 214 ILE CA C 60.621 0.029 1 842 746 214 ILE CB C 37.202 0.053 1 843 746 214 ILE N N 129.114 0.129 1 844 747 215 GLN H H 8.703 0.007 1 845 747 215 GLN C C 175.467 0.013 1 846 747 215 GLN CA C 57.624 0.112 1 847 747 215 GLN CB C 29.255 0.050 1 848 747 215 GLN N N 126.307 0.079 1 849 748 216 ASP H H 7.903 0.003 1 850 748 216 ASP C C 176.052 0.002 1 851 748 216 ASP CA C 52.679 0.017 1 852 748 216 ASP CB C 42.320 0.000 1 853 748 216 ASP N N 118.882 0.078 1 854 749 217 TYR H H 8.937 0.004 1 855 749 217 TYR C C 176.439 0.000 1 856 749 217 TYR CA C 54.167 0.012 1 857 749 217 TYR CB C 35.111 0.000 1 858 749 217 TYR N N 123.670 0.063 1 859 750 218 ASP H H 8.968 0.014 1 860 750 218 ASP C C 174.913 0.014 1 861 750 218 ASP CA C 54.485 0.015 1 862 750 218 ASP CB C 40.668 0.000 1 863 750 218 ASP N N 121.584 0.059 1 864 751 219 VAL H H 6.859 0.006 1 865 751 219 VAL C C 174.761 0.002 1 866 751 219 VAL CA C 58.859 0.035 1 867 751 219 VAL CB C 33.995 0.000 1 868 751 219 VAL N N 111.478 0.044 1 869 752 220 SER H H 8.106 0.005 1 870 752 220 SER C C 177.034 0.000 1 871 752 220 SER CA C 57.882 0.020 1 872 752 220 SER CB C 63.327 0.000 1 873 752 220 SER N N 115.558 0.103 1 874 754 222 ASP H H 8.410 0.007 1 875 754 222 ASP C C 176.458 0.000 1 876 754 222 ASP N N 111.931 0.000 1 877 755 223 LYS H H 7.350 0.007 1 878 755 223 LYS C C 177.069 0.001 1 879 755 223 LYS CA C 55.711 0.045 1 880 755 223 LYS N N 118.751 0.030 1 881 756 224 ALA H H 7.820 0.005 1 882 756 224 ALA C C 177.326 0.003 1 883 756 224 ALA CA C 53.053 0.095 1 884 756 224 ALA CB C 18.321 0.000 1 885 756 224 ALA N N 122.353 0.074 1 886 757 225 LEU H H 7.275 0.003 1 887 757 225 LEU C C 177.033 0.009 1 888 757 225 LEU CA C 54.048 0.064 1 889 757 225 LEU CB C 39.087 0.000 1 890 757 225 LEU N N 119.423 0.084 1 891 758 226 ASP H H 9.994 0.000 1 892 758 226 ASP C C 177.073 0.000 1 893 758 226 ASP N N 124.698 0.050 1 894 767 235 VAL C C 175.191 0.000 1 895 768 236 PHE H H 9.100 0.010 1 896 768 236 PHE C C 173.367 0.018 1 897 768 236 PHE CA C 54.131 0.089 1 898 768 236 PHE CB C 43.188 0.000 1 899 768 236 PHE N N 122.373 0.091 1 900 769 237 GLN H H 8.958 0.009 1 901 769 237 GLN C C 174.868 0.017 1 902 769 237 GLN CA C 53.187 0.035 1 903 769 237 GLN CB C 33.380 0.000 1 904 769 237 GLN N N 118.029 0.066 1 905 770 238 LYS H H 9.461 0.009 1 906 770 238 LYS C C 176.384 0.005 1 907 770 238 LYS CA C 57.537 0.036 1 908 770 238 LYS CB C 31.869 0.009 1 909 770 238 LYS N N 125.312 0.149 1 910 771 239 ASP H H 8.393 0.005 1 911 771 239 ASP C C 174.770 0.009 1 912 771 239 ASP CA C 53.175 0.026 1 913 771 239 ASP CB C 40.758 0.037 1 914 771 239 ASP N N 125.982 0.044 1 915 772 240 ASP H H 8.127 0.003 1 916 772 240 ASP C C 174.205 0.000 1 917 772 240 ASP CA C 51.646 0.019 1 918 772 240 ASP CB C 41.528 0.000 1 919 772 240 ASP N N 124.333 0.017 1 920 773 241 PRO C C 177.400 0.000 1 921 773 241 PRO CA C 63.194 0.008 1 922 773 241 PRO CB C 31.444 0.000 1 923 774 242 GLU H H 8.396 0.006 1 924 774 242 GLU C C 176.395 0.003 1 925 774 242 GLU CA C 56.548 0.012 1 926 774 242 GLU CB C 29.177 0.021 1 927 774 242 GLU N N 119.651 0.015 1 928 775 243 ASN H H 8.027 0.004 1 929 775 243 ASN C C 173.983 0.002 1 930 775 243 ASN CA C 52.929 0.007 1 931 775 243 ASN CB C 39.402 0.000 1 932 775 243 ASN N N 119.168 0.022 1 933 776 244 ASP H H 7.869 0.002 1 934 776 244 ASP C C 180.967 0.000 1 935 776 244 ASP CA C 55.768 0.014 1 936 776 244 ASP CB C 41.586 0.000 1 937 776 244 ASP N N 126.653 0.014 1 stop_ save_