data_30093 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of foldswitch-stablized KaiB in complex with pseudo receiver domain of CikA from Thermosynechococcus elongatus ; _BMRB_accession_number 30093 _BMRB_flat_file_name bmr30093.str _Entry_type original _Submission_date 2016-05-15 _Accession_date 2016-05-15 _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 Tseng Roger D. . 2 Wang Andy L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 spectral_peak_list 8 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1179 "13C chemical shifts" 932 "15N chemical shifts" 200 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-23 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 30091 'Circadian clock protein KaiB' 30092 'pseudo receiver domain of CikA' stop_ _Original_release_date 2016-05-25 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of foldswitch-stablized KaiB in complex with pseudo receiver domain of CikA from Thermosynechococcus elongatus ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tseng Roger D. . 2 Wang Andy L. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Two-component sensor histidine kinase, Circadian clock protein KaiB' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Two-component sensor histidine kinase' _Molecular_mass 12899.736 _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; EGRIVLVSEDEATSTLICSI LTTAGYQVIWLVDGEVERLL ALTPIAVLLAEPFSYGDVQE LVDQLRQRCTPEQLKIFILG SKGNYQGVDRYIPLPIHPES FLQQVTMGLTSLATSAQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 613 GLU 2 614 GLY 3 615 ARG 4 616 ILE 5 617 VAL 6 618 LEU 7 619 VAL 8 620 SER 9 621 GLU 10 622 ASP 11 623 GLU 12 624 ALA 13 625 THR 14 626 SER 15 627 THR 16 628 LEU 17 629 ILE 18 630 CYS 19 631 SER 20 632 ILE 21 633 LEU 22 634 THR 23 635 THR 24 636 ALA 25 637 GLY 26 638 TYR 27 639 GLN 28 640 VAL 29 641 ILE 30 642 TRP 31 643 LEU 32 644 VAL 33 645 ASP 34 646 GLY 35 647 GLU 36 648 VAL 37 649 GLU 38 650 ARG 39 651 LEU 40 652 LEU 41 653 ALA 42 654 LEU 43 655 THR 44 656 PRO 45 657 ILE 46 658 ALA 47 659 VAL 48 660 LEU 49 661 LEU 50 662 ALA 51 663 GLU 52 664 PRO 53 665 PHE 54 666 SER 55 667 TYR 56 668 GLY 57 669 ASP 58 670 VAL 59 671 GLN 60 672 GLU 61 673 LEU 62 674 VAL 63 675 ASP 64 676 GLN 65 677 LEU 66 678 ARG 67 679 GLN 68 680 ARG 69 681 CYS 70 682 THR 71 683 PRO 72 684 GLU 73 685 GLN 74 686 LEU 75 687 LYS 76 688 ILE 77 689 PHE 78 690 ILE 79 691 LEU 80 692 GLY 81 693 SER 82 694 LYS 83 695 GLY 84 696 ASN 85 697 TYR 86 698 GLN 87 699 GLY 88 700 VAL 89 701 ASP 90 702 ARG 91 703 TYR 92 704 ILE 93 705 PRO 94 706 LEU 95 707 PRO 96 708 ILE 97 709 HIS 98 710 PRO 99 711 GLU 100 712 SER 101 713 PHE 102 714 LEU 103 715 GLN 104 716 GLN 105 717 VAL 106 718 THR 107 719 MET 108 720 GLY 109 721 LEU 110 722 THR 111 723 SER 112 724 LEU 113 725 ALA 114 726 THR 115 727 SER 116 728 ALA 117 729 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Circadian clock protein KaiB' _Molecular_mass 11779.870 _Mol_thiol_state 'not present' _Details . _Residue_count 106 _Mol_residue_sequence ; MAPLRKTAVLKLYVAGNTPN SVRALKTLANILEKEFKGVY ALKVIDVLKNPQLAEEDKIL ATPTLAKVLPPPVRRIIGDL SNREKVLIALRLLAEEIGDY KDDDDK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ALA 3 3 PRO 4 4 LEU 5 5 ARG 6 6 LYS 7 7 THR 8 8 ALA 9 9 VAL 10 10 LEU 11 11 LYS 12 12 LEU 13 13 TYR 14 14 VAL 15 15 ALA 16 16 GLY 17 17 ASN 18 18 THR 19 19 PRO 20 20 ASN 21 21 SER 22 22 VAL 23 23 ARG 24 24 ALA 25 25 LEU 26 26 LYS 27 27 THR 28 28 LEU 29 29 ALA 30 30 ASN 31 31 ILE 32 32 LEU 33 33 GLU 34 34 LYS 35 35 GLU 36 36 PHE 37 37 LYS 38 38 GLY 39 39 VAL 40 40 TYR 41 41 ALA 42 42 LEU 43 43 LYS 44 44 VAL 45 45 ILE 46 46 ASP 47 47 VAL 48 48 LEU 49 49 LYS 50 50 ASN 51 51 PRO 52 52 GLN 53 53 LEU 54 54 ALA 55 55 GLU 56 56 GLU 57 57 ASP 58 58 LYS 59 59 ILE 60 60 LEU 61 61 ALA 62 62 THR 63 63 PRO 64 64 THR 65 65 LEU 66 66 ALA 67 67 LYS 68 68 VAL 69 69 LEU 70 70 PRO 71 71 PRO 72 72 PRO 73 73 VAL 74 74 ARG 75 75 ARG 76 76 ILE 77 77 ILE 78 78 GLY 79 79 ASP 80 80 LEU 81 81 SER 82 82 ASN 83 83 ARG 84 84 GLU 85 85 LYS 86 86 VAL 87 87 LEU 88 88 ILE 89 89 ALA 90 90 LEU 91 91 ARG 92 92 LEU 93 93 LEU 94 94 ALA 95 95 GLU 96 96 GLU 97 97 ILE 98 98 GLY 99 99 ASP 100 100 TYR 101 101 LYS 102 102 ASP 103 103 ASP 104 104 ASP 105 105 ASP 106 106 LYS 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 _Strain _Gene_mnemonic $entity_1 cyanobacteria 197221 Bacteria . Thermosynechococcus elongatus BP-1 tll0899 $entity_2 cyanobacteria 197221 Bacteria . Thermosynechococcus elongatus BP-1 'kaiB, tlr0482' 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 $entity_1 'recombinant technology' . . . . . $entity_2 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 880 uM 'natural abundance' $entity_1 800 uM '[U-99% 13C; U-99% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_10 _Saveframe_category sample _Sample_type 'gel solution' _Details '400 uM [U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 440 uM 'natural abundance' $entity_1 400 uM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_11 _Saveframe_category sample _Sample_type 'gel solution' _Details '400 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 400 uM '[U-99% 13C; U-99% 15N]' $entity_1 440 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_12 _Saveframe_category sample _Sample_type 'gel solution' _Details '700 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 770 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 700 uM '[U-99% 13C; U-99% 15N]' $entity_1 770 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_13 _Saveframe_category sample _Sample_type 'gel solution' _Details '400 uM [U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 400 uM '[U-99% 15N]' $entity_1 440 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_14 _Saveframe_category sample _Sample_type 'gel solution' _Details '400 uM [U-99% 15N] KaiB mutant-N29A, 440 uM unlabeled pseudo receiver domain of CikA, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 400 uM '[U-99% 15N]' $entity_1 440 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_15 _Saveframe_category sample _Sample_type solution _Details '800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 880 uM 'natural abundance' $entity_1 800 uM '[U-99% 13C; U-99% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_16 _Saveframe_category sample _Sample_type solution _Details '800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 800 uM '[U-99% 13C; U-99% 15N]' $entity_1 880 uM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '800 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 880 uM unlabeled KaiB mutant-N29A, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 880 uM 'natural abundance' $entity_1 800 uM '[U-99% 13C; U-99% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 800 uM '[U-99% 13C; U-99% 15N]' $entity_1 880 uM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '800 uM [U-99% 13C; U-99% 15N] KaiB mutant-N29A, 880 uM unlabeled pseudo receiver domain of CikA, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 800 uM '[U-99% 13C; U-99% 15N]' $entity_1 880 uM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '800 uM [U-100% 15N] pseudo receiver domain of CikA, 880 uM [U-100% 13C] KaiB mutant-N29A, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 880 uM '[U-100% 13C]' $entity_1 800 uM '[U-100% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details '800 uM [U-100% 15N] KaiB mutant-N29A, 880 uM [U-100% 13C] pseudo receiver domain of CikA, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 800 uM '[U-100% 15N]' $entity_1 880 uM '[U-100% 13C]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type 'gel solution' _Details '400 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 440 uM 'natural abundance' $entity_1 400 uM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type 'gel solution' _Details '650 uM [U-99% 13C; U-99% 15N] pseudo receiver domain of CikA, 715 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 715 uM 'natural abundance' $entity_1 650 uM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type 'gel solution' _Details '400 uM [U-99% 15N] pseudo receiver domain of CikA, 440 uM unlabeled KaiB mutant-N29A, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 440 uM 'natural abundance' $entity_1 400 uM '[U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name MARS _Version . loop_ _Vendor _Address _Electronic_address ; robust automatic backbone assignment of proteins Journal of Biomolecular NMR, 2004, Volume 30, Number 1, Page 11 Young-Sang Jung, Markus Zweckstetter ; . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _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_software_3 _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name XIPP _Version . loop_ _Vendor _Address _Electronic_address ; Garrett DS, Powers R, Gronenborn AM, Clore GM. J Magn Reson. 2011 Dec;213(2):357-63. doi: 10.1016/j.jmr.2011.09.007. A common sense approach to peak picking in two-, three-, and four-dimensional spectra using automatic computer analysis of contour diagrams http://spin.niddk.nih.gov/dgarrett/Xipp/xipp.html ; . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _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(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_15N,_13C_edited_4D_NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N, 13C edited 4D NOESY-HSQC' _Sample_label $sample_5 save_ save_2D_IPAP-1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-1H-15N HSQC' _Sample_label $sample_10 save_ save_2D_IPAP-1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-1H-15N HSQC' _Sample_label $sample_9 save_ save_3D_IPAP-HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D IPAP-HNCO' _Sample_label $sample_8 save_ save_3D_IPAP-HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D IPAP-HNCO' _Sample_label $sample_7 save_ save_3D_IPAP-HNCO(CA)_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D IPAP-HNCO(CA)' _Sample_label $sample_8 save_ save_3D_IPAP-HNCO(CA)_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D IPAP-HNCO(CA)' _Sample_label $sample_7 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_13C_edited_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C edited 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_15N_edited_1H-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N edited 1H-15N NOESY' _Sample_label $sample_1 save_ save_13C-edited,_12C-filtered_3D_NOESY-HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited, 12C-filtered 3D NOESY-HSQC' _Sample_label $sample_16 save_ save_15N,_13C_edited_4D_NOESY-HSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '15N, 13C edited 4D NOESY-HSQC' _Sample_label $sample_6 save_ save_2D_IPAP-1H-15N_HSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-1H-15N HSQC' _Sample_label $sample_14 save_ save_2D_IPAP-1H-15N_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP-1H-15N HSQC' _Sample_label $sample_13 save_ save_3D_IPAP-HNCO_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D IPAP-HNCO' _Sample_label $sample_12 save_ save_3D_IPAP-HNCO_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D IPAP-HNCO' _Sample_label $sample_11 save_ save_3D_IPAP-HNCO(CA)_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D IPAP-HNCO(CA)' _Sample_label $sample_12 save_ save_3D_IPAP-HNCO(CA)_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D IPAP-HNCO(CA)' _Sample_label $sample_11 save_ save_3D_HCA(CO)N_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCA(CO)N' _Sample_label $sample_4 save_ save_3D_HCAN_26 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCAN' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_27 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_HCCH-COSY_28 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_4 save_ save_3D_13C_edited_1H-13C_NOESY_29 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C edited 1H-13C NOESY' _Sample_label $sample_4 save_ save_3D_15N_edited_1H-15N_NOESY_30 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N edited 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_31 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_32 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_3D_HNCO_33 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CO)CACB_34 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_3 save_ save_3D_HNCACB_35 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_13C-edited,_12C-filtered_3D_NOESY-HSQC_36 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited, 12C-filtered 3D NOESY-HSQC' _Sample_label $sample_15 save_ save_2D_1H-15N_HSQC_37 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_38 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_39 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_40 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 . mM pH 7 . pH pressure 1 . atm temperature 323 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 H 1 'methyl protons' MHz 601.1301006 internal indirect . . . 1 stop_ save_ save_chem_shift_reference_2 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' MHz 601.1301153 internal indirect . . . 1 stop_ save_ save_chem_shift_reference_3 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' MHz 601.1301008 internal indirect . . . 1 stop_ save_ save_chem_shift_reference_4 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' MHz 601.1301159 internal indirect . . . 1 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_3 $software_5 stop_ loop_ _Experiment_label '3D HNCACB' '3D HN(CO)CACB' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '15N, 13C edited 4D NOESY-HSQC' '3D 15N edited 1H-15N NOESY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 $sample_5 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 613 1 GLU CA C 64.9636 . . 2 614 2 GLY HA2 H 3.99 . . 3 614 2 GLY HA3 H 4.5571 . . 4 614 2 GLY C C 172.2986 . . 5 614 2 GLY CA C 44.6132 . . 6 615 3 ARG H H 8.4652 . . 7 615 3 ARG HA H 5.3271 . . 8 615 3 ARG HB2 H 1.6449 . . 9 615 3 ARG HB3 H 2.0461 . . 10 615 3 ARG HG2 H 1.3937 . . 11 615 3 ARG HG3 H 1.7819 . . 12 615 3 ARG HD2 H 3.0519 . . 13 615 3 ARG HD3 H 3.2492 . . 14 615 3 ARG C C 174.7959 . . 15 615 3 ARG CA C 55.5293 . . 16 615 3 ARG CB C 32.2675 . . 17 615 3 ARG CG C 27.2872 . . 18 615 3 ARG CD C 44.424 . . 19 615 3 ARG N N 120.9123 . . 20 616 4 ILE H H 9.1684 . . 21 616 4 ILE HA H 4.6624 . . 22 616 4 ILE HB H 1.5264 . . 23 616 4 ILE HG12 H 0.916 . . 24 616 4 ILE HG13 H 1.2993 . . 25 616 4 ILE HG2 H 0.5857 . . 26 616 4 ILE HD1 H 0.1296 . . 27 616 4 ILE C C 174.7982 . . 28 616 4 ILE CA C 59.4673 . . 29 616 4 ILE CB C 41.0763 . . 30 616 4 ILE CG1 C 27.9209 . . 31 616 4 ILE CG2 C 17.0822 . . 32 616 4 ILE CD1 C 12.5657 . . 33 616 4 ILE N N 125.5396 . . 34 617 5 VAL H H 8.1183 . . 35 617 5 VAL HA H 5.4081 . . 36 617 5 VAL HB H 1.8376 . . 37 617 5 VAL HG1 H 0.996 . . 38 617 5 VAL HG2 H 0.9724 . . 39 617 5 VAL C C 173.3745 . . 40 617 5 VAL CA C 59.8692 . . 41 617 5 VAL CB C 34.0969 . . 42 617 5 VAL CG1 C 22.6155 . . 43 617 5 VAL CG2 C 22.1812 . . 44 617 5 VAL N N 125.0467 . . 45 618 6 LEU H H 9.1626 . . 46 618 6 LEU HA H 5.1743 . . 47 618 6 LEU HB2 H 1.0321 . . 48 618 6 LEU HB3 H 1.6464 . . 49 618 6 LEU HG H 1.2182 . . 50 618 6 LEU HD1 H 0.2495 . . 51 618 6 LEU HD2 H 0.7387 . . 52 618 6 LEU C C 174.1042 . . 53 618 6 LEU CA C 52.8107 . . 54 618 6 LEU CB C 46.5758 . . 55 618 6 LEU CG C 27.7636 . . 56 618 6 LEU CD1 C 26.0379 . . 57 618 6 LEU CD2 C 23.9823 . . 58 618 6 LEU N N 131.3097 . . 59 619 7 VAL H H 9.0411 . . 60 619 7 VAL HA H 5.0685 . . 61 619 7 VAL HB H 1.9188 . . 62 619 7 VAL HG1 H -0.013 . . 63 619 7 VAL HG2 H 0.6455 . . 64 619 7 VAL C C 174.7661 . . 65 619 7 VAL CA C 60.8781 . . 66 619 7 VAL CB C 31.764 . . 67 619 7 VAL CG1 C 20.2338 . . 68 619 7 VAL CG2 C 21.0316 . . 69 619 7 VAL N N 128.1782 . . 70 620 8 SER H H 7.8906 . . 71 620 8 SER HA H 4.7765 . . 72 620 8 SER HB2 H 3.3807 . . 73 620 8 SER HB3 H 3.8713 . . 74 620 8 SER C C 174.5706 . . 75 620 8 SER CA C 57.2719 . . 76 620 8 SER CB C 64.088 . . 77 620 8 SER N N 114.9078 . . 78 621 9 GLU H H 9.269 . . 79 621 9 GLU HA H 4.8986 . . 80 621 9 GLU HB2 H 2.1022 . . 81 621 9 GLU HB3 H 2.3746 . . 82 621 9 GLU HG2 H 2.4365 . . 83 621 9 GLU HG3 H 2.4365 . . 84 621 9 GLU C C 176.4189 . . 85 621 9 GLU CA C 56.1751 . . 86 621 9 GLU CB C 31.4415 . . 87 621 9 GLU CG C 36.9878 . . 88 621 9 GLU N N 124.176 . . 89 622 10 ASP H H 8.4341 . . 90 622 10 ASP HA H 4.7422 . . 91 622 10 ASP HB2 H 2.6595 . . 92 622 10 ASP HB3 H 2.8589 . . 93 622 10 ASP C C 177.4186 . . 94 622 10 ASP CA C 53.7415 . . 95 622 10 ASP CB C 41.5482 . . 96 622 10 ASP N N 120.8187 . . 97 623 11 GLU H H 9.0591 . . 98 623 11 GLU HA H 4.1553 . . 99 623 11 GLU HB2 H 2.2456 . . 100 623 11 GLU HB3 H 2.2456 . . 101 623 11 GLU HG2 H 2.3499 . . 102 623 11 GLU HG3 H 2.4813 . . 103 623 11 GLU C C 178.2422 . . 104 623 11 GLU CA C 60.4183 . . 105 623 11 GLU CB C 30.2316 . . 106 623 11 GLU CG C 36.362 . . 107 623 11 GLU N N 130.5687 . . 108 624 12 ALA H H 8.5345 . . 109 624 12 ALA HA H 4.1044 . . 110 624 12 ALA HB H 1.4965 . . 111 624 12 ALA C C 180.9101 . . 112 624 12 ALA CA C 55.7156 . . 113 624 12 ALA CB C 18.1848 . . 114 624 12 ALA N N 123.8287 . . 115 625 13 THR H H 8.0501 . . 116 625 13 THR HA H 3.7141 . . 117 625 13 THR HB H 3.7031 . . 118 625 13 THR HG2 H 1.0386 . . 119 625 13 THR C C 176.6738 . . 120 625 13 THR CA C 65.8027 . . 121 625 13 THR CB C 68.0698 . . 122 625 13 THR CG2 C 22.066 . . 123 625 13 THR N N 114.8366 . . 124 626 14 SER H H 7.5732 . . 125 626 14 SER HA H 3.3697 . . 126 626 14 SER HB2 H 1.172 . . 127 626 14 SER HB3 H 2.693 . . 128 626 14 SER C C 175.765 . . 129 626 14 SER CA C 62.8099 . . 130 626 14 SER CB C 61.1724 . . 131 626 14 SER N N 116.1395 . . 132 627 15 THR H H 7.9167 . . 133 627 15 THR HA H 3.4744 . . 134 627 15 THR HB H 4.1382 . . 135 627 15 THR HG2 H 1.2333 . . 136 627 15 THR C C 176.3725 . . 137 627 15 THR CA C 67.3979 . . 138 627 15 THR CB C 68.2862 . . 139 627 15 THR CG2 C 21.5384 . . 140 627 15 THR N N 117.3646 . . 141 628 16 LEU H H 6.8984 . . 142 628 16 LEU HA H 4.1058 . . 143 628 16 LEU HB2 H 1.5593 . . 144 628 16 LEU HB3 H 1.7818 . . 145 628 16 LEU HG H 1.3505 . . 146 628 16 LEU HD1 H 0.8642 . . 147 628 16 LEU HD2 H 0.7581 . . 148 628 16 LEU C C 178.3151 . . 149 628 16 LEU CA C 58.2246 . . 150 628 16 LEU CB C 41.4358 . . 151 628 16 LEU CG C 26.8791 . . 152 628 16 LEU CD1 C 23.2288 . . 153 628 16 LEU CD2 C 25.5916 . . 154 628 16 LEU N N 123.807 . . 155 629 17 ILE H H 7.9055 . . 156 629 17 ILE HA H 3.1028 . . 157 629 17 ILE HB H 1.597 . . 158 629 17 ILE HG12 H 0.1676 . . 159 629 17 ILE HG13 H 1.3912 . . 160 629 17 ILE HG2 H 0.7264 . . 161 629 17 ILE HD1 H 0.4035 . . 162 629 17 ILE C C 178.0056 . . 163 629 17 ILE CA C 66.3912 . . 164 629 17 ILE CB C 37.4356 . . 165 629 17 ILE CG1 C 28.728 . . 166 629 17 ILE CG2 C 17.6699 . . 167 629 17 ILE CD1 C 14.8015 . . 168 629 17 ILE N N 119.1557 . . 169 630 18 CYS H H 8.4371 . . 170 630 18 CYS HA H 3.8974 . . 171 630 18 CYS HB2 H 2.3464 . . 172 630 18 CYS HB3 H 3.1489 . . 173 630 18 CYS C C 177.7369 . . 174 630 18 CYS CA C 45.1001 . . 175 630 18 CYS CB C 46.4169 . . 176 630 18 CYS N N 115.3748 . . 177 631 19 SER H H 7.912 . . 178 631 19 SER HA H 4.4194 . . 179 631 19 SER HB2 H 4.0647 . . 180 631 19 SER HB3 H 4.0647 . . 181 631 19 SER C C 176.6251 . . 182 631 19 SER CA C 61.8122 . . 183 631 19 SER CB C 62.8858 . . 184 631 19 SER N N 117.8775 . . 185 632 20 ILE H H 8.4031 . . 186 632 20 ILE HA H 3.7234 . . 187 632 20 ILE HB H 1.7598 . . 188 632 20 ILE HG12 H 1.1009 . . 189 632 20 ILE HG13 H 1.8665 . . 190 632 20 ILE HG2 H 1.0912 . . 191 632 20 ILE HD1 H 0.7018 . . 192 632 20 ILE C C 178.7134 . . 193 632 20 ILE CA C 65.4103 . . 194 632 20 ILE CB C 39.286 . . 195 632 20 ILE CG1 C 28.794 . . 196 632 20 ILE CG2 C 17.9758 . . 197 632 20 ILE CD1 C 14.8021 . . 198 632 20 ILE N N 122.3372 . . 199 633 21 LEU H H 8.3026 . . 200 633 21 LEU HA H 4.2425 . . 201 633 21 LEU HB2 H 1.1955 . . 202 633 21 LEU HB3 H 1.9269 . . 203 633 21 LEU HG H 1.932 . . 204 633 21 LEU HD1 H 0.5766 . . 205 633 21 LEU HD2 H 0.7061 . . 206 633 21 LEU C C 178.5133 . . 207 633 21 LEU CA C 57.6235 . . 208 633 21 LEU CB C 41.5712 . . 209 633 21 LEU CG C 27.0629 . . 210 633 21 LEU CD1 C 21.9309 . . 211 633 21 LEU CD2 C 26.3927 . . 212 633 21 LEU N N 115.4776 . . 213 634 22 THR H H 8.0333 . . 214 634 22 THR HA H 4.6979 . . 215 634 22 THR HB H 4.2799 . . 216 634 22 THR HG2 H 1.15 . . 217 634 22 THR C C 178.5939 . . 218 634 22 THR CA C 66.9153 . . 219 634 22 THR CB C 68.3804 . . 220 634 22 THR CG2 C 20.9016 . . 221 634 22 THR N N 117.116 . . 222 635 23 THR H H 7.8961 . . 223 635 23 THR HA H 4.0252 . . 224 635 23 THR HB H 4.3525 . . 225 635 23 THR HG2 H 1.3131 . . 226 635 23 THR C C 175.3073 . . 227 635 23 THR CA C 66.4652 . . 228 635 23 THR CB C 68.7193 . . 229 635 23 THR CG2 C 21.8451 . . 230 635 23 THR N N 117.7212 . . 231 636 24 ALA H H 7.2115 . . 232 636 24 ALA HA H 4.4111 . . 233 636 24 ALA HB H 1.6929 . . 234 636 24 ALA C C 176.9318 . . 235 636 24 ALA CA C 52.3792 . . 236 636 24 ALA CB C 19.9979 . . 237 636 24 ALA N N 120.7123 . . 238 637 25 GLY H H 7.7644 . . 239 637 25 GLY HA2 H 3.5421 . . 240 637 25 GLY HA3 H 4.1439 . . 241 637 25 GLY C C 174.3842 . . 242 637 25 GLY CA C 45.4158 . . 243 637 25 GLY N N 111.5966 . . 244 638 26 TYR H H 7.7873 . . 245 638 26 TYR HA H 4.6358 . . 246 638 26 TYR HB2 H 2.4064 . . 247 638 26 TYR HB3 H 2.9086 . . 248 638 26 TYR C C 174.686 . . 249 638 26 TYR CA C 58.0745 . . 250 638 26 TYR CB C 38.8032 . . 251 638 26 TYR N N 118.7968 . . 252 639 27 GLN H H 8.4196 . . 253 639 27 GLN HA H 4.9918 . . 254 639 27 GLN HB2 H 1.9855 . . 255 639 27 GLN HB3 H 2.2279 . . 256 639 27 GLN C C 174.4974 . . 257 639 27 GLN CA C 53.8246 . . 258 639 27 GLN CB C 30.0616 . . 259 639 27 GLN N N 120.2708 . . 260 640 28 VAL H H 9.9678 . . 261 640 28 VAL HA H 5.0822 . . 262 640 28 VAL HB H 2.0053 . . 263 640 28 VAL HG1 H 0.9892 . . 264 640 28 VAL HG2 H 0.9271 . . 265 640 28 VAL C C 176.3475 . . 266 640 28 VAL CA C 61.4589 . . 267 640 28 VAL CB C 33.2744 . . 268 640 28 VAL CG1 C 22.7414 . . 269 640 28 VAL CG2 C 24.0898 . . 270 640 28 VAL N N 129.1297 . . 271 641 29 ILE H H 8.739 . . 272 641 29 ILE HA H 5.1332 . . 273 641 29 ILE HB H 1.9036 . . 274 641 29 ILE HG12 H 1.325 . . 275 641 29 ILE HG13 H 1.5491 . . 276 641 29 ILE HG2 H 0.8829 . . 277 641 29 ILE HD1 H 0.8936 . . 278 641 29 ILE C C 173.1221 . . 279 641 29 ILE CA C 60.3627 . . 280 641 29 ILE CB C 39.6136 . . 281 641 29 ILE CG1 C 29.0246 . . 282 641 29 ILE CG2 C 19.7725 . . 283 641 29 ILE CD1 C 14.8801 . . 284 641 29 ILE N N 128.8637 . . 285 642 30 TRP H H 10.0632 . . 286 642 30 TRP HA H 5.9124 . . 287 642 30 TRP HB2 H 2.7249 . . 288 642 30 TRP HB3 H 3.1905 . . 289 642 30 TRP HE1 H 10.3548 . . 290 642 30 TRP C C 173.5419 . . 291 642 30 TRP CA C 53.1878 . . 292 642 30 TRP CB C 31.1445 . . 293 642 30 TRP N N 131.9854 . . 294 642 30 TRP NE1 N 130.5007 . . 295 643 31 LEU H H 9.8456 . . 296 643 31 LEU HA H 4.7975 . . 297 643 31 LEU HB2 H 1.7244 . . 298 643 31 LEU HB3 H 2.0011 . . 299 643 31 LEU HG H 1.7519 . . 300 643 31 LEU HD1 H 0.8088 . . 301 643 31 LEU HD2 H 0.8497 . . 302 643 31 LEU C C 175.29 . . 303 643 31 LEU CA C 53.3369 . . 304 643 31 LEU CB C 43.4925 . . 305 643 31 LEU CG C 27.6887 . . 306 643 31 LEU CD1 C 23.89 . . 307 643 31 LEU CD2 C 26.0324 . . 308 643 31 LEU N N 126.8612 . . 309 644 32 VAL H H 7.6237 . . 310 644 32 VAL HA H 4.5209 . . 311 644 32 VAL HB H 2.3613 . . 312 644 32 VAL HG1 H 0.7685 . . 313 644 32 VAL HG2 H 0.7227 . . 314 644 32 VAL C C 174.3535 . . 315 644 32 VAL CA C 60.6103 . . 316 644 32 VAL CB C 31.7468 . . 317 644 32 VAL CG1 C 19.8537 . . 318 644 32 VAL CG2 C 21.8128 . . 319 644 32 VAL N N 111.9287 . . 320 645 33 ASP H H 7.3045 . . 321 645 33 ASP HA H 4.7442 . . 322 645 33 ASP HB2 H 2.583 . . 323 645 33 ASP HB3 H 2.583 . . 324 645 33 ASP C C 175.3512 . . 325 645 33 ASP CA C 52.7699 . . 326 645 33 ASP CB C 44.4993 . . 327 645 33 ASP N N 116.6095 . . 328 646 34 GLY H H 8.5006 . . 329 646 34 GLY HA2 H 3.3948 . . 330 646 34 GLY HA3 H 3.9732 . . 331 646 34 GLY C C 172.7726 . . 332 646 34 GLY CA C 45.8984 . . 333 646 34 GLY N N 108.1943 . . 334 647 35 GLU H H 7.2623 . . 335 647 35 GLU HA H 4.3016 . . 336 647 35 GLU HB2 H 1.877 . . 337 647 35 GLU HB3 H 2.0559 . . 338 647 35 GLU HG2 H 2.1226 . . 339 647 35 GLU HG3 H 2.2521 . . 340 647 35 GLU C C 177.4345 . . 341 647 35 GLU CA C 56.2679 . . 342 647 35 GLU CB C 30.1139 . . 343 647 35 GLU CG C 37.1144 . . 344 647 35 GLU N N 122.1206 . . 345 648 36 VAL H H 8.4617 . . 346 648 36 VAL HA H 3.4911 . . 347 648 36 VAL HB H 2.0446 . . 348 648 36 VAL HG1 H 0.8689 . . 349 648 36 VAL HG2 H 0.9876 . . 350 648 36 VAL C C 176.7145 . . 351 648 36 VAL CA C 66.9316 . . 352 648 36 VAL CB C 31.9158 . . 353 648 36 VAL CG1 C 20.8967 . . 354 648 36 VAL CG2 C 22.9165 . . 355 648 36 VAL N N 128.706 . . 356 649 37 GLU H H 8.9532 . . 357 649 37 GLU HA H 3.9319 . . 358 649 37 GLU HB2 H 1.972 . . 359 649 37 GLU HB3 H 2.0051 . . 360 649 37 GLU HG2 H 2.2327 . . 361 649 37 GLU HG3 H 2.2998 . . 362 649 37 GLU C C 179.6625 . . 363 649 37 GLU CA C 59.7686 . . 364 649 37 GLU CB C 28.8781 . . 365 649 37 GLU CG C 36.3487 . . 366 649 37 GLU N N 119.1602 . . 367 650 38 ARG H H 7.4653 . . 368 650 38 ARG HA H 3.8653 . . 369 650 38 ARG HB2 H 1.657 . . 370 650 38 ARG HB3 H 1.8379 . . 371 650 38 ARG HG2 H 1.4144 . . 372 650 38 ARG HG3 H 1.53 . . 373 650 38 ARG HD2 H 3.0166 . . 374 650 38 ARG HD3 H 3.2138 . . 375 650 38 ARG C C 176.5344 . . 376 650 38 ARG CA C 59.1321 . . 377 650 38 ARG CB C 30.0548 . . 378 650 38 ARG CG C 28.4309 . . 379 650 38 ARG CD C 43.3687 . . 380 650 38 ARG N N 118.9846 . . 381 651 39 LEU H H 7.2353 . . 382 651 39 LEU HA H 3.7337 . . 383 651 39 LEU HB2 H 1.4672 . . 384 651 39 LEU HB3 H 1.8368 . . 385 651 39 LEU HG H 1.6937 . . 386 651 39 LEU HD1 H 0.7834 . . 387 651 39 LEU HD2 H 0.7586 . . 388 651 39 LEU C C 178.9448 . . 389 651 39 LEU CA C 59.6533 . . 390 651 39 LEU CB C 42.8204 . . 391 651 39 LEU CG C 28.4071 . . 392 651 39 LEU CD1 C 26.4429 . . 393 651 39 LEU CD2 C 25.4849 . . 394 651 39 LEU N N 117.1839 . . 395 652 40 LEU H H 8.1351 . . 396 652 40 LEU HA H 3.9295 . . 397 652 40 LEU HB2 H 1.428 . . 398 652 40 LEU HB3 H 1.7638 . . 399 652 40 LEU HG H 1.7121 . . 400 652 40 LEU HD1 H 0.7731 . . 401 652 40 LEU HD2 H 0.7927 . . 402 652 40 LEU C C 180.917 . . 403 652 40 LEU CA C 56.97 . . 404 652 40 LEU CB C 41.2426 . . 405 652 40 LEU CG C 26.7734 . . 406 652 40 LEU CD1 C 22.9552 . . 407 652 40 LEU CD2 C 26.5005 . . 408 652 40 LEU N N 115.0218 . . 409 653 41 ALA H H 7.7103 . . 410 653 41 ALA HA H 4.1511 . . 411 653 41 ALA HB H 1.4788 . . 412 653 41 ALA C C 178.6544 . . 413 653 41 ALA CA C 54.1629 . . 414 653 41 ALA CB C 17.9132 . . 415 653 41 ALA N N 122.4422 . . 416 654 42 LEU H H 7.1228 . . 417 654 42 LEU HA H 4.0998 . . 418 654 42 LEU HB2 H 1.3833 . . 419 654 42 LEU HB3 H 1.9873 . . 420 654 42 LEU HG H 1.8344 . . 421 654 42 LEU HD1 H 0.8953 . . 422 654 42 LEU HD2 H 0.7499 . . 423 654 42 LEU C C 175.8054 . . 424 654 42 LEU CA C 54.5221 . . 425 654 42 LEU CB C 43.1215 . . 426 654 42 LEU CG C 26.8934 . . 427 654 42 LEU CD1 C 26.8419 . . 428 654 42 LEU CD2 C 22.8039 . . 429 654 42 LEU N N 114.6915 . . 430 655 43 THR H H 7.6403 . . 431 655 43 THR HA H 3.8852 . . 432 655 43 THR HB H 4.4236 . . 433 655 43 THR HG2 H 1.2148 . . 434 655 43 THR C C 171.3969 . . 435 655 43 THR CA C 60.7817 . . 436 655 43 THR CB C 69.724 . . 437 655 43 THR CG2 C 21.1721 . . 438 655 43 THR N N 107.8104 . . 439 656 44 PRO HA H 4.5573 . . 440 656 44 PRO HB2 H 1.7502 . . 441 656 44 PRO HB3 H 2.2132 . . 442 656 44 PRO HG2 H 1.6028 . . 443 656 44 PRO HG3 H 1.6989 . . 444 656 44 PRO HD2 H 3.453 . . 445 656 44 PRO HD3 H 3.5692 . . 446 656 44 PRO C C 175.653 . . 447 656 44 PRO CA C 62.4786 . . 448 656 44 PRO CB C 32.8574 . . 449 656 44 PRO CG C 26.323 . . 450 656 44 PRO CD C 50.0621 . . 451 657 45 ILE H H 8.8002 . . 452 657 45 ILE HA H 4.669 . . 453 657 45 ILE HB H 2.1333 . . 454 657 45 ILE HG12 H 1.3697 . . 455 657 45 ILE HG13 H 1.3697 . . 456 657 45 ILE HG2 H 1.1777 . . 457 657 45 ILE HD1 H 1.0345 . . 458 657 45 ILE C C 176.7842 . . 459 657 45 ILE CA C 62.027 . . 460 657 45 ILE CB C 38.6249 . . 461 657 45 ILE CG1 C 26.4215 . . 462 657 45 ILE CG2 C 18.5159 . . 463 657 45 ILE CD1 C 14.853 . . 464 657 45 ILE N N 111.2991 . . 465 658 46 ALA H H 7.3044 . . 466 658 46 ALA HA H 5.3824 . . 467 658 46 ALA HB H 1.029 . . 468 658 46 ALA C C 174.8843 . . 469 658 46 ALA CA C 50.4881 . . 470 658 46 ALA CB C 22.6182 . . 471 658 46 ALA N N 119.3521 . . 472 659 47 VAL H H 8.5881 . . 473 659 47 VAL HA H 5.034 . . 474 659 47 VAL HB H 1.7473 . . 475 659 47 VAL HG1 H 0.8525 . . 476 659 47 VAL HG2 H 0.8178 . . 477 659 47 VAL C C 172.7806 . . 478 659 47 VAL CA C 59.5054 . . 479 659 47 VAL CB C 35.2887 . . 480 659 47 VAL CG1 C 22.9255 . . 481 659 47 VAL CG2 C 21.5765 . . 482 659 47 VAL N N 119.3331 . . 483 660 48 LEU H H 9.3615 . . 484 660 48 LEU HA H 5.1035 . . 485 660 48 LEU HB2 H 1.3866 . . 486 660 48 LEU HB3 H 1.7772 . . 487 660 48 LEU HG H 1.5972 . . 488 660 48 LEU HD1 H 0.7104 . . 489 660 48 LEU HD2 H 0.8397 . . 490 660 48 LEU C C 174.3585 . . 491 660 48 LEU CA C 53.2101 . . 492 660 48 LEU CB C 43.2931 . . 493 660 48 LEU CG C 28.2886 . . 494 660 48 LEU CD1 C 25.7883 . . 495 660 48 LEU CD2 C 26.2652 . . 496 660 48 LEU N N 128.0574 . . 497 661 49 LEU H H 8.8196 . . 498 661 49 LEU HA H 4.8902 . . 499 661 49 LEU HB2 H 1.5791 . . 500 661 49 LEU HB3 H 2.0058 . . 501 661 49 LEU HG H 1.5224 . . 502 661 49 LEU HD1 H 0.7114 . . 503 661 49 LEU HD2 H 0.5786 . . 504 661 49 LEU C C 175.0524 . . 505 661 49 LEU CA C 53.831 . . 506 661 49 LEU CB C 41.8795 . . 507 661 49 LEU CG C 26.3452 . . 508 661 49 LEU CD1 C 24.5444 . . 509 661 49 LEU CD2 C 26.3537 . . 510 661 49 LEU N N 124.4391 . . 511 662 50 ALA H H 8.3214 . . 512 662 50 ALA HA H 5.348 . . 513 662 50 ALA HB H 1.4677 . . 514 662 50 ALA C C 177.3683 . . 515 662 50 ALA CA C 50.7032 . . 516 662 50 ALA CB C 21.6832 . . 517 662 50 ALA N N 125.7106 . . 518 663 51 GLU H H 7.9969 . . 519 663 51 GLU HA H 3.7998 . . 520 663 51 GLU HB2 H 2.0132 . . 521 663 51 GLU HB3 H 2.0132 . . 522 663 51 GLU HG2 H 2.3309 . . 523 663 51 GLU HG3 H 2.3309 . . 524 663 51 GLU C C 174.7272 . . 525 663 51 GLU CA C 56.0906 . . 526 663 51 GLU CB C 30.2859 . . 527 663 51 GLU CG C 36.1568 . . 528 663 51 GLU N N 122.0855 . . 529 664 52 PRO HA H 4.3313 . . 530 664 52 PRO HB2 H 2.0476 . . 531 664 52 PRO HB3 H 2.3548 . . 532 664 52 PRO HG2 H 1.9379 . . 533 664 52 PRO HG3 H 1.9789 . . 534 664 52 PRO HD2 H 3.5099 . . 535 664 52 PRO HD3 H 3.7489 . . 536 664 52 PRO C C 176.5798 . . 537 664 52 PRO CA C 61.5008 . . 538 664 52 PRO CB C 34.7861 . . 539 664 52 PRO CG C 24.6396 . . 540 664 52 PRO CD C 50.8077 . . 541 665 53 PHE H H 8.5755 . . 542 665 53 PHE HA H 4.6341 . . 543 665 53 PHE HB2 H 2.9499 . . 544 665 53 PHE HB3 H 3.1722 . . 545 665 53 PHE C C 176.4724 . . 546 665 53 PHE CA C 55.39 . . 547 665 53 PHE CB C 36.9837 . . 548 665 53 PHE N N 123.7342 . . 549 666 54 SER H H 8.4215 . . 550 666 54 SER HA H 4.3574 . . 551 666 54 SER HB2 H 3.7046 . . 552 666 54 SER HB3 H 4.0312 . . 553 666 54 SER C C 174.7622 . . 554 666 54 SER CA C 58.8384 . . 555 666 54 SER CB C 63.4311 . . 556 666 54 SER N N 117.2015 . . 557 667 55 TYR H H 7.1333 . . 558 667 55 TYR HA H 4.7685 . . 559 667 55 TYR HB2 H 2.9226 . . 560 667 55 TYR HB3 H 3.2028 . . 561 667 55 TYR C C 175.2127 . . 562 667 55 TYR CA C 55.5666 . . 563 667 55 TYR CB C 37.5419 . . 564 667 55 TYR N N 117.9786 . . 565 668 56 GLY H H 7.3745 . . 566 668 56 GLY HA2 H 3.7626 . . 567 668 56 GLY HA3 H 4.2461 . . 568 668 56 GLY C C 171.8547 . . 569 668 56 GLY CA C 44.5887 . . 570 668 56 GLY N N 109.0834 . . 571 669 57 ASP H H 8.0879 . . 572 669 57 ASP HA H 4.5988 . . 573 669 57 ASP HB2 H 2.587 . . 574 669 57 ASP HB3 H 2.7646 . . 575 669 57 ASP C C 177.3962 . . 576 669 57 ASP CA C 53.9995 . . 577 669 57 ASP CB C 42.3325 . . 578 669 57 ASP N N 119.5702 . . 579 670 58 VAL H H 8.179 . . 580 670 58 VAL HA H 3.3174 . . 581 670 58 VAL HB H 1.1825 . . 582 670 58 VAL HG1 H -0.0919 . . 583 670 58 VAL HG2 H 0.2315 . . 584 670 58 VAL C C 176.2765 . . 585 670 58 VAL CA C 66.1066 . . 586 670 58 VAL CB C 31.6944 . . 587 670 58 VAL CG1 C 19.9974 . . 588 670 58 VAL CG2 C 22.5866 . . 589 670 58 VAL N N 127.8415 . . 590 671 59 GLN H H 8.0869 . . 591 671 59 GLN HA H 3.8205 . . 592 671 59 GLN HB2 H 2.1751 . . 593 671 59 GLN HB3 H 2.2889 . . 594 671 59 GLN HG2 H 2.4361 . . 595 671 59 GLN HG3 H 2.4361 . . 596 671 59 GLN C C 177.8576 . . 597 671 59 GLN CA C 58.0162 . . 598 671 59 GLN CB C 29.1526 . . 599 671 59 GLN CG C 34.3559 . . 600 671 59 GLN N N 119.5436 . . 601 672 60 GLU H H 7.9149 . . 602 672 60 GLU HA H 4.0991 . . 603 672 60 GLU HB2 H 2.0883 . . 604 672 60 GLU HB3 H 2.0883 . . 605 672 60 GLU HG2 H 2.2734 . . 606 672 60 GLU HG3 H 2.3829 . . 607 672 60 GLU C C 178.6681 . . 608 672 60 GLU CA C 59.2771 . . 609 672 60 GLU CB C 29.6476 . . 610 672 60 GLU CG C 36.3171 . . 611 672 60 GLU N N 119.1235 . . 612 673 61 LEU H H 7.4855 . . 613 673 61 LEU HA H 4.0376 . . 614 673 61 LEU HB2 H 1.6554 . . 615 673 61 LEU HB3 H 1.6993 . . 616 673 61 LEU HG H 1.5618 . . 617 673 61 LEU HD1 H 0.793 . . 618 673 61 LEU HD2 H 0.836 . . 619 673 61 LEU C C 178.6133 . . 620 673 61 LEU CA C 58.5384 . . 621 673 61 LEU CB C 41.9048 . . 622 673 61 LEU CG C 27.4542 . . 623 673 61 LEU CD1 C 25.4707 . . 624 673 61 LEU CD2 C 24.4244 . . 625 673 61 LEU N N 120.6223 . . 626 674 62 VAL H H 8.3158 . . 627 674 62 VAL HA H 3.2472 . . 628 674 62 VAL HB H 2.0647 . . 629 674 62 VAL HG1 H 0.9142 . . 630 674 62 VAL HG2 H 0.7062 . . 631 674 62 VAL C C 177.6421 . . 632 674 62 VAL CA C 67.6647 . . 633 674 62 VAL CB C 31.4833 . . 634 674 62 VAL CG1 C 21.6864 . . 635 674 62 VAL CG2 C 23.5533 . . 636 674 62 VAL N N 119.0215 . . 637 675 63 ASP H H 8.7615 . . 638 675 63 ASP HA H 4.2765 . . 639 675 63 ASP HB2 H 2.5886 . . 640 675 63 ASP HB3 H 2.915 . . 641 675 63 ASP C C 179.9491 . . 642 675 63 ASP CA C 57.6686 . . 643 675 63 ASP CB C 40.1193 . . 644 675 63 ASP N N 119.4032 . . 645 676 64 GLN H H 8.0818 . . 646 676 64 GLN HA H 3.9613 . . 647 676 64 GLN HB2 H 2.0546 . . 648 676 64 GLN HB3 H 2.3176 . . 649 676 64 GLN HG2 H 2.4594 . . 650 676 64 GLN HG3 H 2.7083 . . 651 676 64 GLN C C 179.826 . . 652 676 64 GLN CA C 59.2674 . . 653 676 64 GLN CB C 29.2615 . . 654 676 64 GLN CG C 34.5742 . . 655 676 64 GLN N N 118.4354 . . 656 677 65 LEU H H 8.2467 . . 657 677 65 LEU HA H 3.9686 . . 658 677 65 LEU HB2 H 1.096 . . 659 677 65 LEU HB3 H 2.1346 . . 660 677 65 LEU HG H 1.9628 . . 661 677 65 LEU HD1 H 0.759 . . 662 677 65 LEU HD2 H 0.719 . . 663 677 65 LEU C C 179.7332 . . 664 677 65 LEU CA C 58.3822 . . 665 677 65 LEU CB C 41.971 . . 666 677 65 LEU CG C 26.346 . . 667 677 65 LEU CD1 C 23.6331 . . 668 677 65 LEU CD2 C 25.6184 . . 669 677 65 LEU N N 119.86 . . 670 678 66 ARG H H 8.8249 . . 671 678 66 ARG HA H 4.5653 . . 672 678 66 ARG HB2 H 1.7852 . . 673 678 66 ARG HB3 H 2.1337 . . 674 678 66 ARG HG2 H 1.5591 . . 675 678 66 ARG HG3 H 1.8197 . . 676 678 66 ARG HD2 H 3.271 . . 677 678 66 ARG HD3 H 3.3824 . . 678 678 66 ARG C C 177.9861 . . 679 678 66 ARG CA C 56.3767 . . 680 678 66 ARG CB C 29.4221 . . 681 678 66 ARG CG C 28.0641 . . 682 678 66 ARG CD C 42.7614 . . 683 678 66 ARG N N 117.7378 . . 684 679 67 GLN H H 7.6595 . . 685 679 67 GLN HA H 4.1433 . . 686 679 67 GLN HB2 H 2.1563 . . 687 679 67 GLN HB3 H 2.1563 . . 688 679 67 GLN HG2 H 2.4621 . . 689 679 67 GLN HG3 H 2.5923 . . 690 679 67 GLN C C 177.1588 . . 691 679 67 GLN CA C 57.753 . . 692 679 67 GLN CB C 28.8742 . . 693 679 67 GLN CG C 34.1981 . . 694 679 67 GLN N N 117.905 . . 695 680 68 ARG H H 7.221 . . 696 680 68 ARG HA H 4.4749 . . 697 680 68 ARG HB2 H 1.8157 . . 698 680 68 ARG HB3 H 2.0776 . . 699 680 68 ARG HG2 H 1.7129 . . 700 680 68 ARG HG3 H 1.7129 . . 701 680 68 ARG HD2 H 3.1449 . . 702 680 68 ARG HD3 H 3.1449 . . 703 680 68 ARG C C 176.6319 . . 704 680 68 ARG CA C 56.4359 . . 705 680 68 ARG CB C 32.9071 . . 706 680 68 ARG CG C 27.3904 . . 707 680 68 ARG CD C 42.8726 . . 708 680 68 ARG N N 115.3718 . . 709 681 69 CYS H H 8.311 . . 710 681 69 CYS HA H 5.0105 . . 711 681 69 CYS HB2 H 2.503 . . 712 681 69 CYS HB3 H 2.7702 . . 713 681 69 CYS C C 174.5227 . . 714 681 69 CYS CA C 57.1064 . . 715 681 69 CYS CB C 32.1314 . . 716 681 69 CYS N N 117.1 . . 717 682 70 THR H H 8.5411 . . 718 682 70 THR HA H 4.8299 . . 719 682 70 THR HB H 4.7699 . . 720 682 70 THR HG2 H 1.3524 . . 721 682 70 THR C C 174.9657 . . 722 682 70 THR CA C 60.5625 . . 723 682 70 THR CB C 68.105 . . 724 682 70 THR CG2 C 21.8013 . . 725 682 70 THR N N 116.568 . . 726 683 71 PRO HA H 4.4961 . . 727 683 71 PRO HB2 H 1.8606 . . 728 683 71 PRO HB3 H 2.6808 . . 729 683 71 PRO HG2 H 1.8797 . . 730 683 71 PRO HG3 H 2.2125 . . 731 683 71 PRO HD2 H 3.8979 . . 732 683 71 PRO HD3 H 3.8979 . . 733 683 71 PRO C C 177.3003 . . 734 683 71 PRO CA C 64.9939 . . 735 683 71 PRO CB C 31.3976 . . 736 683 71 PRO CG C 28.395 . . 737 683 71 PRO CD C 51.0097 . . 738 684 72 GLU H H 7.8751 . . 739 684 72 GLU HA H 4.0473 . . 740 684 72 GLU HB2 H 1.9492 . . 741 684 72 GLU HB3 H 1.9855 . . 742 684 72 GLU HG2 H 2.2425 . . 743 684 72 GLU HG3 H 2.3424 . . 744 684 72 GLU C C 177.1898 . . 745 684 72 GLU CA C 58.6373 . . 746 684 72 GLU CB C 29.4515 . . 747 684 72 GLU CG C 37.084 . . 748 684 72 GLU N N 114.125 . . 749 685 73 GLN H H 7.505 . . 750 685 73 GLN HA H 4.2526 . . 751 685 73 GLN HB2 H 2.0561 . . 752 685 73 GLN HB3 H 2.1642 . . 753 685 73 GLN HG2 H 2.4066 . . 754 685 73 GLN HG3 H 2.4066 . . 755 685 73 GLN C C 175.6059 . . 756 685 73 GLN CA C 56.6604 . . 757 685 73 GLN CB C 30.7847 . . 758 685 73 GLN CG C 34.327 . . 759 685 73 GLN N N 116.878 . . 760 686 74 LEU H H 7.7859 . . 761 686 74 LEU HA H 4.4625 . . 762 686 74 LEU HB2 H 1.3189 . . 763 686 74 LEU HB3 H 1.3933 . . 764 686 74 LEU HG H 1.1875 . . 765 686 74 LEU HD1 H 0.6631 . . 766 686 74 LEU HD2 H 0.6488 . . 767 686 74 LEU C C 174.7713 . . 768 686 74 LEU CA C 54.7255 . . 769 686 74 LEU CB C 45.743 . . 770 686 74 LEU CG C 27.116 . . 771 686 74 LEU CD1 C 24.2802 . . 772 686 74 LEU CD2 C 26.7247 . . 773 686 74 LEU N N 119.3369 . . 774 687 75 LYS H H 7.7574 . . 775 687 75 LYS HA H 4.9306 . . 776 687 75 LYS HB2 H 1.2731 . . 777 687 75 LYS HB3 H 1.5603 . . 778 687 75 LYS HG2 H 1.5566 . . 779 687 75 LYS HG3 H 1.5566 . . 780 687 75 LYS HD2 H 1.515 . . 781 687 75 LYS HD3 H 1.773 . . 782 687 75 LYS HE2 H 2.9871 . . 783 687 75 LYS HE3 H 3.0835 . . 784 687 75 LYS C C 175.7219 . . 785 687 75 LYS CA C 53.3376 . . 786 687 75 LYS CB C 33.9356 . . 787 687 75 LYS CG C 24.7259 . . 788 687 75 LYS CD C 28.0298 . . 789 687 75 LYS CE C 42.5956 . . 790 687 75 LYS N N 126.8861 . . 791 688 76 ILE H H 10.094 . . 792 688 76 ILE HA H 4.6182 . . 793 688 76 ILE HB H 1.6427 . . 794 688 76 ILE HG12 H 0.5847 . . 795 688 76 ILE HG13 H 1.4914 . . 796 688 76 ILE HG2 H 0.6819 . . 797 688 76 ILE HD1 H 0.7626 . . 798 688 76 ILE C C 174.7846 . . 799 688 76 ILE CA C 60.8527 . . 800 688 76 ILE CB C 40.4395 . . 801 688 76 ILE CG1 C 27.8392 . . 802 688 76 ILE CG2 C 17.5215 . . 803 688 76 ILE CD1 C 15.2479 . . 804 688 76 ILE N N 122.9776 . . 805 689 77 PHE H H 9.1334 . . 806 689 77 PHE HA H 5.6964 . . 807 689 77 PHE HB2 H 2.7006 . . 808 689 77 PHE HB3 H 3.0109 . . 809 689 77 PHE C C 175.042 . . 810 689 77 PHE CA C 52.8969 . . 811 689 77 PHE CB C 41.3709 . . 812 689 77 PHE N N 126.6465 . . 813 690 78 ILE H H 8.1533 . . 814 690 78 ILE HA H 5.0399 . . 815 690 78 ILE HB H 1.7418 . . 816 690 78 ILE HG12 H 1.277 . . 817 690 78 ILE HG13 H 1.3419 . . 818 690 78 ILE HG2 H 1.1943 . . 819 690 78 ILE HD1 H 0.6465 . . 820 690 78 ILE C C 174.8408 . . 821 690 78 ILE CA C 58.4941 . . 822 690 78 ILE CB C 38.8441 . . 823 690 78 ILE CG1 C 28.6194 . . 824 690 78 ILE CG2 C 16.9904 . . 825 690 78 ILE CD1 C 12.7524 . . 826 690 78 ILE N N 122.1851 . . 827 691 79 LEU H H 8.7614 . . 828 691 79 LEU HA H 5.5556 . . 829 691 79 LEU HB2 H 1.5765 . . 830 691 79 LEU HB3 H 1.5765 . . 831 691 79 LEU HG H 1.5964 . . 832 691 79 LEU HD1 H 0.8374 . . 833 691 79 LEU C C 174.8886 . . 834 691 79 LEU CA C 52.9108 . . 835 691 79 LEU CB C 41.8448 . . 836 691 79 LEU CG C 28.1604 . . 837 691 79 LEU CD1 C 26.2534 . . 838 691 79 LEU N N 129.9569 . . 839 692 80 GLY H H 8.5518 . . 840 692 80 GLY HA2 H 3.7375 . . 841 692 80 GLY HA3 H 4.4482 . . 842 692 80 GLY C C 172.7276 . . 843 692 80 GLY CA C 44.9694 . . 844 692 80 GLY N N 110.1927 . . 845 693 81 SER H H 8.4579 . . 846 693 81 SER HA H 4.414 . . 847 693 81 SER HB2 H 3.9198 . . 848 693 81 SER HB3 H 3.9198 . . 849 693 81 SER C C 174.0967 . . 850 693 81 SER CA C 58.795 . . 851 693 81 SER CB C 64.3645 . . 852 693 81 SER N N 115.396 . . 853 694 82 LYS H H 8.1131 . . 854 694 82 LYS HA H 3.5856 . . 855 694 82 LYS HB2 H 1.569 . . 856 694 82 LYS HB3 H 1.6644 . . 857 694 82 LYS HG2 H 1.1642 . . 858 694 82 LYS HG3 H 1.1642 . . 859 694 82 LYS HD2 H 1.5507 . . 860 694 82 LYS HD3 H 1.5507 . . 861 694 82 LYS HE2 H 2.9521 . . 862 694 82 LYS HE3 H 2.9521 . . 863 694 82 LYS C C 176.4002 . . 864 694 82 LYS CA C 57.11 . . 865 694 82 LYS CB C 32.3151 . . 866 694 82 LYS CG C 24.6758 . . 867 694 82 LYS CD C 28.9926 . . 868 694 82 LYS CE C 41.9615 . . 869 694 82 LYS N N 121.7589 . . 870 695 83 GLY H H 6.5339 . . 871 695 83 GLY HA2 H 3.3974 . . 872 695 83 GLY HA3 H 4.0852 . . 873 695 83 GLY C C 172.2168 . . 874 695 83 GLY CA C 44.3693 . . 875 695 83 GLY N N 111.105 . . 876 696 84 ASN H H 7.8304 . . 877 696 84 ASN HA H 4.8156 . . 878 696 84 ASN HB2 H 2.4671 . . 879 696 84 ASN HB3 H 2.6771 . . 880 696 84 ASN C C 174.5591 . . 881 696 84 ASN CA C 52.2613 . . 882 696 84 ASN CB C 38.5471 . . 883 696 84 ASN N N 117.6805 . . 884 697 85 TYR H H 7.1829 . . 885 697 85 TYR HA H 4.6336 . . 886 697 85 TYR HB2 H 2.674 . . 887 697 85 TYR HB3 H 2.9023 . . 888 697 85 TYR C C 176.3103 . . 889 697 85 TYR CA C 57.5068 . . 890 697 85 TYR CB C 39.0177 . . 891 697 85 TYR N N 118.5421 . . 892 698 86 GLN H H 9.1975 . . 893 698 86 GLN HA H 4.4904 . . 894 698 86 GLN HB2 H 2.0428 . . 895 698 86 GLN HB3 H 2.1087 . . 896 698 86 GLN HG2 H 2.3994 . . 897 698 86 GLN HG3 H 2.3994 . . 898 698 86 GLN C C 177.2514 . . 899 698 86 GLN CA C 55.8838 . . 900 698 86 GLN CB C 29.5848 . . 901 698 86 GLN CG C 33.7906 . . 902 698 86 GLN N N 124.4795 . . 903 699 87 GLY H H 8.7298 . . 904 699 87 GLY HA2 H 3.7536 . . 905 699 87 GLY HA3 H 4.0801 . . 906 699 87 GLY C C 173.6749 . . 907 699 87 GLY CA C 45.6339 . . 908 699 87 GLY N N 110.9085 . . 909 700 88 VAL H H 7.0214 . . 910 700 88 VAL HA H 3.7902 . . 911 700 88 VAL HB H 1.9084 . . 912 700 88 VAL HG1 H 0.4531 . . 913 700 88 VAL HG2 H 0.724 . . 914 700 88 VAL C C 175.5489 . . 915 700 88 VAL CA C 61.9908 . . 916 700 88 VAL CB C 33.1885 . . 917 700 88 VAL CG1 C 22.0669 . . 918 700 88 VAL CG2 C 22.2049 . . 919 700 88 VAL N N 116.9458 . . 920 701 89 ASP H H 8.8749 . . 921 701 89 ASP HA H 4.657 . . 922 701 89 ASP HB2 H 2.3741 . . 923 701 89 ASP HB3 H 2.7075 . . 924 701 89 ASP C C 176.3724 . . 925 701 89 ASP CA C 57.8859 . . 926 701 89 ASP CB C 43.8454 . . 927 701 89 ASP N N 125.2484 . . 928 702 90 ARG H H 7.2374 . . 929 702 90 ARG HA H 4.5445 . . 930 702 90 ARG HB2 H 1.4137 . . 931 702 90 ARG HB3 H 1.4261 . . 932 702 90 ARG HG2 H 1.3912 . . 933 702 90 ARG HG3 H 1.4432 . . 934 702 90 ARG HD2 H 2.8667 . . 935 702 90 ARG HD3 H 3.0436 . . 936 702 90 ARG C C 172.9991 . . 937 702 90 ARG CA C 55.2974 . . 938 702 90 ARG CB C 35.1813 . . 939 702 90 ARG CG C 27.8085 . . 940 702 90 ARG CD C 43.0977 . . 941 702 90 ARG N N 115.7084 . . 942 703 91 TYR H H 8.5662 . . 943 703 91 TYR HA H 5.322 . . 944 703 91 TYR HB2 H 2.8515 . . 945 703 91 TYR HB3 H 2.91 . . 946 703 91 TYR C C 175.5437 . . 947 703 91 TYR CA C 56.9676 . . 948 703 91 TYR CB C 39.9336 . . 949 703 91 TYR N N 122.2131 . . 950 704 92 ILE H H 9.4115 . . 951 704 92 ILE HA H 4.6223 . . 952 704 92 ILE HB H 1.874 . . 953 704 92 ILE HG12 H 0.9554 . . 954 704 92 ILE HG13 H 1.3612 . . 955 704 92 ILE HG2 H 1.0513 . . 956 704 92 ILE HD1 H 0.4606 . . 957 704 92 ILE C C 172.7147 . . 958 704 92 ILE CA C 57.9709 . . 959 704 92 ILE CB C 40.6911 . . 960 704 92 ILE CG1 C 27.4601 . . 961 704 92 ILE CG2 C 16.7469 . . 962 704 92 ILE CD1 C 13.707 . . 963 704 92 ILE N N 126.5821 . . 964 705 93 PRO HA H 4.5871 . . 965 705 93 PRO HB2 H 1.8834 . . 966 705 93 PRO HB3 H 2.2992 . . 967 705 93 PRO HG2 H 2.0335 . . 968 705 93 PRO HG3 H 2.0335 . . 969 705 93 PRO HD2 H 3.8063 . . 970 705 93 PRO HD3 H 3.8063 . . 971 705 93 PRO C C 175.3453 . . 972 705 93 PRO CA C 62.9973 . . 973 705 93 PRO CB C 32.6118 . . 974 705 93 PRO CG C 27.062 . . 975 705 93 PRO CD C 51.1257 . . 976 706 94 LEU H H 7.4004 . . 977 706 94 LEU HA H 4.3016 . . 978 706 94 LEU HB2 H 1.3517 . . 979 706 94 LEU HB3 H 1.4986 . . 980 706 94 LEU HG H 1.5029 . . 981 706 94 LEU HD1 H 0.8884 . . 982 706 94 LEU HD2 H 0.8324 . . 983 706 94 LEU C C 176.5288 . . 984 706 94 LEU CA C 52.0415 . . 985 706 94 LEU CB C 43.1263 . . 986 706 94 LEU CG C 27.2194 . . 987 706 94 LEU CD1 C 25.9629 . . 988 706 94 LEU CD2 C 23.5203 . . 989 706 94 LEU N N 116.7527 . . 990 707 95 PRO HA H 4.4061 . . 991 707 95 PRO HB2 H 1.9386 . . 992 707 95 PRO HB3 H 2.3679 . . 993 707 95 PRO HG2 H 1.7163 . . 994 707 95 PRO HG3 H 1.878 . . 995 707 95 PRO HD2 H 3.4454 . . 996 707 95 PRO HD3 H 3.573 . . 997 707 95 PRO C C 175.9111 . . 998 707 95 PRO CA C 61.7238 . . 999 707 95 PRO CB C 35.0035 . . 1000 707 95 PRO CG C 24.6525 . . 1001 707 95 PRO CD C 50.7187 . . 1002 708 96 ILE H H 8.2189 . . 1003 708 96 ILE HA H 4.048 . . 1004 708 96 ILE HB H 1.6591 . . 1005 708 96 ILE HG12 H 1.0571 . . 1006 708 96 ILE HG13 H 1.0571 . . 1007 708 96 ILE HG2 H 0.4158 . . 1008 708 96 ILE HD1 H 0.2138 . . 1009 708 96 ILE C C 175.3721 . . 1010 708 96 ILE CA C 60.2153 . . 1011 708 96 ILE CB C 37.7667 . . 1012 708 96 ILE CG1 C 26.8899 . . 1013 708 96 ILE CG2 C 17.6052 . . 1014 708 96 ILE CD1 C 12.0855 . . 1015 708 96 ILE N N 117.6678 . . 1016 709 97 HIS H H 8.7458 . . 1017 709 97 HIS HA H 5.1184 . . 1018 709 97 HIS HB2 H 3.1215 . . 1019 709 97 HIS HB3 H 3.2861 . . 1020 709 97 HIS C C 174.4246 . . 1021 709 97 HIS CA C 52.9895 . . 1022 709 97 HIS CB C 31.1909 . . 1023 709 97 HIS N N 127.2321 . . 1024 710 98 PRO HA H 3.9614 . . 1025 710 98 PRO HB2 H 2.08 . . 1026 710 98 PRO HB3 H 2.226 . . 1027 710 98 PRO HG2 H 1.7703 . . 1028 710 98 PRO HG3 H 2.2212 . . 1029 710 98 PRO HD2 H 3.6466 . . 1030 710 98 PRO HD3 H 3.895 . . 1031 710 98 PRO C C 177.2489 . . 1032 710 98 PRO CA C 66.8837 . . 1033 710 98 PRO CB C 32.5798 . . 1034 710 98 PRO CG C 27.682 . . 1035 710 98 PRO CD C 50.8863 . . 1036 711 99 GLU H H 9.151 . . 1037 711 99 GLU HA H 4.1669 . . 1038 711 99 GLU HB2 H 2.0691 . . 1039 711 99 GLU HG2 H 2.3439 . . 1040 711 99 GLU HG3 H 2.3439 . . 1041 711 99 GLU C C 178.3882 . . 1042 711 99 GLU CA C 59.7363 . . 1043 711 99 GLU CB C 29.2957 . . 1044 711 99 GLU CG C 36.8323 . . 1045 711 99 GLU N N 116.3391 . . 1046 712 100 SER H H 7.7905 . . 1047 712 100 SER HA H 4.6021 . . 1048 712 100 SER HB2 H 3.9277 . . 1049 712 100 SER HB3 H 4.1048 . . 1050 712 100 SER C C 176.5029 . . 1051 712 100 SER CA C 59.6343 . . 1052 712 100 SER CB C 63.707 . . 1053 712 100 SER N N 113.6129 . . 1054 713 101 PHE H H 8.4821 . . 1055 713 101 PHE HA H 4.2744 . . 1056 713 101 PHE HB2 H 2.9177 . . 1057 713 101 PHE HB3 H 3.4072 . . 1058 713 101 PHE C C 176.2545 . . 1059 713 101 PHE CA C 61.9236 . . 1060 713 101 PHE CB C 39.6867 . . 1061 713 101 PHE N N 123.9384 . . 1062 714 102 LEU H H 8.3978 . . 1063 714 102 LEU HA H 3.6331 . . 1064 714 102 LEU HB2 H 1.5087 . . 1065 714 102 LEU HB3 H 1.827 . . 1066 714 102 LEU HG H 1.6217 . . 1067 714 102 LEU HD1 H 0.9586 . . 1068 714 102 LEU HD2 H 0.8679 . . 1069 714 102 LEU C C 179.4854 . . 1070 714 102 LEU CA C 57.9058 . . 1071 714 102 LEU CB C 41.4043 . . 1072 714 102 LEU CG C 26.9959 . . 1073 714 102 LEU CD1 C 25.3363 . . 1074 714 102 LEU CD2 C 23.6988 . . 1075 714 102 LEU N N 118.0049 . . 1076 715 103 GLN H H 7.932 . . 1077 715 103 GLN HA H 3.9911 . . 1078 715 103 GLN HB2 H 2.1882 . . 1079 715 103 GLN HB3 H 2.1882 . . 1080 715 103 GLN HG2 H 2.3925 . . 1081 715 103 GLN HG3 H 2.4773 . . 1082 715 103 GLN C C 177.9925 . . 1083 715 103 GLN CA C 59.2473 . . 1084 715 103 GLN CB C 28.1549 . . 1085 715 103 GLN CG C 33.8416 . . 1086 715 103 GLN N N 119.3646 . . 1087 716 104 GLN H H 7.9539 . . 1088 716 104 GLN HA H 3.8864 . . 1089 716 104 GLN HB2 H 1.8787 . . 1090 716 104 GLN HB3 H 2.0933 . . 1091 716 104 GLN HG2 H 2.4254 . . 1092 716 104 GLN HG3 H 2.5955 . . 1093 716 104 GLN C C 178.716 . . 1094 716 104 GLN CA C 59.2325 . . 1095 716 104 GLN CB C 29.0346 . . 1096 716 104 GLN CG C 34.5765 . . 1097 716 104 GLN N N 117.6372 . . 1098 717 105 VAL H H 7.7513 . . 1099 717 105 VAL HA H 3.2348 . . 1100 717 105 VAL HB H 1.5608 . . 1101 717 105 VAL HG1 H 0.0072 . . 1102 717 105 VAL HG2 H 0.316 . . 1103 717 105 VAL C C 177.1762 . . 1104 717 105 VAL CA C 66.0116 . . 1105 717 105 VAL CB C 31.4912 . . 1106 717 105 VAL CG1 C 22.7768 . . 1107 717 105 VAL CG2 C 20.2665 . . 1108 717 105 VAL N N 118.5771 . . 1109 718 106 THR H H 8.2512 . . 1110 718 106 THR HA H 3.7696 . . 1111 718 106 THR HB H 4.2409 . . 1112 718 106 THR HG2 H 1.2389 . . 1113 718 106 THR C C 177.9476 . . 1114 718 106 THR CA C 66.724 . . 1115 718 106 THR CB C 68.7566 . . 1116 718 106 THR CG2 C 21.5125 . . 1117 718 106 THR N N 112.8447 . . 1118 719 107 MET H H 8.2543 . . 1119 719 107 MET HA H 4.2081 . . 1120 719 107 MET HB2 H 2.0195 . . 1121 719 107 MET HB3 H 2.1261 . . 1122 719 107 MET HG2 H 2.5768 . . 1123 719 107 MET HG3 H 2.7261 . . 1124 719 107 MET C C 178.7344 . . 1125 719 107 MET CA C 58.4804 . . 1126 719 107 MET CB C 32.4337 . . 1127 719 107 MET CG C 32.4272 . . 1128 719 107 MET N N 120.7906 . . 1129 720 108 GLY H H 7.9029 . . 1130 720 108 GLY HA2 H 3.5428 . . 1131 720 108 GLY HA3 H 4.013 . . 1132 720 108 GLY C C 174.7331 . . 1133 720 108 GLY CA C 46.338 . . 1134 720 108 GLY N N 112.5466 . . 1135 721 109 LEU H H 7.857 . . 1136 721 109 LEU HA H 4.3792 . . 1137 721 109 LEU HB2 H 1.6806 . . 1138 721 109 LEU HB3 H 1.9478 . . 1139 721 109 LEU HG H 1.9504 . . 1140 721 109 LEU HD1 H 0.7244 . . 1141 721 109 LEU HD2 H 0.7723 . . 1142 721 109 LEU C C 177.8952 . . 1143 721 109 LEU CA C 56.1124 . . 1144 721 109 LEU CB C 42.3497 . . 1145 721 109 LEU CG C 26.4346 . . 1146 721 109 LEU CD1 C 25.8923 . . 1147 721 109 LEU CD2 C 23.2335 . . 1148 721 109 LEU N N 119.2735 . . 1149 722 110 THR H H 7.5977 . . 1150 722 110 THR HA H 4.3722 . . 1151 722 110 THR HB H 4.3374 . . 1152 722 110 THR HG2 H 1.2987 . . 1153 722 110 THR C C 174.6058 . . 1154 722 110 THR CA C 62.6227 . . 1155 722 110 THR CB C 70.0447 . . 1156 722 110 THR CG2 C 21.3478 . . 1157 722 110 THR N N 111.1375 . . 1158 723 111 SER H H 7.9392 . . 1159 723 111 SER HA H 4.4908 . . 1160 723 111 SER HB2 H 3.9287 . . 1161 723 111 SER HB3 H 3.958 . . 1162 723 111 SER C C 174.4971 . . 1163 723 111 SER CA C 58.5737 . . 1164 723 111 SER CB C 63.6855 . . 1165 723 111 SER N N 116.8829 . . 1166 724 112 LEU H H 8.0656 . . 1167 724 112 LEU HA H 4.4076 . . 1168 724 112 LEU HB2 H 1.6538 . . 1169 724 112 LEU HB3 H 1.6538 . . 1170 724 112 LEU HG H 1.6552 . . 1171 724 112 LEU HD1 H 0.8894 . . 1172 724 112 LEU HD2 H 0.9499 . . 1173 724 112 LEU C C 177.0902 . . 1174 724 112 LEU CA C 55.1335 . . 1175 724 112 LEU CB C 42.7352 . . 1176 724 112 LEU CG C 27.1143 . . 1177 724 112 LEU CD1 C 23.7401 . . 1178 724 112 LEU CD2 C 25.2159 . . 1179 724 112 LEU N N 123.8537 . . 1180 725 113 ALA H H 8.2543 . . 1181 725 113 ALA HA H 4.4202 . . 1182 725 113 ALA HB H 1.428 . . 1183 725 113 ALA C C 177.8682 . . 1184 725 113 ALA CA C 52.5375 . . 1185 725 113 ALA CB C 19.3029 . . 1186 725 113 ALA N N 124.6193 . . 1187 726 114 THR H H 7.9458 . . 1188 726 114 THR HA H 4.3865 . . 1189 726 114 THR HB H 4.2781 . . 1190 726 114 THR HG2 H 1.2305 . . 1191 726 114 THR C C 174.5919 . . 1192 726 114 THR CA C 61.6065 . . 1193 726 114 THR CB C 69.7437 . . 1194 726 114 THR CG2 C 21.5128 . . 1195 726 114 THR N N 112.4835 . . 1196 727 115 SER H H 8.1199 . . 1197 727 115 SER HA H 4.5011 . . 1198 727 115 SER HB2 H 3.8969 . . 1199 727 115 SER HB3 H 3.8969 . . 1200 727 115 SER C C 174.0124 . . 1201 727 115 SER CA C 58.1655 . . 1202 727 115 SER CB C 63.9616 . . 1203 727 115 SER N N 117.5144 . . 1204 728 116 ALA H H 8.183 . . 1205 728 116 ALA HA H 4.3938 . . 1206 728 116 ALA HB H 1.4092 . . 1207 728 116 ALA C C 176.568 . . 1208 728 116 ALA CA C 52.5238 . . 1209 728 116 ALA CB C 19.3561 . . 1210 728 116 ALA N N 126.3423 . . 1211 729 117 GLN H H 7.7651 . . 1212 729 117 GLN HA H 4.1695 . . 1213 729 117 GLN HB2 H 1.9267 . . 1214 729 117 GLN HB3 H 2.1183 . . 1215 729 117 GLN HG2 H 2.3005 . . 1216 729 117 GLN HG3 H 2.3005 . . 1217 729 117 GLN C C 180.4351 . . 1218 729 117 GLN CA C 57.3063 . . 1219 729 117 GLN CB C 30.6792 . . 1220 729 117 GLN CG C 34.338 . . 1221 729 117 GLN N N 124.302 . . stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_3 $software_5 stop_ loop_ _Experiment_label '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 13C edited 1H-13C NOESY' '13C-edited, 12C-filtered 3D NOESY-HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_2 $sample_15 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_2 _Mol_system_component_name entity_2 _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 3 3 PRO HA H 4.3921 . . 2 3 3 PRO HB2 H 1.8705 . . 3 3 3 PRO HB3 H 2.2586 . . 4 3 3 PRO HG2 H 2.0191 . . 5 3 3 PRO HG3 H 2.0191 . . 6 3 3 PRO HD2 H 3.636 . . 7 3 3 PRO HD3 H 3.7872 . . 8 3 3 PRO C C 176.5336 . . 9 3 3 PRO CA C 63.0143 . . 10 3 3 PRO CB C 31.9281 . . 11 3 3 PRO CG C 27.4651 . . 12 3 3 PRO CD C 50.4179 . . 13 4 4 LEU H H 8.0385 . . 14 4 4 LEU HA H 4.2965 . . 15 4 4 LEU HB2 H 1.5561 . . 16 4 4 LEU HB3 H 1.5923 . . 17 4 4 LEU HG H 1.6442 . . 18 4 4 LEU HD1 H 0.8625 . . 19 4 4 LEU HD2 H 0.8947 . . 20 4 4 LEU C C 177.1479 . . 21 4 4 LEU CA C 55.0936 . . 22 4 4 LEU CB C 42.5355 . . 23 4 4 LEU CG C 27.1037 . . 24 4 4 LEU CD1 C 24.1578 . . 25 4 4 LEU CD2 C 25.107 . . 26 4 4 LEU N N 121.8873 . . 27 5 5 ARG H H 8.0867 . . 28 5 5 ARG HA H 4.3507 . . 29 5 5 ARG HB2 H 1.7511 . . 30 5 5 ARG HB3 H 1.8168 . . 31 5 5 ARG HG2 H 1.6197 . . 32 5 5 ARG HG3 H 1.6197 . . 33 5 5 ARG HD2 H 3.1992 . . 34 5 5 ARG HD3 H 3.1992 . . 35 5 5 ARG C C 175.8462 . . 36 5 5 ARG CA C 55.6377 . . 37 5 5 ARG CB C 31.0387 . . 38 5 5 ARG CG C 27.2721 . . 39 5 5 ARG CD C 43.3692 . . 40 5 5 ARG N N 121.9723 . . 41 6 6 LYS H H 8.1918 . . 42 6 6 LYS HA H 4.3285 . . 43 6 6 LYS HB2 H 1.6739 . . 44 6 6 LYS HB3 H 1.7726 . . 45 6 6 LYS HG2 H 1.3795 . . 46 6 6 LYS HG3 H 1.451 . . 47 6 6 LYS HD2 H 1.6676 . . 48 6 6 LYS HD3 H 1.6676 . . 49 6 6 LYS HE2 H 3.0014 . . 50 6 6 LYS HE3 H 3.0014 . . 51 6 6 LYS C C 175.9441 . . 52 6 6 LYS CA C 56.1429 . . 53 6 6 LYS CB C 32.7802 . . 54 6 6 LYS CG C 24.8153 . . 55 6 6 LYS CD C 28.9362 . . 56 6 6 LYS CE C 42.0809 . . 57 6 6 LYS N N 122.6586 . . 58 7 7 THR H H 7.7927 . . 59 7 7 THR HA H 4.4206 . . 60 7 7 THR HB H 3.95 . . 61 7 7 THR HG2 H 1.129 . . 62 7 7 THR C C 173.2957 . . 63 7 7 THR CA C 62.1886 . . 64 7 7 THR CB C 70.5241 . . 65 7 7 THR CG2 C 22.0512 . . 66 7 7 THR N N 117.0098 . . 67 8 8 ALA H H 8.1952 . . 68 8 8 ALA HA H 4.8636 . . 69 8 8 ALA HB H 1.5669 . . 70 8 8 ALA C C 176.7292 . . 71 8 8 ALA CA C 51.2762 . . 72 8 8 ALA CB C 21.834 . . 73 8 8 ALA N N 125.9357 . . 74 9 9 VAL H H 8.807 . . 75 9 9 VAL HA H 4.7802 . . 76 9 9 VAL HB H 2.0101 . . 77 9 9 VAL HG1 H 0.8948 . . 78 9 9 VAL HG2 H 1.0418 . . 79 9 9 VAL C C 175.6758 . . 80 9 9 VAL CA C 62.0168 . . 81 9 9 VAL CB C 34.4842 . . 82 9 9 VAL CG1 C 21.2626 . . 83 9 9 VAL CG2 C 21.5416 . . 84 9 9 VAL N N 121.0927 . . 85 10 10 LEU H H 8.689 . . 86 10 10 LEU HA H 5.071 . . 87 10 10 LEU HB2 H 1.1845 . . 88 10 10 LEU HB3 H 1.6577 . . 89 10 10 LEU HG H 1.4337 . . 90 10 10 LEU HD1 H 0.4557 . . 91 10 10 LEU HD2 H 0.0975 . . 92 10 10 LEU C C 175.1492 . . 93 10 10 LEU CA C 52.5768 . . 94 10 10 LEU CB C 44.4828 . . 95 10 10 LEU CG C 26.5562 . . 96 10 10 LEU CD1 C 22.1537 . . 97 10 10 LEU CD2 C 25.8515 . . 98 10 10 LEU N N 126.9318 . . 99 11 11 LYS H H 9.2584 . . 100 11 11 LYS HA H 5.0971 . . 101 11 11 LYS HB2 H 1.2118 . . 102 11 11 LYS HB3 H 1.461 . . 103 11 11 LYS HG2 H 0.7207 . . 104 11 11 LYS HG3 H 1.1167 . . 105 11 11 LYS HD2 H 1.4678 . . 106 11 11 LYS HD3 H 1.5537 . . 107 11 11 LYS HE2 H 2.6023 . . 108 11 11 LYS HE3 H 2.6765 . . 109 11 11 LYS C C 173.6337 . . 110 11 11 LYS CA C 54.6758 . . 111 11 11 LYS CB C 36.4672 . . 112 11 11 LYS CG C 25.7305 . . 113 11 11 LYS CD C 30.6185 . . 114 11 11 LYS CE C 41.6803 . . 115 11 11 LYS N N 121.1075 . . 116 12 12 LEU H H 9.123 . . 117 12 12 LEU HA H 5.1593 . . 118 12 12 LEU HB2 H 1.1166 . . 119 12 12 LEU HB3 H 1.765 . . 120 12 12 LEU HG H 1.4204 . . 121 12 12 LEU HD1 H 0.7887 . . 122 12 12 LEU HD2 H 0.7521 . . 123 12 12 LEU C C 173.7746 . . 124 12 12 LEU CA C 52.8799 . . 125 12 12 LEU CB C 45.2497 . . 126 12 12 LEU CG C 27.3498 . . 127 12 12 LEU CD1 C 23.2225 . . 128 12 12 LEU CD2 C 26.9002 . . 129 12 12 LEU N N 125.8453 . . 130 13 13 TYR H H 9.1908 . . 131 13 13 TYR HA H 5.3731 . . 132 13 13 TYR HB2 H 2.6315 . . 133 13 13 TYR HB3 H 2.8218 . . 134 13 13 TYR C C 175.863 . . 135 13 13 TYR CA C 56.6001 . . 136 13 13 TYR CB C 39.5646 . . 137 13 13 TYR N N 126.3637 . . 138 14 14 VAL H H 8.8967 . . 139 14 14 VAL HA H 4.7574 . . 140 14 14 VAL HB H 2.2113 . . 141 14 14 VAL HG1 H 0.8305 . . 142 14 14 VAL HG2 H 0.6472 . . 143 14 14 VAL C C 173.4952 . . 144 14 14 VAL CA C 58.4814 . . 145 14 14 VAL CB C 35.542 . . 146 14 14 VAL CG1 C 21.6894 . . 147 14 14 VAL CG2 C 17.1609 . . 148 14 14 VAL N N 114.0682 . . 149 15 15 ALA H H 8.2775 . . 150 15 15 ALA HA H 4.8659 . . 151 15 15 ALA HB H 1.1978 . . 152 15 15 ALA C C 176.2482 . . 153 15 15 ALA CA C 50.2965 . . 154 15 15 ALA CB C 19.2587 . . 155 15 15 ALA N N 123.6747 . . 156 16 16 GLY H H 8.9844 . . 157 16 16 GLY HA2 H 3.6757 . . 158 16 16 GLY HA3 H 3.8469 . . 159 16 16 GLY C C 172.779 . . 160 16 16 GLY CA C 45.9785 . . 161 16 16 GLY N N 114.2704 . . 162 17 17 ASN H H 8.5722 . . 163 17 17 ASN HA H 4.8554 . . 164 17 17 ASN HB2 H 2.4476 . . 165 17 17 ASN HB3 H 2.79 . . 166 17 17 ASN C C 174.8573 . . 167 17 17 ASN CA C 51.7721 . . 168 17 17 ASN CB C 38.4993 . . 169 17 17 ASN N N 122.7615 . . 170 18 18 THR H H 7.5078 . . 171 18 18 THR HA H 4.5723 . . 172 18 18 THR HB H 4.6338 . . 173 18 18 THR HG2 H 1.406 . . 174 18 18 THR C C 173.9658 . . 175 18 18 THR CA C 60.1543 . . 176 18 18 THR CB C 68.9357 . . 177 18 18 THR CG2 C 21.96 . . 178 18 18 THR N N 111.8358 . . 179 19 19 PRO HA H 4.2339 . . 180 19 19 PRO HB2 H 1.9684 . . 181 19 19 PRO HB3 H 2.397 . . 182 19 19 PRO HG2 H 2.0852 . . 183 19 19 PRO HG3 H 2.2561 . . 184 19 19 PRO HD2 H 3.8026 . . 185 19 19 PRO HD3 H 3.9162 . . 186 19 19 PRO CA C 66.4771 . . 187 19 19 PRO CB C 31.8387 . . 188 19 19 PRO CG C 27.85 . . 189 19 19 PRO CD C 50.4195 . . 190 20 20 ASN HA H 4.4725 . . 191 20 20 ASN HB2 H 2.7699 . . 192 20 20 ASN HB3 H 2.8909 . . 193 20 20 ASN C C 178.4686 . . 194 20 20 ASN CA C 56.0752 . . 195 20 20 ASN CB C 37.5417 . . 196 21 21 SER H H 7.8025 . . 197 21 21 SER HA H 4.1423 . . 198 21 21 SER HB2 H 3.8003 . . 199 21 21 SER HB3 H 3.984 . . 200 21 21 SER C C 175.2894 . . 201 21 21 SER CA C 62.9898 . . 202 21 21 SER CB C 63.2493 . . 203 21 21 SER N N 118.845 . . 204 22 22 VAL H H 8.1959 . . 205 22 22 VAL HA H 3.5611 . . 206 22 22 VAL HB H 2.0056 . . 207 22 22 VAL HG1 H 0.9128 . . 208 22 22 VAL HG2 H 0.9055 . . 209 22 22 VAL C C 177.8486 . . 210 22 22 VAL CA C 66.8319 . . 211 22 22 VAL CB C 31.6275 . . 212 22 22 VAL CG1 C 23.0347 . . 213 22 22 VAL CG2 C 21.3572 . . 214 22 22 VAL N N 122.5432 . . 215 23 23 ARG H H 8.1639 . . 216 23 23 ARG HA H 4.0322 . . 217 23 23 ARG HB2 H 1.9157 . . 218 23 23 ARG HB3 H 1.9157 . . 219 23 23 ARG HG2 H 1.6382 . . 220 23 23 ARG HG3 H 1.8024 . . 221 23 23 ARG HD2 H 3.2537 . . 222 23 23 ARG HD3 H 3.2537 . . 223 23 23 ARG C C 179.4619 . . 224 23 23 ARG CA C 59.7397 . . 225 23 23 ARG CB C 30.2556 . . 226 23 23 ARG CG C 27.7572 . . 227 23 23 ARG CD C 43.5325 . . 228 23 23 ARG N N 118.9549 . . 229 24 24 ALA H H 7.5412 . . 230 24 24 ALA HA H 4.0529 . . 231 24 24 ALA HB H 1.4337 . . 232 24 24 ALA C C 178.4076 . . 233 24 24 ALA CA C 54.924 . . 234 24 24 ALA CB C 18.5177 . . 235 24 24 ALA N N 122.3276 . . 236 25 25 LEU H H 7.819 . . 237 25 25 LEU HA H 3.7688 . . 238 25 25 LEU HB2 H 1.4118 . . 239 25 25 LEU HB3 H 1.4525 . . 240 25 25 LEU HG H 1.5125 . . 241 25 25 LEU HD1 H 0.8551 . . 242 25 25 LEU HD2 H 0.8578 . . 243 25 25 LEU C C 177.5375 . . 244 25 25 LEU CA C 58.389 . . 245 25 25 LEU CB C 42.1087 . . 246 25 25 LEU CG C 26.9407 . . 247 25 25 LEU CD1 C 24.5115 . . 248 25 25 LEU CD2 C 26.2202 . . 249 25 25 LEU N N 117.7264 . . 250 26 26 LYS H H 8.3814 . . 251 26 26 LYS HA H 3.8107 . . 252 26 26 LYS HB2 H 1.8621 . . 253 26 26 LYS HB3 H 1.8621 . . 254 26 26 LYS HG2 H 1.3253 . . 255 26 26 LYS HG3 H 1.6706 . . 256 26 26 LYS HD2 H 1.6872 . . 257 26 26 LYS HD3 H 1.6872 . . 258 26 26 LYS HE2 H 2.9461 . . 259 26 26 LYS HE3 H 3.007 . . 260 26 26 LYS C C 179.636 . . 261 26 26 LYS CA C 60.2707 . . 262 26 26 LYS CB C 32.7081 . . 263 26 26 LYS CG C 25.9408 . . 264 26 26 LYS CD C 29.6511 . . 265 26 26 LYS CE C 41.6473 . . 266 26 26 LYS N N 116.4848 . . 267 27 27 THR H H 8.1949 . . 268 27 27 THR HA H 3.9464 . . 269 27 27 THR HB H 4.3557 . . 270 27 27 THR HG2 H 1.1491 . . 271 27 27 THR C C 176.3251 . . 272 27 27 THR CA C 66.9461 . . 273 27 27 THR CB C 68.6789 . . 274 27 27 THR CG2 C 20.8303 . . 275 27 27 THR N N 116.2999 . . 276 28 28 LEU H H 8.3561 . . 277 28 28 LEU HA H 3.9432 . . 278 28 28 LEU HB2 H 1.5046 . . 279 28 28 LEU HB3 H 1.8195 . . 280 28 28 LEU HG H 1.6403 . . 281 28 28 LEU HD1 H 0.8146 . . 282 28 28 LEU HD2 H 0.8343 . . 283 28 28 LEU C C 178.1285 . . 284 28 28 LEU CA C 57.8031 . . 285 28 28 LEU CB C 41.6845 . . 286 28 28 LEU CG C 27.7132 . . 287 28 28 LEU CD1 C 25.5258 . . 288 28 28 LEU CD2 C 26.93 . . 289 28 28 LEU N N 121.1301 . . 290 29 29 ALA H H 8.4223 . . 291 29 29 ALA HA H 3.7197 . . 292 29 29 ALA HB H 1.2569 . . 293 29 29 ALA C C 178.3191 . . 294 29 29 ALA CA C 56.294 . . 295 29 29 ALA CB C 17.2342 . . 296 29 29 ALA N N 119.2147 . . 297 30 30 ASN H H 7.4502 . . 298 30 30 ASN HA H 4.5057 . . 299 30 30 ASN HB2 H 2.889 . . 300 30 30 ASN HB3 H 3.0476 . . 301 30 30 ASN C C 177.421 . . 302 30 30 ASN CA C 56.1467 . . 303 30 30 ASN CB C 39.2139 . . 304 30 30 ASN N N 113.5341 . . 305 31 31 ILE H H 7.9914 . . 306 31 31 ILE HA H 3.9339 . . 307 31 31 ILE HB H 1.9274 . . 308 31 31 ILE HG12 H 1.1354 . . 309 31 31 ILE HG13 H 1.6292 . . 310 31 31 ILE HG2 H 0.9036 . . 311 31 31 ILE HD1 H 0.7817 . . 312 31 31 ILE C C 178.5427 . . 313 31 31 ILE CA C 65.0688 . . 314 31 31 ILE CB C 38.5891 . . 315 31 31 ILE CG1 C 27.8688 . . 316 31 31 ILE CG2 C 17.7186 . . 317 31 31 ILE CD1 C 13.9803 . . 318 31 31 ILE N N 119.9377 . . 319 32 32 LEU H H 8.6089 . . 320 32 32 LEU HA H 4.183 . . 321 32 32 LEU HB2 H 1.6866 . . 322 32 32 LEU HB3 H 1.762 . . 323 32 32 LEU HG H 2.0111 . . 324 32 32 LEU HD1 H 0.7246 . . 325 32 32 LEU HD2 H 0.7026 . . 326 32 32 LEU C C 177.8521 . . 327 32 32 LEU CA C 58.5017 . . 328 32 32 LEU CB C 40.6051 . . 329 32 32 LEU CG C 26.7202 . . 330 32 32 LEU CD1 C 23.9624 . . 331 32 32 LEU CD2 C 26.8417 . . 332 32 32 LEU N N 119.4922 . . 333 33 33 GLU H H 7.4566 . . 334 33 33 GLU HA H 4.2027 . . 335 33 33 GLU HB2 H 2.1036 . . 336 33 33 GLU HB3 H 2.2297 . . 337 33 33 GLU HG2 H 2.3163 . . 338 33 33 GLU HG3 H 2.4193 . . 339 33 33 GLU C C 177.081 . . 340 33 33 GLU CA C 57.9744 . . 341 33 33 GLU CB C 30.3688 . . 342 33 33 GLU CG C 35.9329 . . 343 33 33 GLU N N 114.0454 . . 344 34 34 LYS H H 7.6493 . . 345 34 34 LYS HA H 4.4061 . . 346 34 34 LYS HB2 H 1.9178 . . 347 34 34 LYS HB3 H 1.9178 . . 348 34 34 LYS HG2 H 1.4865 . . 349 34 34 LYS HG3 H 1.5104 . . 350 34 34 LYS HD2 H 1.6864 . . 351 34 34 LYS HD3 H 1.6864 . . 352 34 34 LYS HE2 H 3.0111 . . 353 34 34 LYS HE3 H 3.0111 . . 354 34 34 LYS C C 177.9072 . . 355 34 34 LYS CA C 57.3991 . . 356 34 34 LYS CB C 33.7707 . . 357 34 34 LYS CG C 25.2334 . . 358 34 34 LYS CD C 28.5433 . . 359 34 34 LYS CE C 42.1065 . . 360 34 34 LYS N N 115.8966 . . 361 35 35 GLU H H 8.7861 . . 362 35 35 GLU HA H 4.2797 . . 363 35 35 GLU HB2 H 1.5661 . . 364 35 35 GLU HB3 H 1.9095 . . 365 35 35 GLU HG2 H 2.1988 . . 366 35 35 GLU HG3 H 2.1988 . . 367 35 35 GLU C C 176.8343 . . 368 35 35 GLU CA C 57.7491 . . 369 35 35 GLU CB C 30.0033 . . 370 35 35 GLU CG C 36.2711 . . 371 35 35 GLU N N 117.7801 . . 372 36 36 PHE H H 7.3947 . . 373 36 36 PHE HA H 4.7891 . . 374 36 36 PHE HB2 H 3.057 . . 375 36 36 PHE HB3 H 3.6204 . . 376 36 36 PHE C C 174.8459 . . 377 36 36 PHE CA C 56.4821 . . 378 36 36 PHE CB C 40.1149 . . 379 36 36 PHE N N 116.1568 . . 380 37 37 LYS H H 7.4429 . . 381 37 37 LYS HA H 4.2113 . . 382 37 37 LYS HB2 H 1.6835 . . 383 37 37 LYS HB3 H 1.9138 . . 384 37 37 LYS HG2 H 1.3151 . . 385 37 37 LYS HG3 H 1.5217 . . 386 37 37 LYS HD2 H 1.7551 . . 387 37 37 LYS HD3 H 1.7551 . . 388 37 37 LYS HE2 H 3.0565 . . 389 37 37 LYS HE3 H 3.0565 . . 390 37 37 LYS C C 178.6718 . . 391 37 37 LYS CA C 58.5724 . . 392 37 37 LYS CB C 31.9623 . . 393 37 37 LYS CG C 24.1968 . . 394 37 37 LYS CD C 29.3284 . . 395 37 37 LYS CE C 41.8899 . . 396 37 37 LYS N N 121.4493 . . 397 38 38 GLY H H 9.2674 . . 398 38 38 GLY HA2 H 4.0917 . . 399 38 38 GLY HA3 H 4.182 . . 400 38 38 GLY C C 174.4777 . . 401 38 38 GLY CA C 45.7468 . . 402 38 38 GLY N N 113.5816 . . 403 39 39 VAL H H 7.8771 . . 404 39 39 VAL HA H 3.9858 . . 405 39 39 VAL HB H 1.8333 . . 406 39 39 VAL HG1 H 0.0883 . . 407 39 39 VAL HG2 H 0.7678 . . 408 39 39 VAL C C 174.7625 . . 409 39 39 VAL CA C 65.1177 . . 410 39 39 VAL CB C 34.1086 . . 411 39 39 VAL CG1 C 20.3777 . . 412 39 39 VAL CG2 C 21.4439 . . 413 39 39 VAL N N 118.6828 . . 414 40 40 TYR H H 8.8255 . . 415 40 40 TYR HA H 5.4924 . . 416 40 40 TYR HB2 H 2.7875 . . 417 40 40 TYR HB3 H 2.9139 . . 418 40 40 TYR C C 177.3468 . . 419 40 40 TYR CA C 56.4977 . . 420 40 40 TYR CB C 42.2759 . . 421 40 40 TYR N N 114.942 . . 422 41 41 ALA H H 8.9281 . . 423 41 41 ALA HA H 4.9029 . . 424 41 41 ALA HB H 1.4847 . . 425 41 41 ALA C C 174.9406 . . 426 41 41 ALA CA C 51.1492 . . 427 41 41 ALA CB C 21.0448 . . 428 41 41 ALA N N 124.8359 . . 429 42 42 LEU H H 7.6393 . . 430 42 42 LEU HA H 5.0769 . . 431 42 42 LEU HB2 H 1.0031 . . 432 42 42 LEU HB3 H 1.035 . . 433 42 42 LEU HG H 1.3086 . . 434 42 42 LEU HD1 H 0.6633 . . 435 42 42 LEU HD2 H 0.7152 . . 436 42 42 LEU C C 172.7793 . . 437 42 42 LEU CA C 53.2023 . . 438 42 42 LEU CB C 45.9687 . . 439 42 42 LEU CG C 27.0658 . . 440 42 42 LEU CD1 C 25.4515 . . 441 42 42 LEU CD2 C 24.2567 . . 442 42 42 LEU N N 122.4123 . . 443 43 43 LYS H H 9.4722 . . 444 43 43 LYS HA H 5.6262 . . 445 43 43 LYS HB2 H 1.17 . . 446 43 43 LYS HB3 H 1.3921 . . 447 43 43 LYS C C 174.7067 . . 448 43 43 LYS CA C 54.0824 . . 449 43 43 LYS CB C 35.8331 . . 450 43 43 LYS CD C 30.5585 . . 451 43 43 LYS N N 130.4768 . . 452 44 44 VAL H H 8.5685 . . 453 44 44 VAL HA H 4.798 . . 454 44 44 VAL HB H 1.9033 . . 455 44 44 VAL HG1 H 0.7139 . . 456 44 44 VAL HG2 H 0.7371 . . 457 44 44 VAL C C 174.8031 . . 458 44 44 VAL CA C 60.9274 . . 459 44 44 VAL CB C 33.3714 . . 460 44 44 VAL CG1 C 22.0078 . . 461 44 44 VAL CG2 C 21.2585 . . 462 44 44 VAL N N 126.6993 . . 463 45 45 ILE H H 8.7551 . . 464 45 45 ILE HA H 4.0117 . . 465 45 45 ILE HB H 1.3131 . . 466 45 45 ILE HG12 H 0.7159 . . 467 45 45 ILE HG13 H 0.8972 . . 468 45 45 ILE HG2 H 0.759 . . 469 45 45 ILE HD1 H 0.2604 . . 470 45 45 ILE C C 173.4374 . . 471 45 45 ILE CA C 59.8447 . . 472 45 45 ILE CB C 41.3567 . . 473 45 45 ILE CG1 C 27.7121 . . 474 45 45 ILE CG2 C 19.2339 . . 475 45 45 ILE CD1 C 14.1333 . . 476 45 45 ILE N N 127.9711 . . 477 46 46 ASP H H 8.7123 . . 478 46 46 ASP HA H 5.224 . . 479 46 46 ASP HB2 H 2.2209 . . 480 46 46 ASP HB3 H 3.0495 . . 481 46 46 ASP C C 178.9803 . . 482 46 46 ASP CA C 51.9088 . . 483 46 46 ASP CB C 41.6517 . . 484 46 46 ASP N N 126.1798 . . 485 47 47 VAL H H 9.4346 . . 486 47 47 VAL HA H 3.8602 . . 487 47 47 VAL HB H 2.3126 . . 488 47 47 VAL HG1 H 0.9289 . . 489 47 47 VAL HG2 H 1.0556 . . 490 47 47 VAL C C 176.823 . . 491 47 47 VAL CA C 63.8831 . . 492 47 47 VAL CB C 31.1093 . . 493 47 47 VAL CG1 C 19.2066 . . 494 47 47 VAL CG2 C 23.0663 . . 495 47 47 VAL N N 122.4669 . . 496 48 48 LEU H H 8.6409 . . 497 48 48 LEU HA H 4.2479 . . 498 48 48 LEU HB2 H 1.527 . . 499 48 48 LEU HB3 H 1.8689 . . 500 48 48 LEU HG H 1.5588 . . 501 48 48 LEU HD1 H 0.8269 . . 502 48 48 LEU HD2 H 0.8482 . . 503 48 48 LEU C C 178.9513 . . 504 48 48 LEU CA C 56.3124 . . 505 48 48 LEU CB C 40.7822 . . 506 48 48 LEU CG C 27.3189 . . 507 48 48 LEU CD1 C 22.0807 . . 508 48 48 LEU CD2 C 25.1791 . . 509 48 48 LEU N N 119.1243 . . 510 49 49 LYS H H 6.9521 . . 511 49 49 LYS HA H 4.3332 . . 512 49 49 LYS HB2 H 1.9511 . . 513 49 49 LYS HB3 H 1.9511 . . 514 49 49 LYS C C 176.27 . . 515 49 49 LYS CA C 55.8531 . . 516 49 49 LYS CB C 33.6723 . . 517 49 49 LYS N N 116.6271 . . 518 50 50 ASN H H 7.581 . . 519 50 50 ASN HA H 5.3163 . . 520 50 50 ASN HB2 H 2.4845 . . 521 50 50 ASN HB3 H 2.7301 . . 522 50 50 ASN C C 172.1959 . . 523 50 50 ASN CA C 51.3765 . . 524 50 50 ASN CB C 40.251 . . 525 50 50 ASN N N 114.8282 . . 526 51 51 PRO HA H 4.4404 . . 527 51 51 PRO HB2 H 2.0271 . . 528 51 51 PRO HB3 H 2.4026 . . 529 51 51 PRO HG2 H 2.0615 . . 530 51 51 PRO HG3 H 2.0615 . . 531 51 51 PRO HD2 H 3.3083 . . 532 51 51 PRO HD3 H 3.7326 . . 533 51 51 PRO C C 179.2174 . . 534 51 51 PRO CA C 65.2332 . . 535 51 51 PRO CB C 31.4451 . . 536 51 51 PRO CG C 27.4091 . . 537 51 51 PRO CD C 50.6638 . . 538 52 52 GLN H H 8.683 . . 539 52 52 GLN HA H 4.217 . . 540 52 52 GLN HB2 H 2.1335 . . 541 52 52 GLN HB3 H 2.1335 . . 542 52 52 GLN HG2 H 2.4158 . . 543 52 52 GLN HG3 H 2.5227 . . 544 52 52 GLN C C 178.3308 . . 545 52 52 GLN CA C 58.5446 . . 546 52 52 GLN CB C 27.3994 . . 547 52 52 GLN CG C 33.8897 . . 548 52 52 GLN N N 118.9879 . . 549 53 53 LEU H H 7.4043 . . 550 53 53 LEU HA H 4.209 . . 551 53 53 LEU HB2 H 1.6499 . . 552 53 53 LEU HB3 H 1.8359 . . 553 53 53 LEU HG H 1.7363 . . 554 53 53 LEU HD1 H 0.889 . . 555 53 53 LEU HD2 H 0.9251 . . 556 53 53 LEU C C 178.4983 . . 557 53 53 LEU CA C 56.9446 . . 558 53 53 LEU CB C 41.4204 . . 559 53 53 LEU CG C 27.2045 . . 560 53 53 LEU CD1 C 22.8763 . . 561 53 53 LEU CD2 C 25.4731 . . 562 53 53 LEU N N 119.8731 . . 563 54 54 ALA H H 7.2194 . . 564 54 54 ALA HA H 3.8463 . . 565 54 54 ALA HB H 1.4156 . . 566 54 54 ALA C C 178.8587 . . 567 54 54 ALA CA C 54.3105 . . 568 54 54 ALA CB C 18.3276 . . 569 54 54 ALA N N 119.7763 . . 570 55 55 GLU H H 7.7022 . . 571 55 55 GLU HA H 4.0589 . . 572 55 55 GLU HB2 H 2.0725 . . 573 55 55 GLU HB3 H 2.0725 . . 574 55 55 GLU HG2 H 2.2166 . . 575 55 55 GLU HG3 H 2.2897 . . 576 55 55 GLU C C 179.8945 . . 577 55 55 GLU CA C 58.8756 . . 578 55 55 GLU CB C 29.5914 . . 579 55 55 GLU CG C 36.1506 . . 580 55 55 GLU N N 117.472 . . 581 56 56 GLU H H 8.0189 . . 582 56 56 GLU HA H 3.9979 . . 583 56 56 GLU HB2 H 2.0605 . . 584 56 56 GLU HB3 H 2.1077 . . 585 56 56 GLU HG2 H 2.2964 . . 586 56 56 GLU HG3 H 2.3585 . . 587 56 56 GLU C C 177.6023 . . 588 56 56 GLU CA C 59.185 . . 589 56 56 GLU CB C 29.6175 . . 590 56 56 GLU CG C 36.1644 . . 591 56 56 GLU N N 120.427 . . 592 57 57 ASP H H 7.4772 . . 593 57 57 ASP HA H 4.7416 . . 594 57 57 ASP HB2 H 2.3771 . . 595 57 57 ASP HB3 H 2.6653 . . 596 57 57 ASP C C 174.5451 . . 597 57 57 ASP CA C 53.9386 . . 598 57 57 ASP CB C 40.2005 . . 599 57 57 ASP N N 116.2804 . . 600 58 58 LYS H H 7.6269 . . 601 58 58 LYS HA H 3.7775 . . 602 58 58 LYS HB2 H 1.7359 . . 603 58 58 LYS HB3 H 1.8993 . . 604 58 58 LYS HG2 H 1.3231 . . 605 58 58 LYS HG3 H 1.3231 . . 606 58 58 LYS HD2 H 1.6047 . . 607 58 58 LYS HD3 H 1.6047 . . 608 58 58 LYS HE2 H 3.0042 . . 609 58 58 LYS HE3 H 3.0042 . . 610 58 58 LYS C C 174.9913 . . 611 58 58 LYS CA C 56.4315 . . 612 58 58 LYS CB C 29.1648 . . 613 58 58 LYS CG C 24.7865 . . 614 58 58 LYS CD C 28.8457 . . 615 58 58 LYS CE C 42.2547 . . 616 58 58 LYS N N 117.5853 . . 617 59 59 ILE H H 7.864 . . 618 59 59 ILE HA H 3.9245 . . 619 59 59 ILE HB H 1.6359 . . 620 59 59 ILE HG12 H -0.0853 . . 621 59 59 ILE HG13 H 0.9574 . . 622 59 59 ILE HG2 H 0.465 . . 623 59 59 ILE HD1 H 0.0818 . . 624 59 59 ILE C C 175.9126 . . 625 59 59 ILE CA C 58.409 . . 626 59 59 ILE CB C 35.4122 . . 627 59 59 ILE CG1 C 25.3813 . . 628 59 59 ILE CG2 C 17.0626 . . 629 59 59 ILE CD1 C 9.2995 . . 630 59 59 ILE N N 119.4722 . . 631 60 60 LEU H H 8.2028 . . 632 60 60 LEU HA H 4.3346 . . 633 60 60 LEU HB2 H 1.5517 . . 634 60 60 LEU HB3 H 1.5517 . . 635 60 60 LEU HG H 1.5232 . . 636 60 60 LEU HD1 H 0.8294 . . 637 60 60 LEU HD2 H 0.7407 . . 638 60 60 LEU C C 176.0836 . . 639 60 60 LEU CA C 54.9819 . . 640 60 60 LEU CB C 43.3069 . . 641 60 60 LEU CG C 27.08 . . 642 60 60 LEU CD1 C 24.9416 . . 643 60 60 LEU CD2 C 23.1058 . . 644 60 60 LEU N N 127.6974 . . 645 61 61 ALA H H 7.6014 . . 646 61 61 ALA HA H 4.5872 . . 647 61 61 ALA HB H 1.2626 . . 648 61 61 ALA C C 175.7764 . . 649 61 61 ALA CA C 51.0996 . . 650 61 61 ALA CB C 21.638 . . 651 61 61 ALA N N 121.2387 . . 652 62 62 THR H H 8.0753 . . 653 62 62 THR HA H 4.5135 . . 654 62 62 THR HB H 4.0527 . . 655 62 62 THR HG2 H 0.8794 . . 656 62 62 THR C C 172.2442 . . 657 62 62 THR CA C 57.9503 . . 658 62 62 THR CB C 70.4587 . . 659 62 62 THR CG2 C 22.6945 . . 660 62 62 THR N N 108.8008 . . 661 63 63 PRO HA H 5.3202 . . 662 63 63 PRO HB2 H 1.9364 . . 663 63 63 PRO HB3 H 2.3035 . . 664 63 63 PRO HG2 H 1.794 . . 665 63 63 PRO HG3 H 1.9393 . . 666 63 63 PRO HD2 H 3.5019 . . 667 63 63 PRO HD3 H 3.5605 . . 668 63 63 PRO C C 176.1172 . . 669 63 63 PRO CA C 62.2475 . . 670 63 63 PRO CB C 34.2962 . . 671 63 63 PRO CG C 24.7386 . . 672 63 63 PRO CD C 50.1878 . . 673 64 64 THR H H 8.2014 . . 674 64 64 THR HA H 4.8258 . . 675 64 64 THR HB H 3.9184 . . 676 64 64 THR HG2 H 1.1215 . . 677 64 64 THR C C 171.4961 . . 678 64 64 THR CA C 62.7327 . . 679 64 64 THR CB C 73.001 . . 680 64 64 THR CG2 C 21.7536 . . 681 64 64 THR N N 116.4553 . . 682 65 65 LEU H H 9.0692 . . 683 65 65 LEU HA H 5.4631 . . 684 65 65 LEU HB2 H 1.2195 . . 685 65 65 LEU HB3 H 1.9316 . . 686 65 65 LEU HG H 1.3528 . . 687 65 65 LEU HD1 H 0.8051 . . 688 65 65 LEU HD2 H 0.7039 . . 689 65 65 LEU C C 173.7514 . . 690 65 65 LEU CA C 53.166 . . 691 65 65 LEU CB C 46.3677 . . 692 65 65 LEU CG C 27.0446 . . 693 65 65 LEU CD1 C 24.6473 . . 694 65 65 LEU CD2 C 26.2508 . . 695 65 65 LEU N N 129.8206 . . 696 66 66 ALA H H 9.6077 . . 697 66 66 ALA HA H 5.3333 . . 698 66 66 ALA HB H 1.2982 . . 699 66 66 ALA C C 175.4183 . . 700 66 66 ALA CA C 50.2571 . . 701 66 66 ALA CB C 22.7234 . . 702 66 66 ALA N N 128.0342 . . 703 67 67 LYS H H 9.0029 . . 704 67 67 LYS HA H 4.7113 . . 705 67 67 LYS HB2 H 1.6265 . . 706 67 67 LYS HB3 H 1.7577 . . 707 67 67 LYS HE2 H 2.9899 . . 708 67 67 LYS HE3 H 2.9899 . . 709 67 67 LYS C C 175.2191 . . 710 67 67 LYS CA C 56.366 . . 711 67 67 LYS CB C 32.7304 . . 712 67 67 LYS CE C 42.0121 . . 713 67 67 LYS N N 124.5089 . . 714 68 68 VAL H H 8.5425 . . 715 68 68 VAL HA H 4.5646 . . 716 68 68 VAL HB H 2.1733 . . 717 68 68 VAL HG1 H 0.8475 . . 718 68 68 VAL HG2 H 0.9122 . . 719 68 68 VAL C C 173.2794 . . 720 68 68 VAL CA C 62.0707 . . 721 68 68 VAL CB C 33.0348 . . 722 68 68 VAL CG1 C 19.7781 . . 723 68 68 VAL CG2 C 21.9498 . . 724 68 68 VAL N N 120.2745 . . 725 69 69 LEU H H 7.3459 . . 726 69 69 LEU HA H 4.4502 . . 727 69 69 LEU HB2 H 1.5801 . . 728 69 69 LEU HG H 1.5726 . . 729 69 69 LEU HD1 H 0.9709 . . 730 69 69 LEU HD2 H 1.0051 . . 731 69 69 LEU C C 175.2668 . . 732 69 69 LEU CA C 52.3617 . . 733 69 69 LEU CB C 46.1676 . . 734 69 69 LEU CG C 27.1099 . . 735 69 69 LEU CD1 C 25.5091 . . 736 69 69 LEU CD2 C 24.098 . . 737 69 69 LEU N N 119.5725 . . 738 70 70 PRO HA H 4.7483 . . 739 70 70 PRO HB2 H 2.0288 . . 740 70 70 PRO HB3 H 2.3599 . . 741 70 70 PRO HG2 H 1.8803 . . 742 70 70 PRO HG3 H 1.8803 . . 743 70 70 PRO HD2 H 3.5646 . . 744 70 70 PRO HD3 H 3.5646 . . 745 70 70 PRO CA C 61.9082 . . 746 70 70 PRO CB C 32.3482 . . 747 70 70 PRO CG C 25.1861 . . 748 70 70 PRO CD C 49.8839 . . 749 71 71 PRO HA H 4.1524 . . 750 71 71 PRO HB2 H 1.9337 . . 751 71 71 PRO HB3 H 2.4153 . . 752 71 71 PRO HG2 H 2.0419 . . 753 71 71 PRO HG3 H 2.0823 . . 754 71 71 PRO HD2 H 3.6069 . . 755 71 71 PRO HD3 H 3.7626 . . 756 71 71 PRO CA C 62.0321 . . 757 71 71 PRO CB C 30.3019 . . 758 71 71 PRO CG C 27.3399 . . 759 71 71 PRO CD C 50.0406 . . 760 72 72 PRO HA H 4.615 . . 761 72 72 PRO HB2 H 2.0558 . . 762 72 72 PRO HB3 H 2.3839 . . 763 72 72 PRO HG2 H 1.6972 . . 764 72 72 PRO HG3 H 1.9324 . . 765 72 72 PRO HD2 H 3.4218 . . 766 72 72 PRO HD3 H 3.495 . . 767 72 72 PRO C C 175.8855 . . 768 72 72 PRO CA C 61.5743 . . 769 72 72 PRO CB C 35.2404 . . 770 72 72 PRO CG C 24.506 . . 771 72 72 PRO CD C 50.5415 . . 772 73 73 VAL H H 8.3658 . . 773 73 73 VAL HA H 4.5227 . . 774 73 73 VAL HB H 1.9978 . . 775 73 73 VAL HG1 H 0.9518 . . 776 73 73 VAL HG2 H 0.9117 . . 777 73 73 VAL C C 176.8356 . . 778 73 73 VAL CA C 63.046 . . 779 73 73 VAL CB C 31.5106 . . 780 73 73 VAL CG1 C 23.7573 . . 781 73 73 VAL CG2 C 21.3575 . . 782 73 73 VAL N N 121.2163 . . 783 74 74 ARG H H 8.6093 . . 784 74 74 ARG HA H 4.7935 . . 785 74 74 ARG HB2 H 1.693 . . 786 74 74 ARG HB3 H 1.784 . . 787 74 74 ARG HG2 H 1.6537 . . 788 74 74 ARG HG3 H 1.6537 . . 789 74 74 ARG HD2 H 3.1268 . . 790 74 74 ARG HD3 H 3.2792 . . 791 74 74 ARG C C 174.9766 . . 792 74 74 ARG CA C 54.0001 . . 793 74 74 ARG CB C 34.0853 . . 794 74 74 ARG CG C 26.6475 . . 795 74 74 ARG CD C 43.1798 . . 796 74 74 ARG N N 125.8685 . . 797 75 75 ARG H H 8.7104 . . 798 75 75 ARG HA H 4.7559 . . 799 75 75 ARG HB2 H 1.6528 . . 800 75 75 ARG HB3 H 1.756 . . 801 75 75 ARG HG2 H 1.6284 . . 802 75 75 ARG HG3 H 1.6284 . . 803 75 75 ARG HD2 H 3.1353 . . 804 75 75 ARG HD3 H 3.244 . . 805 75 75 ARG C C 175.1176 . . 806 75 75 ARG CA C 55.7112 . . 807 75 75 ARG CB C 31.9265 . . 808 75 75 ARG CG C 27.4653 . . 809 75 75 ARG CD C 43.2681 . . 810 75 75 ARG N N 123.31 . . 811 76 76 ILE H H 8.8872 . . 812 76 76 ILE HA H 4.3199 . . 813 76 76 ILE HB H 1.8103 . . 814 76 76 ILE HG12 H 1.1696 . . 815 76 76 ILE HG13 H 1.324 . . 816 76 76 ILE HG2 H 0.7817 . . 817 76 76 ILE HD1 H 0.6903 . . 818 76 76 ILE C C 174.696 . . 819 76 76 ILE CA C 60.5964 . . 820 76 76 ILE CB C 38.7979 . . 821 76 76 ILE CG1 C 27.8177 . . 822 76 76 ILE CG2 C 17.6946 . . 823 76 76 ILE CD1 C 13.2105 . . 824 76 76 ILE N N 124.9498 . . 825 77 77 ILE H H 8.1592 . . 826 77 77 ILE HA H 4.4737 . . 827 77 77 ILE HB H 1.824 . . 828 77 77 ILE HG12 H 1.1784 . . 829 77 77 ILE HG13 H 1.4422 . . 830 77 77 ILE HG2 H 0.8353 . . 831 77 77 ILE HD1 H 0.8208 . . 832 77 77 ILE C C 175.5214 . . 833 77 77 ILE CA C 60.4921 . . 834 77 77 ILE CB C 39.775 . . 835 77 77 ILE CG1 C 27.3624 . . 836 77 77 ILE CG2 C 17.6776 . . 837 77 77 ILE CD1 C 13.7218 . . 838 77 77 ILE N N 124.584 . . 839 78 78 GLY H H 8.0846 . . 840 78 78 GLY HA2 H 3.8734 . . 841 78 78 GLY HA3 H 4.1285 . . 842 78 78 GLY C C 172.3384 . . 843 78 78 GLY CA C 44.5848 . . 844 78 78 GLY N N 112.0311 . . 845 79 79 ASP HA H 4.5233 . . 846 79 79 ASP HB2 H 2.6518 . . 847 79 79 ASP HB3 H 2.7682 . . 848 79 79 ASP C C 176.567 . . 849 79 79 ASP CA C 53.9657 . . 850 79 79 ASP CB C 40.9982 . . 851 80 80 LEU H H 8.2212 . . 852 80 80 LEU HA H 4.0582 . . 853 80 80 LEU HB2 H 1.5577 . . 854 80 80 LEU HB3 H 1.6705 . . 855 80 80 LEU HG H 1.6837 . . 856 80 80 LEU HD1 H 0.6817 . . 857 80 80 LEU HD2 H 0.7501 . . 858 80 80 LEU C C 175.2658 . . 859 80 80 LEU CA C 54.8597 . . 860 80 80 LEU CB C 41.0812 . . 861 80 80 LEU CG C 27.0281 . . 862 80 80 LEU CD1 C 23.3065 . . 863 80 80 LEU CD2 C 26.6838 . . 864 80 80 LEU N N 123.2518 . . 865 81 81 SER H H 7.9855 . . 866 81 81 SER HA H 4.3168 . . 867 81 81 SER HB2 H 3.755 . . 868 81 81 SER HB3 H 3.9549 . . 869 81 81 SER C C 174.0683 . . 870 81 81 SER CA C 59.1078 . . 871 81 81 SER CB C 64.0153 . . 872 81 81 SER N N 109.9025 . . 873 82 82 ASN H H 7.5229 . . 874 82 82 ASN HA H 4.7905 . . 875 82 82 ASN HB2 H 2.6744 . . 876 82 82 ASN HB3 H 3.0867 . . 877 82 82 ASN C C 174.2909 . . 878 82 82 ASN CA C 52.0347 . . 879 82 82 ASN CB C 39.0608 . . 880 82 82 ASN N N 120.7448 . . 881 83 83 ARG HA H 3.6266 . . 882 83 83 ARG HB2 H 1.7951 . . 883 83 83 ARG HB3 H 1.9213 . . 884 83 83 ARG HG2 H 1.4299 . . 885 83 83 ARG HG3 H 1.5654 . . 886 83 83 ARG HD2 H 3.1294 . . 887 83 83 ARG HD3 H 3.1294 . . 888 83 83 ARG C C 176.8232 . . 889 83 83 ARG CA C 60.1674 . . 890 83 83 ARG CB C 30.4785 . . 891 83 83 ARG CG C 27.71 . . 892 83 83 ARG CD C 43.3085 . . 893 84 84 GLU H H 8.1569 . . 894 84 84 GLU HA H 3.9888 . . 895 84 84 GLU HB2 H 2.0641 . . 896 84 84 GLU HB3 H 2.1462 . . 897 84 84 GLU HG2 H 2.3246 . . 898 84 84 GLU HG3 H 2.3246 . . 899 84 84 GLU C C 178.853 . . 900 84 84 GLU CA C 60.082 . . 901 84 84 GLU CB C 29.2801 . . 902 84 84 GLU CG C 36.8263 . . 903 84 84 GLU N N 116.8724 . . 904 85 85 LYS H H 7.6346 . . 905 85 85 LYS HA H 4.0375 . . 906 85 85 LYS HB2 H 1.9101 . . 907 85 85 LYS HB3 H 1.9101 . . 908 85 85 LYS HG2 H 1.4197 . . 909 85 85 LYS HG3 H 1.5834 . . 910 85 85 LYS HD2 H 1.5964 . . 911 85 85 LYS HD3 H 1.7178 . . 912 85 85 LYS HE2 H 2.9973 . . 913 85 85 LYS HE3 H 2.9973 . . 914 85 85 LYS C C 179.7822 . . 915 85 85 LYS CA C 58.9361 . . 916 85 85 LYS CB C 32.4757 . . 917 85 85 LYS CG C 25.7429 . . 918 85 85 LYS CD C 29.0022 . . 919 85 85 LYS CE C 42.0927 . . 920 85 85 LYS N N 117.1452 . . 921 86 86 VAL H H 7.966 . . 922 86 86 VAL HA H 3.4704 . . 923 86 86 VAL HB H 2.0037 . . 924 86 86 VAL C C 177.0536 . . 925 86 86 VAL CA C 66.7647 . . 926 86 86 VAL CB C 31.3687 . . 927 86 86 VAL N N 120.5554 . . 928 87 87 LEU H H 8.3142 . . 929 87 87 LEU HA H 4.022 . . 930 87 87 LEU HB2 H 1.8026 . . 931 87 87 LEU HB3 H 1.8616 . . 932 87 87 LEU HG H 1.7628 . . 933 87 87 LEU HD1 H 0.9643 . . 934 87 87 LEU C C 179.0631 . . 935 87 87 LEU CA C 59.2601 . . 936 87 87 LEU CB C 42.1346 . . 937 87 87 LEU CG C 27.5718 . . 938 87 87 LEU CD1 C 25.1273 . . 939 87 87 LEU N N 120.2131 . . 940 88 88 ILE H H 7.6991 . . 941 88 88 ILE HA H 3.7081 . . 942 88 88 ILE HB H 1.8881 . . 943 88 88 ILE HG12 H 1.2323 . . 944 88 88 ILE HG13 H 1.8119 . . 945 88 88 ILE HG2 H 0.9704 . . 946 88 88 ILE HD1 H 0.9004 . . 947 88 88 ILE C C 178.0864 . . 948 88 88 ILE CA C 65.0683 . . 949 88 88 ILE CB C 38.2693 . . 950 88 88 ILE CG1 C 29.3735 . . 951 88 88 ILE CG2 C 17.173 . . 952 88 88 ILE CD1 C 13.3309 . . 953 88 88 ILE N N 117.5595 . . 954 89 89 ALA H H 7.6284 . . 955 89 89 ALA HA H 4.0802 . . 956 89 89 ALA HB H 1.4377 . . 957 89 89 ALA C C 180.4842 . . 958 89 89 ALA CA C 55.3927 . . 959 89 89 ALA CB C 18.049 . . 960 89 89 ALA N N 121.3959 . . 961 90 90 LEU H H 8.441 . . 962 90 90 LEU HA H 3.8659 . . 963 90 90 LEU HB2 H 0.607 . . 964 90 90 LEU HB3 H 1.6877 . . 965 90 90 LEU HG H 1.5689 . . 966 90 90 LEU HD1 H 0.2281 . . 967 90 90 LEU HD2 H 0.3925 . . 968 90 90 LEU C C 179.9597 . . 969 90 90 LEU CA C 57.1945 . . 970 90 90 LEU CB C 41.7817 . . 971 90 90 LEU CG C 26.8443 . . 972 90 90 LEU CD1 C 22.4515 . . 973 90 90 LEU CD2 C 26.4773 . . 974 90 90 LEU N N 116.2535 . . 975 91 91 ARG H H 8.4734 . . 976 91 91 ARG HA H 4.2886 . . 977 91 91 ARG HB2 H 2.0992 . . 978 91 91 ARG HB3 H 2.188 . . 979 91 91 ARG HG2 H 1.8373 . . 980 91 91 ARG HG3 H 2.0309 . . 981 91 91 ARG HD2 H 3.231 . . 982 91 91 ARG HD3 H 3.2713 . . 983 91 91 ARG C C 178.8595 . . 984 91 91 ARG CA C 59.8801 . . 985 91 91 ARG CB C 29.9877 . . 986 91 91 ARG CG C 28.0468 . . 987 91 91 ARG CD C 43.6128 . . 988 91 91 ARG N N 122.7034 . . 989 92 92 LEU H H 8.0307 . . 990 92 92 LEU HA H 4.1571 . . 991 92 92 LEU HB2 H 1.6193 . . 992 92 92 LEU HB3 H 1.9014 . . 993 92 92 LEU HG H 1.8465 . . 994 92 92 LEU HD1 H 0.8957 . . 995 92 92 LEU HD2 H 0.9119 . . 996 92 92 LEU C C 180.4258 . . 997 92 92 LEU CA C 57.9201 . . 998 92 92 LEU CB C 41.5644 . . 999 92 92 LEU CG C 26.9773 . . 1000 92 92 LEU CD1 C 23.3134 . . 1001 92 92 LEU CD2 C 25.2643 . . 1002 92 92 LEU N N 120.5414 . . 1003 93 93 LEU H H 7.8508 . . 1004 93 93 LEU HA H 4.096 . . 1005 93 93 LEU HB2 H 1.5642 . . 1006 93 93 LEU HB3 H 1.7994 . . 1007 93 93 LEU HG H 1.8612 . . 1008 93 93 LEU HD1 H 0.7542 . . 1009 93 93 LEU C C 178.1756 . . 1010 93 93 LEU CA C 57.2284 . . 1011 93 93 LEU CB C 41.9222 . . 1012 93 93 LEU CG C 26.5731 . . 1013 93 93 LEU CD1 C 24.7923 . . 1014 93 93 LEU N N 118.9456 . . 1015 94 94 ALA H H 7.7224 . . 1016 94 94 ALA HA H 4.0571 . . 1017 94 94 ALA HB H 1.5879 . . 1018 94 94 ALA C C 179.8475 . . 1019 94 94 ALA CA C 54.483 . . 1020 94 94 ALA CB C 18.1265 . . 1021 94 94 ALA N N 121.1956 . . 1022 95 95 GLU H H 7.7482 . . 1023 95 95 GLU HA H 4.154 . . 1024 95 95 GLU HB2 H 2.163 . . 1025 95 95 GLU HB3 H 2.163 . . 1026 95 95 GLU HG2 H 2.511 . . 1027 95 95 GLU HG3 H 2.511 . . 1028 95 95 GLU C C 177.9897 . . 1029 95 95 GLU CA C 58.2703 . . 1030 95 95 GLU CB C 29.8257 . . 1031 95 95 GLU CG C 36.4724 . . 1032 95 95 GLU N N 117.9204 . . 1033 96 96 GLU H H 7.7909 . . 1034 96 96 GLU HA H 4.2636 . . 1035 96 96 GLU HB2 H 2.1697 . . 1036 96 96 GLU HB3 H 2.1697 . . 1037 96 96 GLU HG2 H 2.2445 . . 1038 96 96 GLU HG3 H 2.3613 . . 1039 96 96 GLU C C 178.0448 . . 1040 96 96 GLU CA C 57.7762 . . 1041 96 96 GLU CB C 30.0923 . . 1042 96 96 GLU CG C 36.5065 . . 1043 96 96 GLU N N 119.3358 . . 1044 97 97 ILE H H 7.8979 . . 1045 97 97 ILE HA H 3.9851 . . 1046 97 97 ILE HB H 1.9286 . . 1047 97 97 ILE HG2 H 0.9028 . . 1048 97 97 ILE C C 177.0537 . . 1049 97 97 ILE CA C 62.9128 . . 1050 97 97 ILE CB C 38.5135 . . 1051 97 97 ILE CG2 C 17.7022 . . 1052 97 97 ILE N N 118.4743 . . 1053 98 98 GLY H H 7.9212 . . 1054 98 98 GLY HA2 H 3.9367 . . 1055 98 98 GLY HA3 H 3.9367 . . 1056 98 98 GLY C C 173.7108 . . 1057 98 98 GLY CA C 45.7105 . . 1058 98 98 GLY N N 108.6561 . . 1059 99 99 ASP H H 7.8685 . . 1060 99 99 ASP HA H 4.684 . . 1061 99 99 ASP HB2 H 2.5595 . . 1062 99 99 ASP HB3 H 2.6888 . . 1063 99 99 ASP C C 175.7431 . . 1064 99 99 ASP CA C 54.0531 . . 1065 99 99 ASP CB C 41.4653 . . 1066 99 99 ASP N N 119.9942 . . 1067 100 100 TYR H H 7.873 . . 1068 100 100 TYR HA H 4.4931 . . 1069 100 100 TYR HB2 H 3.0206 . . 1070 100 100 TYR HB3 H 3.0206 . . 1071 100 100 TYR C C 175.309 . . 1072 100 100 TYR CA C 58.2176 . . 1073 100 100 TYR CB C 38.7843 . . 1074 100 100 TYR N N 120.9064 . . 1075 101 101 LYS H H 7.9356 . . 1076 101 101 LYS HA H 4.3332 . . 1077 101 101 LYS HB2 H 1.679 . . 1078 101 101 LYS HB3 H 1.7837 . . 1079 101 101 LYS HG2 H 1.3706 . . 1080 101 101 LYS HG3 H 1.3706 . . 1081 101 101 LYS C C 175.5349 . . 1082 101 101 LYS CA C 55.635 . . 1083 101 101 LYS CB C 33.6889 . . 1084 101 101 LYS CG C 24.4712 . . 1085 101 101 LYS N N 124.228 . . 1086 102 102 ASP H H 8.1509 . . 1087 102 102 ASP C C 175.9952 . . 1088 102 102 ASP CA C 54.4722 . . 1089 102 102 ASP CB C 41.6258 . . 1090 102 102 ASP N N 121.8701 . . stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details ; Residue numbering for CikA is offset by 612. For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. Residue numbering for KaiB is offset by 200. For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list. ; loop_ _Software_label $software_3 stop_ _Experiment_label '15N, 13C edited 4D NOESY-HSQC' _Number_of_spectral_dimensions 4 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 N N 3 H H-aliphatic 4 C C-aliphatic stop_ _Sample_label $sample_5 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 30093 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 5 >> _Spectral_peak_list.Sample_label $sample_5 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 6 >> _Spectral_peak_list.Experiment_name '15N, 13C edited 4D NOESY-HSQC' >> _Spectral_peak_list.Number_of_spectral_dimensions 4 >> _Spectral_peak_list.Details >>; >>Residue numbering for CikA is offset by 612. >>For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. >> >>Residue numbering for KaiB is offset by 200. >>For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list. >>; >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># pipp Peak Pick Table, File: a.PCK >># Path: /mnt/hgfs/Desktop/data/xipp_assignment_50C_complex/nmr_data_ThCikA_complex/4D-N15-C13-internoe-noesy_redo >># User: yonggang >># Date: Fri Jul 17 19:54:23 2015 >> >># >># Input Parameters: >># DATA DIMCOUNT 4 >># DATA X_AXIS 128 4809.06 601.13 3928.403 PPM 0.01 >># DATA Y_AXIS 512 3605.77 601.13 6331.907 PPM 0.01 >># DATA Z_AXIS 32 3023.21 151.16 8011.198 PPM 0.63 >># DATA A_AXIS 32 1583.90 60.92 8062.662 PPM 0.08 >># HZ_START_X: -1.4PPM HZ_END_X: 6.53PPM >># HZ_START_Y: 4.5PPM HZ_END_Y: 10.53PPM >># SLICE_START_Z: 0 SLICE_END_Z: 32 >># SLICE_START_A: 0 SLICE_END_A: 32 >># PK_X_DEV: 10.0, PK_Y_DEV: 10.0; PK_MIN_LEVALS: 2 >># MAX_PARAB_XDEV: 36.07, MAX_PARAB_YDEV: 240.45 >># MIN_UNIQUE_X: 28.18; MIN_UNIQUE_Y: 5.28; MIN_UNIQUE_Z: 70.86; MIN_UNIQUE_A: 37.12 >># >>FORMAT %4d %3d %3d %7.2f %7.2f %7.2f %7.2f %+8.2e %s %s >>VARS PkID Sl.A Sl.Z X Y Z A Intensity Assign1 Assign2 >> 8 19 18 1.11 7.91 42.15 117.88 +8.53e+06 T207.CG2,HG2#; S19.N,HN >> 7 19 20 1.50 7.91 41.05 117.79 +6.86e+06 A241.CB,HB#; S19.N,HN >> 5 22 20 1.47 8.44 41.02 115.30 +5.47e+06 A241.CB,HB#; C18.N,HN >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 HN . 'not observed' 7211.539 Hz 2828.00 . . 30093 1 >> 2 N 15 N . folded 1583.899 Hz 7278.86 . . 30093 1 >> 3 H 1 H-aliphatic . 'not observed' 4809.062 Hz 2828.00 . . 30093 1 >> 4 C 13 C-aliphatic . folded 3023.208 Hz 6121.94 . . 30093 1 >> >> stop_ >> >> loop_ >> _Spectral_peak_software.Software_ID >> _Spectral_peak_software.Software_label >> _Spectral_peak_software.Method_ID >> _Spectral_peak_software.Method_label >> _Spectral_peak_software.Entry_ID >> _Spectral_peak_software.Spectral_peak_list_ID >> >> 3 $software_3 . . 30093 1 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Details ; Residue numbering for CikA is offset by 612. For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. ; loop_ _Software_label $software_3 $software_5 stop_ _Experiment_label '3D 15N edited 1H-15N NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 N N 3 H H-aliphatic stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_2 >> _Spectral_peak_list.Entry_ID 30093 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 16 >> _Spectral_peak_list.Experiment_name '3D 15N edited 1H-15N NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details >>; >>Residue numbering for CikA is offset by 612. >>For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. >>; >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Peak Pick Table, File: n15noesy_v8.PCK >> >># >># Input Parameters: >> DATA DIMCOUNT 3 >> DATA X_AXIS 1024 4807.69 601.13 7534.430 PPM 0.00 >> DATA Y_AXIS 256 5590.54 601.13 5456.492 PPM 0.00 >> DATA Z_AXIS 128 1583.90 60.92 8099.846 PPM 0.00 >># >>FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s >>VARS PkID Sl.Z X Y Z Intensity Assign >> 792 3 7.9022 3.5339 132.5929 +1.52e+07 G108.N,HN; G108.HA2 >> 799 3 7.9043 2.8870 132.5826 +7.25e+06 G108.N,HN; R90.HD2 >> 794 3 7.9041 4.2131 132.5735 +1.43e+07 G108.N,HN; M107.HA >> 793 3 7.9101 4.0138 132.5461 +1.81e+07 G108.N,HN; G108.HA1 >> 800 3 7.9017 2.6196 132.5456 +6.14e+06 G108.N,HN; Q104.HG1 >> 789 3 7.9059 2.0393 132.5433 +1.05e+07 G108.N,HN; M107.HB2 >> 795 3 7.9159 0.7770 132.5349 +4.59e+06 G108.N,HN; L109.HD2# >> 178 6 10.0640 0.8699 131.9529 +1.31e+07 W30.N,HN; I29.HG2# >> 181 6 10.0574 5.1372 131.9386 +1.01e+07 W30.N,HN; I29.HA >> 151 8 7.7732 4.1482 131.6271 +2.09e+07 G25.N,HN; G25.HA1 >> 148 8 7.7655 1.6915 131.6152 +1.93e+07 G25.N,HN; A24.HB# >> 152 8 7.7647 4.4017 131.6054 +1.13e+07 G25.N,HN; A24.HA >> 150 8 7.7682 3.5458 131.5948 +1.77e+07 G25.N,HN; G25.HA2 >> 154 8 7.7664 4.6677 131.5859 +8.69e+06 G25.N,HN; T22.HA >> 848 9 9.1729 0.2625 131.3809 +5.13e+06 L6.N,HN; L6.HD1# >> 37 9 9.1619 5.4014 131.3279 +1.64e+07 L6.N,HN; V5.HA >> 34 9 9.1647 0.9726 131.3189 +3.96e+07 L6.N,HN; V5.HG2# >> 33 9 9.1636 0.7338 131.3026 +1.38e+07 L6.N,HN; L6.HD2# >> 35 9 9.1651 1.6295 131.2809 +9.93e+06 L6.N,HN; L6.HB1 >> 36 9 9.1596 1.7781 131.2671 +9.25e+06 L6.N,HN; L48.HB1 >> 5 13 10.3556 3.3717 130.5777 +6.61e+06 W30.NE1,HE1; S8.HB2 >> 4 13 10.3476 4.5312 130.5468 +6.94e+06 W30.NE1,HE1; V32.HA >> 3 13 10.3483 0.7273 130.5287 +2.72e+07 W30.NE1,HE1; V32.HG2# >> 64 13 9.0717 2.2367 130.5033 +6.69e+06 E11.N,HN; E11.HB1|HB2 >> 845 13 10.3460 4.8939 130.4957 +5.31e+06 W30.NE1,HE1; E9.HA >> 65 14 9.0679 2.4993 130.3681 +6.38e+06 E11.N,HN; E11.HG1 >> 579 16 8.7639 5.5240 129.9868 +7.28e+06 L79.N,HN; L79.HA >> 578 16 8.7522 5.3372 129.9504 +1.34e+07 L79.N,HN; A50.HA >> 917 16 8.7572 1.5823 129.9411 +2.13e+07 L79.N,HN; L79.HB1|HB2 >> 572 16 8.7563 0.6704 129.9376 +1.19e+07 L79.N,HN; I78.HD1# >> 571 16 8.7542 0.8309 129.9349 +1.94e+07 L79.N,HN; L79.HD1#|HD2# >> 573 16 8.7600 1.1833 129.9327 +2.04e+07 L79.N,HN; I78.HG2# >> 576 16 8.7584 1.9815 129.9285 +4.91e+06 L79.N,HN; L49.HB1 >> 577 16 8.7534 5.0413 129.9219 +2.06e+07 L79.N,HN; I78.HA >> 173 20 9.9658 5.0148 129.1533 +7.61e+06 V28.N,HN; Q27.HA >> 170 20 9.9611 0.9305 129.1481 +1.17e+07 V28.N,HN; V28.HG2# >> 862 20 9.9474 1.9825 129.1156 +6.16e+06 V28.N,HN; V28.HB >> 174 21 8.7348 0.9567 128.8782 +3.64e+07 I29.N,HN; V5.HG2# >> 177 21 8.7354 5.0680 128.8442 +2.11e+07 I29.N,HN; V28.HA >> 176 21 8.7352 5.4088 128.8133 +8.30e+06 I29.N,HN; V5.HA >> 214 22 8.4598 1.8780 128.7410 +1.07e+07 V36.N,HN; E35.HB2 >> 213 22 8.4617 2.0410 128.7322 +4.69e+07 V36.N,HN; V36.HB >> 212 22 8.4617 0.9842 128.7206 +4.14e+07 V36.N,HN; V36.HG2# >> 211 22 8.4614 0.8480 128.7156 +2.84e+07 V36.N,HN; V36.HG1# >> 219 22 8.4622 4.3017 128.7150 +4.05e+07 V36.N,HN; E35.HA >> 216 22 8.4604 3.4831 128.7052 +1.51e+07 V36.N,HN; V36.HA >> 215 22 8.4631 2.2537 128.6920 +1.61e+07 V36.N,HN; E35.HG1 >> 44 24 9.0433 1.9248 128.2433 +8.62e+06 V7.N,HN; V7.HB >> 40 24 9.0406 1.4758 128.2291 +8.28e+06 V7.N,HN; A50.HB# >> 38 24 9.0443 0.7050 128.1917 +3.77e+07 V7.N,HN; L6.HD2# >> 45 25 9.0394 5.1508 128.1783 +1.88e+07 V7.N,HN; L6.HA >> 43 25 9.0338 1.7697 128.1445 +5.23e+06 V7.N,HN; L48.HB1 >> 39 25 9.0353 0.2457 128.1427 +6.04e+06 V7.N,HN; L6.HD1# >> 46 25 9.0371 4.8927 128.1240 +5.85e+06 V7.N,HN; L49.HA >> 42 25 9.0563 0.9903 128.1090 +5.69e+06 V7.N,HN; V5.HG1# >> 314 25 9.3604 1.5810 128.0843 +1.66e+07 L48.N,HN; L48.HG >> 313 25 9.3663 1.3923 128.0676 +9.77e+06 L48.N,HN; L48.HB2 >> 310 25 9.3607 0.8180 128.0586 +4.23e+07 L48.N,HN; V47.HG2# >> 311 25 9.3598 0.7165 128.0519 +3.59e+07 L48.N,HN; L48.HD1# >> 315 25 9.3597 1.7747 128.0508 +1.49e+07 L48.N,HN; L48.HB1 >> 316 25 9.3624 5.0414 128.0449 +3.19e+07 L48.N,HN; V47.HA >> 312 25 9.3565 0.9783 128.0429 +1.27e+07 L48.N,HN; V5.HG1# >> 395 26 8.1721 2.5870 127.8988 +7.55e+06 V58.N,HN; D57.HB2 >> 396 26 8.1738 2.7780 127.8949 +8.46e+06 V58.N,HN; D57.HB1 >> 397 26 8.1753 3.3151 127.8568 +2.09e+07 V58.N,HN; V58.HA >> 391 26 8.1771 -0.0884 127.8561 +2.69e+07 V58.N,HN; V58.HG1# >> 393 26 8.1765 1.1895 127.8513 +4.52e+07 V58.N,HN; V58.HB >> 392 26 8.1764 0.2390 127.8465 +4.89e+07 V58.N,HN; V58.HG2# >> 398 26 8.1764 4.6056 127.8373 +6.88e+07 V58.N,HN; D57.HA >> 703 28 8.7286 1.6537 127.4073 +9.68e+06 H97.N,HN; I96.HB >> 704 28 8.7348 3.2872 127.3876 +1.13e+07 H97.N,HN; H97.HB1 >> 705 28 8.7356 3.1200 127.3826 +1.31e+07 H97.N,HN; H97.HB2 >> 699 29 8.7338 0.4121 127.3691 +1.65e+07 H97.N,HN; I96.HG2# >> 706 29 8.7366 4.0497 127.3671 +3.22e+07 H97.N,HN; I96.HA >> 701 29 8.7339 1.0432 127.3597 +1.17e+07 H97.N,HN; I92.HG2# >> 698 29 8.7335 0.2211 127.2367 +9.37e+06 H97.N,HN; I96.HD1# >> 542 31 7.7742 4.9344 126.9079 +7.56e+06 K75.N,HN; K75.HA >> 913 31 7.7759 1.2823 126.8872 +7.64e+06 K75.N,HN; K75.HB2 >> 545 31 7.7622 5.3793 126.8829 +8.06e+06 K75.N,HN; A46.HA >> 543 31 7.7597 4.4707 126.8740 +2.44e+07 K75.N,HN; L74.HA >> 538 31 7.7557 0.6629 126.8705 +2.56e+07 K75.N,HN; L74.HD1# >> 865 31 9.8545 1.7244 126.8679 +7.02e+06 L31.N,HN; L31.HB2 >> 184 31 9.8595 4.7609 126.8671 +5.50e+06 L31.N,HN; L31.HA >> 541 31 7.7549 3.0969 126.8663 +5.15e+06 K75.N,HN; K75.HE1 >> 182 31 9.8615 0.9792 126.8630 +7.97e+06 L31.N,HN; V5.HG1# >> 912 31 7.7621 1.5393 126.8594 +1.68e+07 K75.N,HN; K75.HG1|HG2 >> 539 31 7.7583 1.0134 126.8561 +1.35e+07 K75.N,HN; A46.HB# >> 540 31 7.7600 1.7588 126.8553 +6.94e+06 K75.N,HN; K75.HD1 >> 183 31 9.8554 0.8257 126.8524 +1.24e+07 L31.N,HN; L31.HD1# >> 185 32 9.8548 5.9065 126.7515 +8.49e+06 L31.N,HN; W30.HA >> 553 32 9.1384 2.6826 126.6874 +7.90e+06 F77.N,HN; F77.HB2 >> 677 32 9.4243 4.6023 126.6677 +6.81e+06 I92.N,HN; I92.HA >> 551 32 9.1156 1.5277 126.6514 +8.38e+06 F77.N,HN; L49.HG >> 674 32 9.4092 2.8959 126.6453 +8.53e+06 I92.N,HN; Y91.HB2 >> 549 32 9.1340 0.6901 126.6440 +4.11e+07 F77.N,HN; I76.HG2# >> 665 32 9.4073 1.0499 126.6434 +1.46e+07 I92.N,HN; I92.HG2# >> 675 32 9.4106 5.5366 126.6417 +9.94e+06 I92.N,HN; L79.HA >> 554 32 9.1360 4.6129 126.6288 +2.43e+07 F77.N,HN; I76.HA >> 550 32 9.1344 0.8181 126.6219 +2.28e+07 F77.N,HN; V47.HG2# >> 667 32 9.4108 1.3693 126.6168 +1.11e+07 I92.N,HN; I92.HG11 >> 552 32 9.1232 1.7364 126.6152 +6.13e+06 F77.N,HN; I78.HB >> 663 32 9.4088 0.4435 126.6137 +1.20e+07 I92.N,HN; I92.HD1# >> 555 32 9.1314 5.0901 126.6107 +7.62e+06 F77.N,HN; L48.HA >> 557 32 9.1256 5.6679 126.6040 +5.94e+06 F77.N,HN; F77.HA >> 669 32 9.4146 1.8617 126.5865 +1.34e+07 I92.N,HN; I92.HB >> 668 32 9.4075 1.5849 126.5783 +5.38e+06 I92.N,HN; L79.HB1|HB2 >> 676 32 9.4118 5.3116 126.5778 +2.39e+07 I92.N,HN; Y91.HA >> 664 32 9.4093 0.8343 126.5673 +1.40e+07 I92.N,HN; L79.HD1#|HD2# >> 333 37 8.3241 4.8857 125.6959 +2.32e+07 A50.N,HN; L49.HA >> 328 37 8.3223 1.4671 125.6947 +3.60e+07 A50.N,HN; A50.HB# >> 331 37 8.3272 5.3207 125.6927 +7.99e+06 A50.N,HN; A50.HA >> 326 37 8.3237 0.7064 125.6859 +2.69e+07 A50.N,HN; L49.HD1# >> 329 37 8.3311 1.9217 125.6689 +9.11e+06 A50.N,HN; V7.HB >> 327 37 8.3188 0.8297 125.6479 +1.50e+07 A50.N,HN; L79.HD1#|HD2# >> 332 37 8.3178 5.0750 125.6346 +6.81e+06 A50.N,HN; V7.HA >> 20 37 9.1699 1.5166 125.5715 +1.01e+07 I4.N,HN; I4.HB >> 17 38 9.1643 0.5770 125.5231 +8.54e+06 I4.N,HN; I4.HG2# >> 24 38 9.1737 5.3254 125.5204 +2.08e+07 I4.N,HN; R3.HA >> 22 38 9.1952 4.6713 125.5174 +6.73e+06 I4.N,HN; I4.HA >> 18 38 9.1680 0.9073 125.5142 +1.39e+07 I4.N,HN; I4.HG11 >> 19 38 9.1532 1.2865 125.4948 +6.68e+06 I4.N,HN; I4.HG12 >> 23 38 9.1645 5.0802 125.4936 +6.83e+06 I4.N,HN; V28.HA >> 643 39 8.8742 2.6885 125.2540 +7.55e+06 D89.N,HN; D89.HB1 >> 642 39 8.8727 0.7098 125.2405 +1.81e+07 D89.N,HN; V88.HG2# >> 641 39 8.8783 0.4444 125.2403 +1.70e+07 D89.N,HN; V88.HG1# >> 645 39 8.8782 3.7919 125.2318 +1.86e+07 D89.N,HN; V88.HA >> 646 39 8.8808 4.6514 125.2164 +1.50e+07 D89.N,HN; D89.HA >> 644 39 8.8808 2.3707 125.2124 +6.51e+06 D89.N,HN; D89.HB2 >> 25 40 8.1175 0.1039 125.0903 +5.90e+06 V5.N,HN; I4.HD1# >> 31 40 8.1161 5.0698 125.0882 +8.98e+06 V5.N,HN; V28.HA >> 32 40 8.1143 4.6568 125.0756 +2.35e+07 V5.N,HN; I4.HA >> 28 40 8.1146 0.9815 125.0747 +3.69e+07 V5.N,HN; V5.HG2# >> 26 40 8.1184 0.5821 125.0658 +2.86e+07 V5.N,HN; I4.HG2# >> 29 40 8.1152 1.8374 125.0619 +1.83e+07 V5.N,HN; V5.HB >> 27 40 8.1142 0.8409 125.0496 +2.40e+07 V5.N,HN; V47.HG2# >> 833 42 8.2551 1.4324 124.6281 +6.58e+07 A113.N,HN; A113.HB# >> 835 42 8.2545 4.4099 124.6227 +9.79e+07 A113.N,HN; A113.HA >> 834 42 8.2556 1.6488 124.6178 +2.56e+07 A113.N,HN; L112.HB1|HB2 >> 831 42 8.2516 0.8962 124.6070 +1.11e+07 A113.N,HN; L112.HD1# >> 625 43 9.1972 2.8994 124.5155 +1.05e+07 Q86.N,HN; Y85.HB1 >> 626 43 9.1972 4.4872 124.4991 +1.32e+07 Q86.N,HN; Q86.HA >> 923 43 9.1992 2.0657 124.4821 +4.16e+07 Q86.N,HN; Q86.HB1 >> 622 43 9.1987 2.3989 124.4763 +5.40e+07 Q86.N,HN; Q86.HG1|HG2 >> 627 43 9.1987 4.6279 124.4752 +4.97e+07 Q86.N,HN; Y85.HA >> 620 43 9.1942 0.8979 124.4440 +6.43e+06 Q86.N,HN; V62.HG1# >> 325 43 8.8139 4.6335 124.4383 +6.37e+06 L49.N,HN; I76.HA >> 624 43 9.1959 2.6762 124.4365 +9.04e+06 Q86.N,HN; Y85.HB2 >> 879 43 8.8165 1.5689 124.4356 +2.09e+07 L49.N,HN; L49.HB2 >> 321 43 8.8157 1.3902 124.4323 +1.29e+07 L49.N,HN; L48.HB2 >> 324 43 8.8117 5.0838 124.4199 +2.59e+07 L49.N,HN; L48.HA >> 619 43 9.1952 0.7151 124.4195 +9.56e+06 Q86.N,HN; V88.HG2# >> 318 43 8.8157 0.6919 124.4166 +3.62e+07 L49.N,HN; L49.HD1# >> 317 43 8.8146 0.8129 124.4050 +1.91e+07 L49.N,HN; V47.HG2# >> 323 43 8.8028 4.9003 124.3835 +8.68e+06 L49.N,HN; L49.HA >> 843 44 7.7655 4.3942 124.3252 +9.17e+06 Q117.N,HN; A116.HA >> 844 44 7.7814 4.1749 124.2764 +3.32e+07 Q117.N,HN; Q117.HA >> 57 44 9.2566 4.6208 124.2355 +8.29e+06 E9.N,HN; F53.HA >> 54 44 9.2626 2.0892 124.1992 +1.61e+07 E9.N,HN; E9.HB2 >> 53 44 9.2769 1.4726 124.1875 +7.74e+06 E9.N,HN; A50.HB# >> 56 44 9.2613 4.7800 124.1693 +2.72e+07 E9.N,HN; S8.HA >> 55 44 9.2638 4.8906 124.1570 +1.50e+07 E9.N,HN; E9.HA >> 728 45 8.4806 4.6190 123.9595 +6.01e+06 F101.N,HN; S100.HA >> 727 45 8.4993 4.2600 123.9564 +1.62e+07 F101.N,HN; F101.HA >> 724 45 8.4960 2.9094 123.9396 +1.36e+07 F101.N,HN; F101.HB2 >> 723 45 8.4939 0.4245 123.9374 +9.00e+06 F101.N,HN; I96.HG2# >> 725 46 8.4984 3.4096 123.9108 +1.54e+07 F101.N,HN; F101.HB1 >> 726 46 8.4995 3.9436 123.8956 +1.11e+07 F101.N,HN; S100.HB2 >> 827 46 8.0643 1.2771 123.8820 +6.22e+06 L112.N,HN; T110.HG2# >> 95 46 6.8946 1.3504 123.8760 +1.27e+07 L16.N,HN; L16.HG >> 943 46 8.0636 1.6557 123.8576 +8.37e+07 L112.N,HN; L112.HB1|HB2 >> 829 46 8.0593 3.9358 123.8562 +1.42e+07 L112.N,HN; S111.HB2 >> 830 46 8.0634 4.4877 123.8519 +5.14e+07 L112.N,HN; S111.HA >> 92 46 6.8982 0.7581 123.8412 +2.24e+07 L16.N,HN; L16.HD2# >> 69 46 8.5324 4.1160 123.8400 +1.78e+07 A12.N,HN; A12.HA >> 93 46 6.8946 0.8598 123.8352 +2.23e+07 L16.N,HN; L16.HD1# >> 826 46 8.0686 0.9083 123.8351 +1.10e+07 L112.N,HN; L112.HD1# >> 67 46 8.5349 2.2326 123.8318 +1.44e+07 A12.N,HN; E11.HB1|HB2 >> 66 46 8.5363 1.4958 123.8304 +4.65e+07 A12.N,HN; A12.HB# >> 97 46 6.8965 1.7696 123.8275 +2.32e+07 L16.N,HN; L16.HB2 >> 96 46 6.8959 1.5616 123.8134 +2.76e+07 L16.N,HN; L16.HB1 >> 94 46 6.9029 1.2352 123.8085 +1.56e+07 L16.N,HN; T15.HG2# >> 99 46 6.8999 4.1097 123.8079 +3.48e+07 L16.N,HN; L16.HA >> 98 46 6.9021 3.7144 123.7928 +8.41e+06 L16.N,HN; T13.HA >> 828 46 8.0822 3.0738 123.7812 +6.71e+06 L112.N,HN; K75.HE1 >> 343 46 8.5856 2.0566 123.7695 +1.01e+07 F53.N,HN; P52.HB2 >> 348 46 8.5779 4.3329 123.7673 +1.45e+07 F53.N,HN; P52.HA >> 346 46 8.5711 3.1563 123.7567 +5.40e+06 F53.N,HN; F53.HB1 >> 349 46 8.5781 4.6398 123.7476 +8.27e+06 F53.N,HN; F53.HA >> 345 47 8.5840 2.9623 123.6918 +7.08e+06 F53.N,HN; F53.HB2 >> 914 50 10.0901 1.5762 122.9802 +1.28e+07 I76.N,HN; K75.HB1 >> 915 50 10.0985 2.7140 122.9779 +5.73e+06 I76.N,HN; D89.HB1 >> 546 50 10.0875 0.6844 122.9504 +1.54e+07 I76.N,HN; I76.HG2# >> 548 51 10.0874 4.9101 122.8988 +1.55e+07 I76.N,HN; K75.HA >> 260 53 7.7135 0.7780 122.4768 +3.25e+07 A41.N,HN; L40.HD1# >> 266 53 7.7125 3.9187 122.4692 +2.66e+07 A41.N,HN; L40.HA >> 262 53 7.7132 1.4769 122.4608 +1.20e+08 A41.N,HN; A41.HB# >> 263 53 7.7140 1.7585 122.4530 +2.16e+07 A41.N,HN; L40.HB1 >> 267 53 7.7130 4.1476 122.4481 +4.30e+07 A41.N,HN; A41.HA >> 264 53 7.7173 2.2846 122.4363 +6.51e+06 A41.N,HN; E37.HG2 >> 117 53 8.3978 0.8637 122.3885 +8.14e+06 I20.N,HN; L16.HD1# >> 122 53 8.4061 4.0789 122.3701 +1.66e+07 I20.N,HN; S19.HB1|HB2 >> 120 53 8.4101 1.7757 122.3685 +1.88e+07 I20.N,HN; I20.HB >> 877 53 7.7119 3.4822 122.3661 +6.83e+06 A41.N,HN; V36.HA >> 121 53 8.4057 3.7200 122.3268 +1.03e+07 I20.N,HN; I20.HA >> 116 53 8.4114 0.7024 122.3230 +1.77e+07 I20.N,HN; I20.HD1# >> 567 54 8.1549 3.0244 122.2505 +7.59e+06 I78.N,HN; F77.HB1 >> 660 54 8.5706 4.5479 122.2413 +4.77e+07 Y91.N,HN; R90.HA >> 656 54 8.5675 1.4206 122.2352 +4.13e+07 Y91.N,HN; R90.HB1 >> 659 54 8.5668 3.0463 122.2274 +5.45e+06 Y91.N,HN; R90.HD1 >> 661 54 8.5663 5.3217 122.2209 +1.02e+07 Y91.N,HN; Y91.HA >> 658 54 8.5665 2.8630 122.2193 +1.98e+07 Y91.N,HN; R90.HD2 >> 566 54 8.1537 2.7047 122.2152 +7.35e+06 I78.N,HN; F77.HB2 >> 657 54 8.5669 1.1656 122.2148 +5.18e+06 Y91.N,HN; I78.HG2# >> 655 54 8.5652 0.4374 122.2126 +7.67e+06 Y91.N,HN; V88.HG1# >> 568 54 8.1511 5.0441 122.2083 +8.30e+06 I78.N,HN; I78.HA >> 963 54 7.2669 2.5897 122.2010 +6.57e+06 E35.N,HN; D33.HB1|HB2 >> 564 54 8.1504 0.6766 122.2003 +1.69e+07 I78.N,HN; I76.HG2# >> 560 54 8.1496 1.7436 122.1978 +1.64e+07 I78.N,HN; I78.HB >> 569 54 8.1516 5.3069 122.1955 +1.12e+07 I78.N,HN; Y91.HA >> 570 54 8.1448 5.6894 122.1947 +2.59e+07 I78.N,HN; F77.HA >> 916 54 8.1446 1.2989 122.1923 +1.37e+07 I78.N,HN; I78.HG12 >> 561 54 8.1532 1.1965 122.1913 +1.81e+07 I78.N,HN; I78.HG2# >> 558 54 8.1500 0.4438 122.1908 +1.95e+07 I78.N,HN; V88.HG1# >> 210 54 7.2716 4.7491 122.1836 +7.86e+06 E35.N,HN; D33.HA >> 205 54 7.2607 2.2489 122.1681 +1.96e+07 E35.N,HN; E35.HG1 >> 209 54 7.2612 4.3046 122.1675 +2.70e+07 E35.N,HN; E35.HA >> 204 54 7.2614 1.8742 122.1635 +4.26e+07 E35.N,HN; E35.HB2 >> 868 54 7.2617 2.0743 122.1564 +4.66e+07 E35.N,HN; E35.HB1 >> 202 54 7.2634 0.7954 122.1562 +2.64e+07 E35.N,HN; L39.HD1# >> 208 54 7.2616 3.9588 122.1512 +1.95e+07 E35.N,HN; G34.HA1 >> 207 54 7.2618 3.3894 122.1487 +1.44e+07 E35.N,HN; G34.HA2 >> 203 54 7.2599 0.9732 122.1243 +8.34e+06 E35.N,HN; V36.HG2# >> 337 54 7.9922 1.5869 122.1119 +3.46e+07 E51.N,HN; L79.HB1|HB2 >> 336 55 7.9944 1.4767 122.0763 +3.72e+07 E51.N,HN; A50.HB# >> 342 55 7.9943 5.3346 122.0685 +3.43e+07 E51.N,HN; A50.HA >> 883 55 7.9943 0.8595 122.0511 +1.97e+07 E51.N,HN; L79.HD1#|HD2# >> 341 55 7.9968 4.3599 122.0416 +6.46e+06 E51.N,HN; P52.HA >> 599 56 8.1100 1.1668 121.8052 +2.20e+07 K82.N,HN; K82.HG1|HG2 >> 601 56 8.1159 3.9214 121.7490 +2.78e+07 K82.N,HN; S81.HB1|HB2 >> 920 56 8.1112 1.5723 121.7470 +3.39e+07 K82.N,HN; K82.HB2 >> 600 56 8.1075 3.5903 121.7459 +1.21e+07 K82.N,HN; K82.HA >> 602 56 8.1117 4.4174 121.7442 +4.61e+07 K82.N,HN; S81.HA >> 11 60 8.4667 1.6384 120.9486 +1.62e+07 R3.N,HN; R3.HB2 >> 944 60 8.4650 1.3667 120.9221 +1.47e+07 R3.N,HN; I45.HG11|HG12 >> 13 60 8.4657 2.0556 120.9140 +1.74e+07 R3.N,HN; R3.HB1 >> 15 60 8.4651 4.5491 120.9105 +3.32e+07 R3.N,HN; G2.HA1 >> 12 60 8.4690 1.7868 120.9085 +1.06e+07 R3.N,HN; R3.HG2 >> 7 60 8.4668 1.0283 120.9055 +1.75e+07 R3.N,HN; I45.HD1# >> 14 60 8.4650 3.9903 120.8980 +3.43e+07 R3.N,HN; G2.HA2 >> 62 60 8.4384 4.8975 120.8933 +1.18e+07 D10.N,HN; E9.HA >> 8 60 8.4671 1.1778 120.8863 +2.45e+07 R3.N,HN; I45.HG2# >> 60 61 8.4410 2.8509 120.8446 +1.16e+07 D10.N,HN; D10.HB1 >> 9 61 8.4545 0.9000 120.8316 +7.46e+06 R3.N,HN; I4.HG11 >> 16 61 8.4738 5.3197 120.8244 +1.08e+07 R3.N,HN; R3.HA >> 61 61 8.4358 4.7571 120.7998 +2.00e+07 D10.N,HN; D10.HA >> 59 61 8.4368 2.6533 120.7980 +1.48e+07 D10.N,HN; D10.HB2 >> 58 61 8.4405 2.3641 120.7904 +1.06e+07 D10.N,HN; E9.HB1 >> 783 61 8.2583 2.7281 120.7819 +3.15e+07 M107.N,HN; M107.HG1 >> 786 61 8.2611 3.8846 120.7811 +1.31e+07 M107.N,HN; Q104.HA >> 63 61 8.4366 3.7174 120.7806 +6.30e+06 D10.N,HN; T13.HB >> 784 61 8.2591 4.2158 120.7727 +5.60e+07 M107.N,HN; M107.HA >> 938 61 8.2588 2.0960 120.7691 +3.97e+07 M107.N,HN; M107.HB1 >> 782 61 8.2621 2.5804 120.7675 +2.28e+07 M107.N,HN; M107.HG2 >> 779 61 8.2591 1.2464 120.7653 +2.35e+07 M107.N,HN; T106.HG2# >> 785 61 8.2560 3.9701 120.7519 +1.39e+07 M107.N,HN; Q103.HA >> 145 61 7.2121 4.0305 120.7292 +1.65e+07 A24.N,HN; T23.HA >> 141 61 7.2029 1.0989 120.7204 +7.09e+06 A24.N,HN; I20.HG2# >> 139 61 7.2210 0.5795 120.7149 +6.20e+06 A24.N,HN; L21.HD1# >> 142 61 7.2114 1.3069 120.7039 +2.55e+07 A24.N,HN; T23.HG2# >> 144 61 7.2104 4.3934 120.7003 +4.92e+07 A24.N,HN; A24.HA >> 143 61 7.2109 1.6929 120.6954 +1.02e+08 A24.N,HN; A24.HB# >> 410 62 7.4880 3.3206 120.6300 +1.38e+07 L61.N,HN; V58.HA >> 411 62 7.4814 4.0517 120.6233 +3.16e+07 L61.N,HN; L61.HA >> 408 62 7.4754 2.2775 120.6214 +1.39e+07 L61.N,HN; E60.HG2 >> 895 62 7.4823 1.6853 120.6213 +4.44e+07 L61.N,HN; L61.HB1 >> 409 62 7.4847 2.3950 120.6098 +1.19e+07 L61.N,HN; E60.HG1 >> 407 62 7.4827 2.0827 120.6096 +4.00e+07 L61.N,HN; E60.HB1|HB2 >> 406 62 7.4821 0.8103 120.6053 +3.05e+07 L61.N,HN; L61.HD1# >> 140 62 7.2146 0.8817 120.6038 +1.44e+07 A24.N,HN; L102.HD2# >> 166 63 8.4188 2.9114 120.3847 +6.32e+06 Q27.N,HN; Y26.HB1 >> 168 63 8.4233 5.3226 120.3317 +6.90e+06 Q27.N,HN; R3.HA >> 164 63 8.4233 2.0058 120.3189 +7.41e+06 Q27.N,HN; Q27.HB1 >> 861 63 8.4392 1.3004 120.3144 +5.35e+06 Q27.N,HN; I4.HG12 >> 169 63 8.4243 4.6343 120.2723 +2.65e+07 Q27.N,HN; Y26.HA >> 167 64 8.4136 4.9979 120.1840 +7.48e+06 Q27.N,HN; Q27.HA >> 448 65 8.2532 3.2221 119.9369 +8.90e+06 L65.N,HN; V62.HA >> 447 65 8.2521 2.7125 119.9019 +8.32e+06 L65.N,HN; Q64.HG1 >> 896 65 8.2501 0.9740 119.8975 +1.25e+07 L65.N,HN; V36.HG2# >> 444 65 8.2457 1.7142 119.8968 +6.29e+06 L65.N,HN; R68.HG1|HG2 >> 446 65 8.2449 2.3212 119.8918 +8.73e+06 L65.N,HN; Q64.HB1 >> 449 66 8.2453 3.9678 119.8484 +2.34e+07 L65.N,HN; L65.HA >> 441 66 8.2460 0.7521 119.8301 +4.57e+07 L65.N,HN; L65.HD1# >> 383 67 8.0851 4.2409 119.5831 +2.55e+07 D57.N,HN; G56.HA1 >> 380 67 8.0841 2.5920 119.5773 +2.97e+07 D57.N,HN; D57.HB2 >> 382 67 8.0838 4.6112 119.5708 +2.73e+07 D57.N,HN; D57.HA >> 381 67 8.0845 2.7603 119.5675 +3.08e+07 D57.N,HN; D57.HB1 >> 386 67 8.0872 3.7872 119.5666 +4.14e+07 Q59.N,HN; Q59.HA >> 891 67 8.0873 2.1033 119.5621 +2.28e+07 D57.N,HN; E60.HB1|HB2 >> 374 67 8.0894 0.2406 119.5564 +1.29e+07 Q59.N,HN; V58.HG2# >> 894 67 8.0851 2.2606 119.5489 +2.62e+07 D57.N,HN; E60.HG2 >> 387 67 8.0850 1.1939 119.5385 +1.89e+07 Q59.N,HN; V58.HB >> 893 67 8.0871 2.3921 119.5348 +2.47e+07 D57.N,HN; E60.HG1 >> 390 67 8.0867 3.3251 119.5311 +5.69e+06 D57.N,HN; V58.HA >> 373 67 8.0876 -0.0869 119.5107 +2.52e+07 Q59.N,HN; V58.HG1# >> 430 67 8.7553 3.8111 119.4745 +8.87e+06 D63.N,HN; Q59.HA >> 429 68 8.7592 4.1012 119.4429 +1.70e+07 D63.N,HN; E60.HA >> 426 68 8.7607 2.5900 119.4258 +2.52e+07 D63.N,HN; D63.HB2 >> 427 68 8.7588 2.9122 119.4212 +2.69e+07 D63.N,HN; D63.HB1 >> 423 68 8.7588 0.7101 119.4198 +2.42e+07 D63.N,HN; V62.HG2# >> 425 68 8.7594 2.0572 119.4196 +2.43e+07 D63.N,HN; V62.HB >> 424 68 8.7636 0.9001 119.4176 +2.26e+07 D63.N,HN; V62.HG1# >> 299 68 7.2997 2.1815 119.3993 +1.13e+07 A46.N,HN; P44.HB1 >> 301 68 7.3051 4.6601 119.3949 +1.66e+07 A46.N,HN; I4.HA >> 428 68 8.7639 4.2698 119.3948 +2.28e+07 D63.N,HN; D63.HA >> 297 68 7.3003 1.3642 119.3705 +1.72e+07 A46.N,HN; I45.HG11|HG12 >> 295 68 7.3024 0.6672 119.3704 +1.45e+07 A46.N,HN; L74.HD1# >> 745 68 7.9298 4.6167 119.3681 +1.27e+07 Q103.N,HN; S100.HA >> 747 68 7.9307 3.6496 119.3599 +7.37e+06 Q103.N,HN; L102.HA >> 298 68 7.2979 1.7235 119.3587 +1.04e+07 A46.N,HN; P44.HB2 >> 294 68 7.3003 1.0222 119.3510 +3.75e+07 A46.N,HN; A46.HB# >> 744 68 7.9267 3.9940 119.3505 +3.10e+07 Q103.N,HN; Q103.HA >> 537 68 7.7763 4.0260 119.3467 +6.75e+06 L74.N,HN; E72.HA >> 934 68 7.9272 2.1762 119.3466 +9.06e+07 Q103.N,HN; Q103.HB1|HB2 >> 307 68 8.5885 1.7393 119.3462 +1.98e+07 V47.N,HN; V47.HB >> 742 68 7.9313 1.8336 119.3424 +2.00e+07 Q103.N,HN; L102.HB1 >> 910 68 7.7874 1.3671 119.3417 +1.87e+07 L74.N,HN; L74.HB2 >> 535 68 7.7861 4.4756 119.3385 +3.11e+07 L74.N,HN; L74.HA >> 305 68 8.5878 1.0198 119.3323 +3.68e+07 V47.N,HN; A46.HB# >> 296 68 7.2994 1.1811 119.3286 +1.56e+07 A46.N,HN; I45.HG2# >> 309 68 8.5884 5.3761 119.3281 +2.72e+07 V47.N,HN; A46.HA >> 530 68 7.7850 0.6564 119.3259 +2.68e+07 L74.N,HN; L74.HD1# >> 303 68 8.5890 0.6795 119.3238 +3.24e+07 V47.N,HN; I76.HG2# >> 532 68 7.7826 1.5430 119.3222 +6.18e+06 L74.N,HN; K75.HG1|HG2 >> 911 68 7.7855 2.0763 119.3216 +1.78e+07 L74.N,HN; Q73.HB2 >> 300 68 7.2983 5.4025 119.3190 +8.57e+06 A46.N,HN; A46.HA >> 304 68 8.5882 0.8242 119.3148 +3.59e+07 V47.N,HN; V47.HG2# >> 746 68 7.9263 4.2435 119.3102 +8.08e+06 Q103.N,HN; T106.HB >> 808 68 7.8605 3.7690 119.3034 +1.13e+07 L109.N,HN; T106.HA >> 806 68 7.8585 4.3724 119.2989 +2.50e+07 L109.N,HN; L109.HA >> 536 68 7.7875 4.2471 119.2941 +1.88e+07 L74.N,HN; Q73.HA >> 804 68 7.8587 1.2932 119.2935 +1.21e+07 L109.N,HN; T110.HG2# >> 533 68 7.7859 2.3566 119.2919 +1.59e+07 L74.N,HN; E72.HG2 >> 939 68 7.8559 1.9489 119.2841 +4.11e+07 L109.N,HN; L109.HG >> 807 68 7.8596 4.0045 119.2786 +1.07e+07 L109.N,HN; G108.HA1 >> 812 68 7.8589 1.6578 119.2593 +1.85e+07 L109.N,HN; L109.HB2 >> 803 69 7.8567 0.7441 119.2475 +3.74e+07 L109.N,HN; L109.HD1# >> 851 69 7.9174 2.3938 119.2079 +5.76e+07 Q103.N,HN; Q103.HG1 >> 308 69 8.5943 5.0403 119.1985 +1.05e+07 V47.N,HN; V47.HA >> 809 69 7.8549 3.5579 119.1939 +7.19e+06 L109.N,HN; G108.HA2 >> 220 69 8.9518 0.8581 119.1678 +4.01e+07 E37.N,HN; V36.HG1# >> 225 69 8.9497 3.4741 119.1636 +8.90e+06 E37.N,HN; V36.HA >> 221 69 8.9520 0.9695 119.1622 +1.69e+07 E37.N,HN; V36.HG2# >> 870 69 8.9533 2.0162 119.1599 +7.43e+07 E37.N,HN; E37.HB1 >> 869 69 8.9511 2.2548 119.1572 +5.63e+07 E37.N,HN; E37.HG1 >> 850 69 7.9083 1.5824 119.1568 +1.62e+07 I17.N,HN; I17.HB >> 226 69 8.9474 4.3030 119.1550 +9.49e+06 E37.N,HN; E35.HA >> 405 69 7.9139 3.8184 119.1533 +8.75e+06 E60.N,HN; Q59.HA >> 223 69 8.9530 3.9292 119.1438 +3.00e+07 E37.N,HN; E37.HA >> 400 69 7.9147 2.0977 119.1438 +8.89e+07 E60.N,HN; E60.HB1|HB2 >> 102 69 7.8999 3.0929 119.1213 +7.11e+06 I17.N,HN; I17.HA >> 402 69 7.9116 2.7695 119.1063 +7.69e+06 E60.N,HN; D57.HB1 >> 100 69 7.8976 0.3967 119.1027 +1.37e+07 I17.N,HN; I17.HD1# >> 403 69 7.9141 3.3369 119.0980 +6.05e+06 E60.N,HN; V58.HA >> 404 69 7.9132 4.0984 119.0904 +3.88e+07 E60.N,HN; E60.HA >> 849 69 7.9030 0.2196 119.0703 +8.61e+06 I17.N,HN; I96.HD1# >> 413 70 8.3024 -0.0904 119.0217 +6.32e+06 V62.N,HN; V58.HG1# >> 417 70 8.3129 2.0600 119.0209 +2.31e+07 V62.N,HN; V62.HB >> 416 70 8.3136 1.6748 119.0070 +1.92e+07 V62.N,HN; L61.HB2 >> 414 70 8.3157 0.7018 118.9992 +5.69e+07 V62.N,HN; V62.HG2# >> 415 70 8.3158 0.9053 118.9958 +2.19e+07 V62.N,HN; V62.HG1# >> 229 70 7.4680 1.6747 118.9832 +1.68e+07 R38.N,HN; R38.HB2 >> 234 70 7.4668 3.8922 118.9792 +2.13e+07 R38.N,HN; R38.HA >> 232 70 7.4632 1.9996 118.9755 +2.60e+07 R38.N,HN; E37.HB1 >> 420 70 8.3145 3.8211 118.9708 +8.22e+06 V62.N,HN; Q59.HA >> 419 70 8.3104 3.2350 118.9597 +1.17e+07 V62.N,HN; V62.HA >> 233 70 7.4651 2.2520 118.9568 +2.18e+07 R38.N,HN; E35.HG1 >> 422 70 8.3164 4.0617 118.9567 +1.16e+07 V62.N,HN; L61.HA >> 228 70 7.4647 0.8249 118.9533 +1.47e+07 R38.N,HN; L31.HD2# >> 230 70 7.4659 1.8434 118.9512 +2.80e+07 R38.N,HN; R38.HB1 >> 231 70 7.4711 1.4759 118.9416 +1.38e+07 R38.N,HN; L39.HB2 >> 159 71 7.7857 4.6585 118.8033 +1.75e+07 Y26.N,HN; Y26.HA >> 158 71 7.7892 2.4040 118.8030 +1.07e+07 Y26.N,HN; Y26.HB2 >> 162 71 7.7845 3.5595 118.7871 +5.25e+06 Y26.N,HN; G25.HA2 >> 161 71 7.7899 4.1622 118.7319 +1.03e+07 Y26.N,HN; G25.HA1 >> 157 71 7.7879 1.6816 118.7224 +1.22e+07 Y26.N,HN; A24.HB# >> 765 72 7.7610 3.6253 118.6202 +9.50e+06 V105.N,HN; L102.HA >> 758 72 7.7544 -0.0010 118.6154 +4.96e+07 V105.N,HN; V105.HG1# >> 764 72 7.7584 3.2291 118.6059 +1.49e+07 V105.N,HN; V105.HA >> 759 72 7.7578 0.3117 118.5880 +1.84e+07 V105.N,HN; V105.HG2# >> 761 72 7.7549 1.5567 118.5827 +2.84e+07 V105.N,HN; V105.HB >> 609 72 7.1839 0.7117 118.5792 +1.50e+07 Y85.N,HN; V88.HG2# >> 616 72 7.1806 4.4714 118.5752 +6.84e+06 Y85.N,HN; Q86.HA >> 611 72 7.1810 2.6768 118.5638 +3.02e+07 Y85.N,HN; Y85.HB2 >> 614 72 7.1810 4.8205 118.5589 +5.59e+07 Y85.N,HN; N84.HA >> 610 72 7.1829 2.4574 118.5546 +1.34e+07 Y85.N,HN; N84.HB2 >> 615 72 7.1841 4.6339 118.5491 +2.65e+07 Y85.N,HN; Y85.HA >> 613 72 7.1750 3.4102 118.5473 +6.39e+06 Y85.N,HN; G83.HA2 >> 767 72 7.7486 4.2485 118.5367 +6.79e+06 V105.N,HN; T106.HB >> 612 72 7.1851 2.8963 118.5271 +1.73e+07 Y85.N,HN; Y85.HB1 >> 766 72 7.7478 3.8907 118.4947 +7.79e+06 V105.N,HN; Q104.HA >> 439 72 8.0806 3.9695 118.4935 +3.53e+07 Q64.N,HN; Q64.HA >> 762 72 7.7465 2.1737 118.4930 +6.81e+06 V105.N,HN; Q103.HB1|HB2 >> 437 72 8.0776 2.7123 118.4915 +3.84e+07 Q64.N,HN; Q64.HG1 >> 431 72 8.0762 0.9745 118.4906 +1.40e+07 Q64.N,HN; V36.HG2# >> 432 72 8.0820 0.8025 118.4815 +1.59e+07 Q64.N,HN; L61.HD1# >> 440 72 8.0816 4.2709 118.4731 +1.26e+07 Q64.N,HN; D63.HA >> 435 72 8.0844 2.3173 118.4650 +2.39e+07 Q64.N,HN; Q64.HB1 >> 434 72 8.0823 2.0664 118.4634 +2.68e+07 Q64.N,HN; Q64.HB2 >> 436 72 8.0790 2.4515 118.4566 +3.55e+07 Q64.N,HN; Q64.HG2 >> 438 72 8.0830 2.9226 118.4390 +1.69e+07 Q64.N,HN; D63.HB1 >> 433 73 8.0906 1.6364 118.4362 +6.03e+06 Q64.N,HN; L61.HB2 >> 729 74 8.3891 1.0826 118.0723 +1.55e+07 L102.N,HN; I20.HG2# >> 730 75 8.3895 0.9369 118.0281 +1.61e+07 L102.N,HN; L102.HD1# >> 733 75 8.3881 1.4941 118.0181 +2.09e+07 L102.N,HN; L102.HB2 >> 735 75 8.3922 1.8200 118.0162 +2.30e+07 L102.N,HN; L102.HB1 >> 739 75 8.3863 3.6279 118.0126 +1.73e+07 L102.N,HN; L102.HA >> 734 75 8.3836 1.6263 118.0103 +1.37e+07 L102.N,HN; L102.HG >> 731 75 8.3915 0.8804 118.0027 +1.50e+07 L102.N,HN; L102.HD2# >> 360 75 7.1294 4.7528 117.9951 +2.72e+07 Y55.N,HN; Y55.HA >> 359 75 7.1301 4.3561 117.9937 +1.60e+07 Y55.N,HN; S54.HA >> 356 75 7.1277 3.1923 117.9886 +1.41e+07 Y55.N,HN; Y55.HB1 >> 951 75 8.3876 2.1539 117.9783 +6.56e+06 L102.N,HN; Q103.HB1|HB2 >> 472 75 7.6668 4.5477 117.9486 +1.08e+07 Q67.N,HN; R66.HA >> 948 75 8.3983 4.1498 117.9406 +9.07e+06 L102.N,HN; E99.HA >> 358 75 7.1359 4.0233 117.9397 +9.44e+06 Y55.N,HN; S54.HB1 >> 113 75 7.9072 3.1320 117.9371 +9.63e+06 S19.N,HN; C18.HB1 >> 355 75 7.1272 2.9265 117.9350 +1.06e+07 Y55.N,HN; Y55.HB2 >> 361 75 7.1257 4.6437 117.9291 +1.45e+07 Y55.N,HN; F53.HA >> 357 75 7.1178 3.7199 117.9205 +6.87e+06 Y55.N,HN; S54.HB2 >> 469 75 7.6604 3.9629 117.9066 +2.13e+07 Q67.N,HN; Q64.HA >> 465 75 7.6596 2.1505 117.9040 +1.04e+08 Q67.N,HN; Q67.HB1|HB2 >> 467 75 7.6612 2.5948 117.9018 +4.93e+07 Q67.N,HN; Q67.HG2 >> 471 75 7.6593 4.1418 117.9015 +5.10e+07 Q67.N,HN; Q67.HA >> 466 75 7.6582 2.4553 117.8991 +4.06e+07 Q67.N,HN; Q67.HG1 >> 464 75 7.6578 1.7197 117.8850 +1.55e+07 Q67.N,HN; R68.HG1|HG2 >> 468 75 7.6582 3.1552 117.8828 +8.84e+06 Q67.N,HN; R68.HD1|HD2 >> 854 75 7.9067 0.7168 117.8772 +1.18e+07 S19.N,HN; I17.HG2# >> 853 75 7.9025 0.8798 117.8526 +1.37e+07 S19.N,HN; L16.HD1# >> 114 75 7.9081 4.0669 117.8413 +6.35e+07 S19.N,HN; S19.HB1|HB2 >> 458 76 8.8209 3.3934 117.7816 +5.76e+06 R66.N,HN; R66.HD1 >> 137 76 7.9014 1.7052 117.7745 +1.09e+07 T23.N,HN; A24.HB# >> 459 76 8.8200 3.2480 117.7740 +6.11e+06 R66.N,HN; R66.HD2 >> 460 76 8.8187 3.9639 117.7629 +9.52e+06 R66.N,HN; L65.HA >> 451 76 8.8219 0.7507 117.7580 +2.18e+07 R66.N,HN; L65.HD1# >> 135 76 7.8956 1.1345 117.7508 +1.84e+07 T23.N,HN; T22.HG2# >> 462 76 8.8239 4.5465 117.7478 +9.10e+06 R66.N,HN; R66.HA >> 690 76 8.2227 0.4179 117.7458 +2.53e+07 I96.N,HN; I96.HG2# >> 138 76 7.8970 4.3579 117.7439 +3.66e+07 T23.N,HN; T23.HB >> 689 76 8.2228 0.2059 117.7439 +1.68e+07 I96.N,HN; I96.HD1# >> 452 76 8.8235 1.5539 117.7412 +9.65e+06 R66.N,HN; R66.HG2 >> 694 76 8.2225 1.9318 117.7390 +2.23e+07 I96.N,HN; P95.HB2 >> 453 76 8.8199 2.1395 117.7348 +2.15e+07 R66.N,HN; R66.HB1 >> 696 76 8.2229 4.3901 117.7327 +2.96e+07 I96.N,HN; P95.HA >> 692 76 8.2226 1.0445 117.7296 +4.63e+07 I96.N,HN; I96.HG11|HG12 >> 693 76 8.2241 1.6505 117.7295 +3.06e+07 I96.N,HN; I96.HB >> 691 76 8.2243 0.8360 117.7255 +3.70e+07 I96.N,HN; L94.HD2# >> 695 76 8.2192 2.3590 117.7231 +1.28e+07 I96.N,HN; P95.HB1 >> 454 76 8.8209 2.4620 117.7230 +5.76e+06 R66.N,HN; Q67.HG1 >> 461 76 8.8255 4.2879 117.7158 +8.49e+06 R66.N,HN; D63.HA >> 697 76 8.2260 4.0548 117.7140 +1.45e+07 I96.N,HN; I96.HA >> 749 76 7.9641 0.4491 117.7088 +8.13e+06 Q104.N,HN; I92.HD1# >> 757 76 7.9519 4.6201 117.7014 +6.30e+06 Q104.N,HN; S100.HA >> 134 76 7.8965 1.3059 117.6968 +2.47e+07 T23.N,HN; T23.HG2# >> 750 76 7.9584 1.8793 117.6804 +1.54e+07 Q104.N,HN; Q104.HB2 >> 754 76 7.9536 3.8864 117.6594 +2.70e+07 Q104.N,HN; Q104.HA >> 753 76 7.9553 2.5971 117.6451 +2.94e+07 Q104.N,HN; Q104.HG1 >> 751 76 7.9561 2.1686 117.6321 +4.03e+07 Q104.N,HN; Q103.HB1|HB2 >> 752 77 7.9539 2.4247 117.5994 +4.05e+07 Q104.N,HN; Q104.HG2 >> 748 77 7.9560 0.0015 117.5567 +7.17e+06 Q104.N,HN; V105.HG1# >> 88 77 7.9113 3.4803 117.4808 +9.59e+06 T15.N,HN; T15.HA >> 842 77 8.1204 4.3894 117.4704 +7.32e+06 S115.N,HN; T114.HA >> 85 78 7.9078 1.2309 117.3900 +2.44e+07 T15.N,HN; T15.HG2# >> 87 78 7.9033 2.6835 117.3532 +7.66e+06 T15.N,HN; S14.HB2 >> 86 78 7.9050 1.4747 117.3488 +5.61e+06 T15.N,HN; A12.HB# >> 90 78 7.9137 4.1401 117.3198 +2.21e+07 T15.N,HN; T15.HB >> 857 78 8.0301 0.7082 117.3014 +7.00e+06 T22.N,HN; L21.HD2# >> 351 78 8.4392 4.0324 117.2655 +9.47e+06 S54.N,HN; S54.HB1 >> 353 79 8.4309 4.6504 117.2131 +2.18e+07 S54.N,HN; F53.HA >> 236 79 7.2307 0.7813 117.2041 +3.55e+07 L39.N,HN; L39.HD1# >> 240 79 7.2350 1.8272 117.2005 +3.54e+07 L39.N,HN; L39.HB1 >> 238 79 7.2336 1.4697 117.1992 +2.69e+07 L39.N,HN; L39.HB2 >> 243 79 7.2269 3.7416 117.1945 +1.61e+07 L39.N,HN; L39.HA >> 352 79 8.4236 4.3516 117.1843 +1.50e+07 S54.N,HN; S54.HA >> 239 79 7.2307 1.6807 117.1799 +2.53e+07 L39.N,HN; L39.HG >> 131 79 8.0250 0.9276 117.1771 +1.21e+07 T22.N,HN; V28.HG2# >> 350 79 8.4313 3.7096 117.1745 +1.23e+07 S54.N,HN; S54.HB2 >> 133 79 8.0299 4.2797 117.1616 +1.63e+07 T22.N,HN; T22.HB >> 237 79 7.2364 0.9787 117.1606 +1.02e+07 L39.N,HN; V36.HG2# >> 241 79 7.2378 2.0387 117.1597 +1.04e+07 L39.N,HN; V36.HB >> 244 79 7.2307 3.4863 117.1581 +9.33e+06 L39.N,HN; V36.HA >> 245 79 7.2366 3.8838 117.1580 +1.32e+07 L39.N,HN; R38.HA >> 497 79 8.3169 2.7793 117.1443 +1.11e+07 C69.N,HN; C69.HB1 >> 502 79 8.3094 5.0145 117.1397 +1.56e+07 C69.N,HN; C69.HA >> 130 79 8.0268 1.1382 117.1225 +1.82e+07 T22.N,HN; T22.HG2# >> 905 79 8.3152 2.1235 117.1213 +1.98e+07 C69.N,HN; L65.HB1 >> 492 79 8.3150 0.7641 117.1189 +1.53e+07 C69.N,HN; L40.HD2# >> 501 79 8.3118 4.5031 117.1169 +2.41e+07 C69.N,HN; R68.HA >> 496 79 8.3131 2.5070 117.1139 +1.93e+07 C69.N,HN; C69.HB2 >> 132 79 8.0358 4.6872 117.1123 +1.02e+07 T22.N,HN; T22.HA >> 500 79 8.3135 4.1364 117.1037 +7.34e+06 C69.N,HN; Q67.HA >> 858 79 8.0220 1.2960 117.0940 +4.78e+06 T22.N,HN; T23.HG2# >> 494 79 8.3115 1.7267 117.0882 +2.27e+07 C69.N,HN; R68.HG1|HG2 >> 499 79 8.3114 3.9626 117.0845 +7.81e+06 C69.N,HN; L65.HA >> 638 79 7.0228 4.5003 117.0269 +6.77e+06 V88.N,HN; Q86.HA >> 498 79 8.3080 3.1454 117.0250 +9.85e+06 C69.N,HN; R68.HD1|HD2 >> 824 80 7.9374 4.4003 116.9961 +5.48e+06 S111.N,HN; L112.HA >> 630 80 7.0215 0.7165 116.9516 +6.88e+07 V88.N,HN; V88.HG2# >> 634 80 7.0212 1.9041 116.9486 +4.52e+07 V88.N,HN; V88.HB >> 629 80 7.0216 0.4490 116.9475 +2.87e+07 V88.N,HN; V88.HG1# >> 637 80 7.0282 4.0802 116.9467 +5.42e+06 V88.N,HN; G87.HA1 >> 633 80 7.0145 1.4855 116.9434 +5.79e+06 V88.N,HN; I76.HG11 >> 636 80 7.0208 3.7798 116.9422 +2.28e+07 V88.N,HN; V88.HA >> 631 80 7.0217 0.8997 116.9343 +1.23e+07 V88.N,HN; V62.HG1# >> 635 80 7.0331 2.4039 116.9300 +9.40e+06 V88.N,HN; Q86.HG1|HG2 >> 639 80 7.0182 1.2590 116.9288 +5.63e+06 V88.N,HN; I78.HG12 >> 529 80 7.5108 4.4519 116.9201 +6.56e+06 Q73.N,HN; L74.HA >> 528 80 7.5010 4.2512 116.9019 +2.66e+07 Q73.N,HN; Q73.HA >> 522 80 7.5026 1.3474 116.8965 +7.86e+06 Q73.N,HN; T70.HG2# >> 527 80 7.5003 4.0461 116.8933 +1.29e+07 Q73.N,HN; E72.HA >> 525 80 7.5040 2.3540 116.8662 +3.15e+07 Q73.N,HN; E72.HG2 >> 523 80 7.5060 2.1726 116.8621 +2.44e+07 Q73.N,HN; Q73.HB1 >> 822 80 7.9428 3.9612 116.8590 +5.30e+06 S111.N,HN; S111.HB1 >> 524 80 7.5042 2.0170 116.8527 +2.27e+07 Q73.N,HN; E72.HB1 >> 823 80 7.9312 4.4918 116.8127 +6.82e+06 S111.N,HN; S111.HA >> 526 81 7.4953 2.6797 116.7980 +5.15e+06 Q73.N,HN; P71.HB1 >> 681 81 7.3986 1.8844 116.7722 +2.48e+07 L94.N,HN; P93.HB2 >> 686 81 7.3968 4.5806 116.7614 +5.93e+07 L94.N,HN; P93.HA >> 928 81 7.3966 1.4982 116.7602 +2.40e+07 L94.N,HN; L94.HG >> 685 81 7.3953 4.4346 116.7574 +1.76e+07 L94.N,HN; G80.HA1 >> 680 81 7.3929 1.3467 116.7571 +1.18e+07 L94.N,HN; L94.HB2 >> 678 81 7.3958 0.8532 116.7557 +3.16e+07 L94.N,HN; L94.HD2# >> 683 81 7.3995 2.2995 116.7512 +2.47e+07 L94.N,HN; P93.HB1 >> 682 81 7.4043 2.0310 116.7424 +1.77e+07 L94.N,HN; P93.HG1|HG2 >> 684 81 7.3970 4.3248 116.7419 +1.90e+07 L94.N,HN; L94.HA >> 679 81 7.3967 1.0357 116.7114 +8.87e+06 L94.N,HN; I92.HG2# >> 962 81 7.3012 1.9971 116.6790 +6.92e+06 D33.N,HN; L31.HB1 >> 688 81 7.3967 3.7474 116.6738 +7.15e+06 L94.N,HN; G80.HA2 >> 506 81 8.5379 2.0528 116.6380 +1.05e+07 T70.N,HN; Q73.HB2 >> 959 81 7.3026 0.0071 116.6257 +9.02e+06 D33.N,HN; V7.HG1# >> 191 81 7.3091 1.7281 116.6112 +9.16e+06 D33.N,HN; L31.HB2 >> 511 82 8.5438 4.8191 116.5834 +1.40e+07 T70.N,HN; T70.HA >> 505 82 8.5400 2.1664 116.5802 +1.27e+07 T70.N,HN; Q73.HB1 >> 193 82 7.2997 2.3430 116.5767 +1.26e+07 D33.N,HN; V32.HB >> 509 82 8.5400 2.7704 116.5711 +8.32e+06 T70.N,HN; C69.HB1 >> 906 82 8.5401 2.3656 116.5644 +1.22e+07 T70.N,HN; E72.HG2 >> 504 82 8.5418 1.3534 116.5610 +5.94e+07 T70.N,HN; T70.HG2# >> 510 82 8.5408 5.0099 116.5593 +6.09e+07 T70.N,HN; C69.HA >> 957 82 7.3017 4.7627 116.5574 +2.38e+07 D33.N,HN; D33.HA >> 961 82 7.3013 0.7705 116.5561 +4.11e+07 D33.N,HN; V32.HG1# >> 958 82 7.2948 4.5103 116.5536 +1.31e+07 D33.N,HN; V32.HA >> 194 82 7.2997 2.5811 116.5364 +1.97e+07 D33.N,HN; D33.HB1|HB2 >> 708 83 9.1417 1.7890 116.3563 +7.07e+06 E99.N,HN; L102.HB1 >> 710 83 9.1316 2.3493 116.3482 +2.98e+07 E99.N,HN; E99.HG1|HG2 >> 956 83 9.1349 2.2055 116.3379 +1.49e+07 E99.N,HN; P98.HG2 >> 955 83 9.1485 3.6844 116.3302 +7.30e+06 E99.N,HN; P98.HD1 >> 709 83 9.1321 2.0688 116.3274 +5.13e+07 E99.N,HN; E99.HB1 >> 712 83 9.1309 4.1621 116.3217 +2.10e+07 E99.N,HN; E99.HA >> 84 83 7.5822 4.1409 116.2319 +1.02e+07 S14.N,HN; T15.HB >> 79 84 7.5736 1.4948 116.1270 +6.91e+06 S14.N,HN; A12.HB# >> 77 84 7.5828 1.0392 116.1226 +1.52e+07 S14.N,HN; T13.HG2# >> 81 84 7.5836 3.3728 116.1183 +8.03e+06 S14.N,HN; S14.HA >> 82 84 7.5808 3.7019 116.1182 +1.61e+07 S14.N,HN; T13.HB >> 78 84 7.5801 1.2109 116.1163 +6.88e+06 S14.N,HN; S14.HB1 >> 80 84 7.5828 2.7158 116.0918 +6.83e+06 S14.N,HN; S14.HB2 >> 76 84 7.5619 0.2335 116.0731 +5.08e+06 S14.N,HN; L6.HD1# >> 83 84 7.5791 2.8604 116.0389 +5.26e+06 S14.N,HN; D10.HB1 >> 650 86 7.2322 3.7905 115.7626 +8.43e+06 R90.N,HN; V88.HA >> 649 86 7.2388 2.6970 115.7530 +1.22e+07 R90.N,HN; F77.HB2 >> 647 86 7.2347 0.4438 115.7357 +4.86e+07 R90.N,HN; V88.HG1# >> 653 86 7.2392 5.6877 115.7288 +1.63e+07 R90.N,HN; F77.HA >> 924 86 7.2351 1.4108 115.7272 +3.58e+07 R90.N,HN; R90.HB1 >> 925 86 7.2397 2.3937 115.7192 +7.46e+06 R90.N,HN; D89.HB2 >> 652 86 7.2326 4.6289 115.7149 +1.64e+07 R90.N,HN; D89.HA >> 651 86 7.2328 4.5398 115.6347 +2.11e+07 R90.N,HN; R90.HA >> 648 86 7.2289 0.7124 115.6234 +1.78e+07 R90.N,HN; V88.HG2# >> 127 87 8.3075 1.0891 115.4932 +2.12e+07 L21.N,HN; I20.HG2# >> 126 87 8.3042 0.9153 115.4842 +1.50e+07 L21.N,HN; V28.HG2# >> 128 87 8.3039 1.7451 115.4806 +1.63e+07 L21.N,HN; I20.HB >> 129 87 8.3078 4.2379 115.4722 +1.14e+07 L21.N,HN; L21.HA >> 125 87 8.3034 0.7072 115.4645 +2.65e+07 L21.N,HN; L21.HD2# >> 856 87 8.3071 1.9249 115.4599 +1.76e+07 L21.N,HN; L21.HG >> 124 87 8.3003 0.5828 115.4594 +1.78e+07 L21.N,HN; L21.HD1# >> 590 87 8.4632 0.8806 115.4434 +1.06e+07 S81.N,HN; L94.HD1# >> 488 87 7.2223 4.4984 115.4144 +2.49e+07 R68.N,HN; R68.HA >> 596 87 8.4611 4.4290 115.4028 +4.94e+07 S81.N,HN; S81.HA >> 480 87 7.2209 1.7161 115.3949 +4.08e+07 R68.N,HN; R68.HG1|HG2 >> 597 88 8.4625 3.7405 115.3840 +2.76e+07 S81.N,HN; G80.HA2 >> 595 88 8.4604 3.9183 115.3840 +6.18e+07 S81.N,HN; S81.HB1|HB2 >> 593 88 8.4509 1.1945 115.3590 +1.34e+07 C18.N,HN; L21.HB2 >> 484 88 7.2154 3.1342 115.3572 +1.71e+07 R68.N,HN; R68.HD1|HD2 >> 945 88 8.4464 1.5760 115.3557 +1.57e+07 C18.N,HN; L16.HB1 >> 946 88 8.4410 3.1230 115.3550 +1.14e+07 C18.N,HN; C18.HB1 >> 947 88 7.2184 2.1379 115.3363 +3.66e+07 R68.N,HN; Q67.HB1|HB2 >> 105 88 8.4452 0.7239 115.3277 +1.70e+07 C18.N,HN; I17.HG2# >> 482 88 7.2164 2.4737 115.3216 +1.12e+07 R68.N,HN; Q67.HG1 >> 486 88 7.2253 4.1442 115.3192 +1.59e+07 R68.N,HN; Q67.HA >> 104 88 8.4457 0.2443 115.3100 +5.97e+06 C18.N,HN; L6.HD1# >> 852 88 8.4469 1.7611 115.3078 +6.24e+06 C18.N,HN; I20.HB >> 487 88 7.2159 3.9774 115.3050 +9.23e+06 R68.N,HN; L65.HA >> 479 88 7.2190 0.7582 115.2885 +1.34e+07 R68.N,HN; L65.HD1# >> 489 88 7.2165 2.5689 115.2583 +8.37e+06 R68.N,HN; Q67.HG2 >> 247 89 8.1319 0.9987 115.0886 +1.00e+07 L40.N,HN; V36.HG2# >> 255 89 8.1389 3.7289 115.0816 +8.48e+06 L40.N,HN; L39.HA >> 257 89 8.1342 4.1481 115.0376 +6.75e+06 L40.N,HN; A41.HA >> 49 89 7.8830 1.4777 115.0354 +6.95e+06 S8.N,HN; A50.HB# >> 246 89 8.1333 0.7773 115.0312 +5.80e+07 L40.N,HN; L40.HD1# >> 249 89 8.1333 1.4573 115.0226 +3.34e+07 L40.N,HN; L39.HB2 >> 874 89 8.1367 1.7313 115.0168 +3.47e+07 L40.N,HN; L40.HG >> 256 89 8.1367 3.9295 115.0125 +2.65e+07 L40.N,HN; L40.HA >> 254 89 8.1377 3.4813 114.9902 +5.91e+06 L40.N,HN; V36.HA >> 51 90 7.8826 4.5012 114.9671 +8.73e+06 S8.N,HN; V32.HA >> 47 90 7.8915 0.0052 114.9333 +1.83e+07 S8.N,HN; V7.HG1# >> 48 90 7.8894 0.7406 114.9253 +1.46e+07 S8.N,HN; L6.HD2# >> 73 90 8.0502 1.7675 114.9083 +7.06e+06 T13.N,HN; L16.HB2 >> 52 90 7.8905 5.0700 114.8992 +2.64e+07 S8.N,HN; V7.HA >> 50 90 7.8965 4.7655 114.8683 +6.79e+06 S8.N,HN; S8.HA >> 75 90 8.0479 3.7072 114.8463 +3.33e+07 T13.N,HN; T13.HB >> 72 90 8.0481 1.4926 114.8434 +5.08e+07 T13.N,HN; A12.HB# >> 70 90 8.0425 1.0270 114.8099 +1.87e+07 T13.N,HN; T13.HG2# >> 966 91 7.1268 1.2264 114.7609 +1.18e+07 L42.N,HN; T43.HG2# >> 74 91 8.0481 4.1095 114.7245 +1.08e+07 T13.N,HN; A12.HA >> 272 91 7.1248 1.8200 114.7117 +1.76e+07 L42.N,HN; L42.HG >> 967 91 7.1228 1.4760 114.7108 +3.29e+07 L42.N,HN; A41.HB# >> 269 91 7.1195 0.7598 114.7066 +2.70e+07 L42.N,HN; L42.HD2# >> 273 91 7.1259 1.9908 114.7035 +1.25e+07 L42.N,HN; L42.HB1 >> 268 91 7.1224 0.8801 114.6986 +2.14e+07 L42.N,HN; L42.HD1# >> 965 91 7.1278 3.4430 114.6873 +5.55e+06 L42.N,HN; P44.HD2 >> 964 91 7.1157 3.8978 114.6814 +1.08e+07 L42.N,HN; T43.HA >> 276 91 7.1236 4.1286 114.6771 +2.05e+07 L42.N,HN; A41.HA >> 512 94 7.8735 1.3594 114.1433 +1.10e+07 E72.N,HN; T70.HG2# >> 908 94 7.8743 2.2559 114.1317 +3.27e+07 E72.N,HN; E72.HG1 >> 519 94 7.8733 4.4864 114.1261 +8.76e+06 E72.N,HN; P71.HA >> 520 94 7.8751 4.7803 114.1208 +1.41e+07 E72.N,HN; T70.HB >> 513 94 7.8728 1.9638 114.1204 +5.01e+07 E72.N,HN; E72.HB2 >> 515 94 7.8729 4.0428 114.1168 +2.93e+07 E72.N,HN; E72.HA >> 516 94 7.8792 3.8995 114.1147 +1.06e+07 E72.N,HN; P71.HD1|HD2 >> 518 94 7.8743 4.2355 114.1045 +7.28e+06 E72.N,HN; Q73.HA >> 514 94 7.8798 2.6780 114.0797 +9.56e+06 E72.N,HN; P71.HB1 >> 954 96 7.7929 2.0667 113.6904 +2.78e+07 S100.N,HN; P98.HB2 >> 715 96 7.7978 2.3512 113.6788 +1.88e+07 S100.N,HN; E99.HG1|HG2 >> 722 96 7.7945 4.6083 113.6632 +2.24e+07 S100.N,HN; S100.HA >> 721 96 7.7977 4.1174 113.6618 +2.53e+07 S100.N,HN; S100.HB1 >> 720 96 7.7989 3.9290 113.6437 +2.48e+07 S100.N,HN; S100.HB2 >> 777 100 8.2434 3.9912 112.8789 +1.30e+07 T106.N,HN; Q103.HA >> 774 100 8.2510 2.1266 112.8554 +5.14e+06 T106.N,HN; M107.HB1 >> 770 100 8.2421 0.3047 112.8518 +1.89e+07 T106.N,HN; V105.HG2# >> 778 100 8.2469 4.2318 112.8469 +2.30e+07 T106.N,HN; T106.HB >> 776 100 8.2475 3.7694 112.8409 +2.17e+07 T106.N,HN; T106.HA >> 769 100 8.2445 0.0047 112.8373 +1.84e+07 T106.N,HN; V105.HG1# >> 775 100 8.2435 3.2380 112.8365 +8.22e+06 T106.N,HN; V105.HA >> 772 100 8.2485 1.2393 112.8310 +3.83e+07 T106.N,HN; T106.HG2# >> 771 100 8.2406 0.8521 112.8259 +6.26e+06 T106.N,HN; L102.HD2# >> 773 100 8.2462 1.5551 112.8114 +1.93e+07 T106.N,HN; V105.HB >> 841 102 7.9486 4.4060 112.4975 +3.24e+07 T114.N,HN; A113.HA >> 836 102 7.9443 1.4398 112.4720 +7.80e+06 T114.N,HN; A113.HB# >> 838 102 7.9355 4.2868 112.4530 +7.09e+06 T114.N,HN; T114.HB >> 968 105 7.6195 4.7908 111.9342 +1.09e+07 V32.N,HN; L31.HA >> 186 105 7.6221 0.7599 111.8972 +3.29e+07 V32.N,HN; V32.HG1# >> 291 107 8.8057 2.1278 111.4078 +8.53e+06 I45.N,HN; I45.HB >> 290 107 8.8027 1.6650 111.3620 +5.61e+06 I45.N,HN; R3.HB2 >> 289 108 8.7962 1.3561 111.2996 +1.69e+07 I45.N,HN; I45.HG11|HG12 >> 287 108 8.7922 1.0211 111.2947 +1.65e+07 I45.N,HN; A46.HB# >> 293 108 8.7997 4.5663 111.2945 +1.23e+07 I45.N,HN; P44.HA >> 288 108 8.7946 1.1724 111.2793 +2.00e+07 I45.N,HN; I45.HG2# >> 292 108 8.7938 4.6708 111.2688 +1.30e+07 I45.N,HN; I45.HA >> 819 108 7.5956 4.2228 111.1890 +1.16e+07 T110.N,HN; M107.HA >> 816 108 7.5971 1.6623 111.1492 +1.08e+07 T110.N,HN; L109.HB2 >> 942 108 7.5988 4.3608 111.1369 +8.01e+07 T110.N,HN; T110.HA >> 606 108 6.5334 3.3949 111.1266 +1.32e+07 G83.N,HN; G83.HA2 >> 815 109 7.5991 1.2974 111.1108 +5.85e+07 T110.N,HN; T110.HG2# >> 817 109 7.5995 1.9499 111.1079 +1.47e+07 T110.N,HN; L109.HB1 >> 607 109 6.5306 3.5834 111.1021 +4.16e+07 G83.N,HN; K82.HA >> 604 109 6.5274 1.1622 111.0782 +1.90e+07 G83.N,HN; K82.HG1|HG2 >> 605 109 6.5307 1.5547 111.0717 +1.51e+07 G83.N,HN; K82.HD1|HD2 >> 814 109 7.6022 0.7594 111.0658 +2.00e+07 T110.N,HN; L109.HD2# >> 608 109 6.5310 4.0784 111.0594 +7.30e+06 G83.N,HN; G83.HA1 >> 582 113 8.5573 1.1901 110.1955 +8.31e+06 G80.N,HN; I78.HG2# >> 585 113 8.5573 3.7368 110.1948 +1.44e+07 G80.N,HN; G80.HA2 >> 584 113 8.5476 1.8519 110.1933 +8.07e+06 G80.N,HN; I92.HB >> 580 113 8.5535 0.8440 110.1905 +2.88e+07 G80.N,HN; L79.HD1#|HD2# >> 918 113 8.5569 1.5457 110.1787 +2.02e+07 G80.N,HN; L79.HB1|HB2 >> 586 113 8.5561 4.4345 110.1756 +1.52e+07 G80.N,HN; G80.HA1 >> 589 113 8.5417 5.3089 110.1700 +8.03e+06 G80.N,HN; Y91.HA >> 588 113 8.5541 5.5467 110.1689 +3.72e+07 G80.N,HN; L79.HA >> 587 113 8.5555 4.5762 110.1624 +1.32e+07 G80.N,HN; P93.HA >> 581 113 8.5521 1.0434 110.1483 +6.50e+06 G80.N,HN; I92.HG2# >> 366 118 7.3754 3.2035 109.1795 +6.64e+06 G56.N,HN; Y55.HB1 >> 362 119 7.3704 3.7666 109.0913 +3.65e+07 G56.N,HN; G56.HA2 >> 363 119 7.3683 4.2437 109.0829 +2.77e+07 G56.N,HN; G56.HA1 >> 371 119 7.3723 4.7601 109.0708 +3.00e+07 G56.N,HN; Y55.HA >> 199 123 8.4970 3.3870 108.2380 +1.20e+07 G34.N,HN; G34.HA2 >> 198 123 8.5017 2.5839 108.2240 +1.19e+07 G34.N,HN; D33.HB1|HB2 >> 201 123 8.5003 4.7431 108.2190 +2.11e+07 G34.N,HN; D33.HA >> 200 123 8.4986 3.9555 108.2178 +1.04e+07 G34.N,HN; G34.HA1 >> 282 125 7.6435 3.4454 107.8212 +1.08e+07 T43.N,HN; P44.HD2 >> 277 125 7.6382 0.7532 107.8186 +1.78e+07 T43.N,HN; L42.HD2# >> 283 125 7.6402 3.5486 107.8161 +9.64e+06 T43.N,HN; P44.HD1 >> 286 125 7.6382 4.4247 107.8098 +1.63e+07 T43.N,HN; T43.HB >> 279 125 7.6399 1.2167 107.7945 +5.93e+07 T43.N,HN; T43.HG2# >> 284 125 7.6403 3.8844 107.7906 +5.04e+07 T43.N,HN; T43.HA >> 281 125 7.6396 1.7917 107.7868 +6.43e+06 T43.N,HN; L40.HB1 >> 285 125 7.6390 4.1363 107.7837 +1.15e+07 T43.N,HN; A41.HA >> 278 125 7.6296 0.9479 107.7733 +7.39e+06 T43.N,HN; V5.HG2# >> 280 125 7.6381 1.4604 107.7418 +9.61e+06 T43.N,HN; A41.HB# >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 HN . 'not observed' 9615.385 Hz 2828.00 . . 30093 2 >> 2 N 15 N . folded 1583.899 Hz 7278.86 . . 30093 2 >> 3 H 1 H-aliphatic . 'not observed' 5590.535 Hz 2828.00 . . 30093 2 >> >> stop_ >> >> loop_ >> _Spectral_peak_software.Software_ID >> _Spectral_peak_software.Software_label >> _Spectral_peak_software.Method_ID >> _Spectral_peak_software.Method_label >> _Spectral_peak_software.Entry_ID >> _Spectral_peak_software.Spectral_peak_list_ID >> >> 3 $software_3 . . 30093 2 >> 5 $software_5 . . 30093 2 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_3 _Saveframe_category spectral_peak_list _Details ; Residue numbering for CikA is offset by 612. For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. ; loop_ _Software_label $software_3 $software_5 stop_ _Experiment_label '3D 13C edited 1H-13C NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H-aliphatic 2 C C-aliphatic 3 H H-aliphatic stop_ _Sample_label $sample_2 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_3 >> _Spectral_peak_list.Entry_ID 30093 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $sample_2 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 15 >> _Spectral_peak_list.Experiment_name '3D 13C edited 1H-13C NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details >>; >>Residue numbering for CikA is offset by 612. >>For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. >>; >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Peak Pick Table, File: c13noesy_combine_v9.PCK >> >># >># Input Parameters: >> DATA DIMCOUNT 3 >> DATA X_AXIS 256 4027.58 601.13 3817.188 PPM 0.00 >> DATA Y_AXIS 1024 7211.54 601.13 5409.165 PPM 0.00 >> DATA Z_AXIS 128 3023.20 151.16 7830.098 PPM 0.00 >># >>FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s >>VARS PkID Sl.Z X Y Z Intensity Assign >> 1902 1 4.8968 2.3651 51.7710 +1.46e+07 V32.CB,HB; E9.HA >> 1321 1 0.6680 1.9261 51.7336 +1.74e+07 V7.CB,HB; V7.HG2# >> 1273 2 0.7488 2.3551 51.7131 +9.20e+07 V32.CB,HB; V32.HG1# >> 1632 2 -0.0909 1.1853 51.7061 +7.45e+07 V58.CB,HB; V58.HG1# >> 651 2 3.3187 1.1732 51.7009 +2.78e+07 V58.CB,HB; V58.HA >> 340 2 4.5197 2.3557 51.6962 +2.96e+07 V32.CB,HB; V32.HA >> 1631 2 0.2350 1.1818 51.6806 +8.33e+07 V58.CB,HB; V58.HG2# >> 1154 2 3.2333 1.5698 51.6457 +1.13e+07 V105.CB,HB; V105.HA >> 106 2 4.8831 2.1105 51.6259 +1.31e+07 E9.CB,HB2; E9.HA >> 1320 3 -0.0307 1.9051 51.5551 +1.42e+07 V7.CB,HB; V7.HG1# >> 1157 3 0.3194 1.5675 51.5040 +3.65e+07 V105.CB,HB; V105.HG2# >> 1155 3 3.6513 1.5690 51.4810 +1.20e+07 V105.CB,HB; L102.HA >> 1156 3 0.0094 1.5580 51.4721 +2.98e+07 V105.CB,HB; V105.HG1# >> 2027 4 -0.0680 8.7796 51.3312 +9.32e+06 **** >> 1040 6 2.0090 3.8142 51.0628 +1.19e+07 P93.CD,HD1|HD2; P93.HG1|HG2 >> 603 8 1.4758 5.3495 50.6607 +4.01e+07 A50.CA,HA; A50.HB# >> 1606 8 1.5847 5.3498 50.6576 +2.54e+07 A50.CA,HA; L79.HB1|HB2 >> 1257 9 2.2946 2.1188 50.6060 +1.19e+08 Q117.CB,HB1; Q117.HG1|HG2 >> 1607 9 0.8354 5.3482 50.5909 +2.06e+07 A50.CA,HA; L79.HD1#|HD2# >> 1569 9 0.6788 5.3830 50.5031 +2.28e+07 A46.CA,HA; L74.HD1# >> 522 9 1.0297 5.3836 50.4727 +3.10e+07 A46.CA,HA; A46.HB# >> 117 11 4.1445 2.2357 50.3006 +2.16e+07 E11.CB,HB1|HB2; E11.HA >> 1382 11 2.4850 2.2447 50.2450 +4.69e+07 E11.CB,HB1|HB2; E11.HG1 >> 1234 12 1.2992 4.3371 50.0582 +2.85e+08 T110.CB,HB; T110.HG2# >> 473 14 3.8791 4.4230 49.7807 +4.63e+07 T43.CB,HB; T43.HA >> 1255 14 1.2385 4.2805 49.7753 +1.04e+08 T114.CB,HB; T114.HG2# >> 477 14 1.2116 4.4214 49.7501 +1.67e+08 T43.CB,HB; T43.HG2# >> 1754 15 4.4988 2.0624 49.6687 +2.22e+07 Q86.CB,HB1; Q86.HA >> 1096 16 2.3491 2.0683 49.4668 +1.84e+08 E99.CB,HB1; E99.HG1|HG2 >> 1095 16 4.1448 2.0685 49.4635 +5.57e+07 E99.CB,HB1; E99.HA >> 807 16 4.0529 1.9547 49.4579 +1.96e+07 E72.CB,HB2; E72.HA >> 921 19 2.9502 1.5549 49.0125 +1.02e+08 K82.CD,HD1|HD2; K82.HE1|HE2 >> 922 19 3.5785 1.5475 49.0071 +1.78e+07 K82.CD,HD1|HD2; K82.HA >> 923 19 1.1760 1.5511 48.9952 +1.30e+08 K82.CD,HD1|HD2; K82.HG1|HG2 >> 1679 19 2.6003 2.1641 48.9809 +2.28e+07 Q67.CB,HB1|HB2; Q67.HG2 >> 313 19 1.5364 1.3224 48.9383 +2.03e+07 I29.CG1,HG11; I29.HG12 >> 314 19 0.8852 1.3215 48.9351 +2.69e+07 I29.CG1,HG11; I29.HG2# >> 1514 20 3.9384 1.9867 48.8936 +1.94e+07 E37.CB,HB2; E37.HA >> 761 20 4.1431 2.1639 48.8643 +3.32e+07 Q67.CB,HB1|HB2; Q67.HA >> 1191 20 2.1965 4.2507 48.8169 +1.70e+07 T106.CB,HB; Q103.HB1|HB2 >> 764 20 2.4562 2.1584 48.7893 +4.20e+07 Q67.CB,HB1|HB2; Q67.HG1 >> 245 21 3.7518 4.3679 48.7335 +1.25e+07 T23.CB,HB; I20.HA >> 242 21 4.0244 4.3539 48.7299 +4.03e+07 T23.CB,HB; T23.HA >> 1187 21 1.2466 4.2401 48.7166 +1.34e+08 T106.CB,HB; T106.HG2# >> 247 21 1.3091 4.3494 48.7118 +1.31e+08 T23.CB,HB; T23.HG2# >> 1184 21 3.7802 4.2480 48.6948 +3.21e+07 T106.CB,HB; T106.HA >> 1185 21 3.9975 4.2406 48.6386 +3.47e+07 T106.CB,HB; Q103.HA >> 1728 22 0.6598 1.2809 48.5236 +2.15e+07 I78.CG1,HG12; I78.HD1# >> 560 22 0.8445 1.6020 48.5035 +6.80e+07 L48.CG,HG; L48.HD2# >> 1520 22 0.7847 1.6915 48.4482 +8.43e+07 L39.CG,HG; L39.HD1# >> 236 23 1.1455 4.2831 48.4069 +3.88e+07 T22.CB,HB; T22.HG2# >> 423 23 1.8236 1.6882 48.3995 +3.71e+07 L39.CG,HG; L39.HB1 >> 424 23 1.4789 1.6902 48.3930 +4.48e+07 L39.CG,HG; L39.HB2 >> 421 23 3.7351 1.6875 48.3898 +2.59e+07 L39.CG,HG; L39.HA >> 559 23 0.7144 1.5900 48.3850 +8.02e+07 L48.CG,HG; L48.HD1# >> 1519 23 0.9784 1.6930 48.3424 +3.87e+07 L39.CG,HG; V5.HG1# >> 1586 23 1.0382 1.5965 48.3097 +1.58e+07 L48.CG,HG; A46.HB# >> 889 24 5.5660 1.6141 48.2774 +1.29e+07 L79.CG,HG; L79.HA >> 832 24 2.9865 1.5246 48.2421 +1.58e+07 K75.CD,HD2; K75.HE2 >> 139 24 1.2294 4.1361 48.2343 +6.71e+07 T15.CB,HB; T15.HG2# >> 234 24 4.6842 4.2633 48.1975 +1.05e+07 T22.CB,HB; T22.HA >> 791 24 3.8856 4.7639 48.1622 +1.09e+07 T70.CB,HB; P71.HD1|HD2 >> 1137 24 2.3984 2.1987 48.1600 +6.45e+07 Q103.CB,HB1|HB2; Q103.HG1 >> 1134 24 3.9840 2.1911 48.1511 +2.64e+07 Q103.CB,HB1|HB2; Q103.HA >> 1835 24 4.5779 2.1858 48.1481 +1.49e+07 Q103.CB,HB1|HB2; S100.HA >> 792 25 1.3538 4.7740 48.0878 +4.35e+07 T70.CB,HB; T70.HG2# >> 129 25 1.0392 3.7061 48.0871 +7.61e+07 T13.CB,HB; T13.HG2# >> 831 26 4.9387 1.5291 47.9511 +1.17e+07 K75.CD,HD2; K75.HA >> 1769 26 0.4425 1.4387 47.9174 +1.47e+07 R90.CG,HG2; I92.HD1# >> 130 26 1.4893 3.7013 47.8865 +1.22e+07 T13.CB,HB; A12.HB# >> 975 27 4.5551 1.4569 47.7990 +1.32e+07 R90.CG,HG2; R90.HA >> 974 27 4.5412 1.3910 47.7863 +1.17e+07 R90.CG,HG1; R90.HA >> 710 27 2.0721 3.2403 47.7858 +1.12e+07 V62.CA,HA; V62.HB >> 977 27 3.0551 1.3894 47.7845 +1.43e+07 R90.CG,HG1; R90.HD1 >> 979 27 2.8753 1.4391 47.7794 +1.77e+07 R90.CG,HG2; R90.HD2 >> 976 27 3.0409 1.4428 47.7763 +1.92e+07 R90.CG,HG2; R90.HD1 >> 712 27 0.7160 3.2447 47.7309 +5.58e+07 V62.CA,HA; V62.HG2# >> 711 27 0.9120 3.2512 47.7224 +2.58e+07 V62.CA,HA; V62.HG1# >> 978 27 2.8708 1.3936 47.6896 +1.65e+07 R90.CG,HG1; R90.HD2 >> 981 27 0.4579 1.3731 47.6758 +1.74e+07 R90.CG,HG1; I92.HD1# >> 1367 27 0.7458 1.2306 47.6597 +2.30e+07 L6.CG,HG; L6.HD2# >> 140 28 1.2355 3.4769 47.6126 +2.62e+07 T15.CA,HA; T15.HG2# >> 696 28 0.8305 1.5641 47.6091 +1.05e+08 L61.CG,HG; L61.HD2# >> 1017 28 0.4530 1.3646 47.6056 +1.72e+07 I92.CG1,HG11; I92.HD1# >> 1684 29 3.9520 1.7152 47.4593 +1.25e+07 R68.CG,HG1|HG2; Q64.HA >> 694 29 4.0258 1.5464 47.4376 +2.11e+07 L61.CG,HG; L61.HA >> 778 29 2.0954 1.7138 47.4264 +3.39e+07 R68.CG,HG1|HG2; R68.HB1 >> 1530 29 3.1414 1.7136 47.4250 +7.63e+07 R68.CG,HG1|HG2; R68.HD1|HD2 >> 1649 29 3.2948 1.5504 47.4166 +1.15e+07 L61.CG,HG; V58.HA >> 776 29 4.4735 1.7104 47.3655 +3.30e+07 R68.CG,HG1|HG2; R68.HA >> 1685 29 2.4738 1.7247 47.3645 +1.37e+07 R68.CG,HG1|HG2; Q67.HG1 >> 1686 30 0.7889 1.7153 47.2550 +6.00e+07 R68.CG,HG1|HG2; L40.HD2# >> 1037 31 3.8074 2.0441 47.1464 +1.74e+07 P93.CG,HG1|HG2; P93.HD1|HD2 >> 1247 31 4.4051 1.6604 47.1348 +5.08e+07 L112.CG,HG; L112.HA >> 1038 31 2.2932 2.0223 47.1123 +1.95e+07 P93.CG,HG1|HG2; P93.HB1 >> 1039 31 1.8837 2.0261 47.0984 +1.97e+07 P93.CG,HG1|HG2; P93.HB2 >> 1496 32 1.8307 3.4893 47.0193 +1.84e+07 V36.CA,HA; L39.HB1 >> 1548 32 1.9786 0.8997 47.0187 +1.98e+07 L42.CD1,HD1#; L42.HB1 >> 1831 32 1.2456 1.6208 47.0047 +1.58e+07 L102.CG,HG; T106.HG2# >> 149 32 0.8637 1.3496 46.9920 +4.38e+07 L16.CG,HG; L16.HD1# >> 1497 32 1.4743 3.4785 46.9843 +1.80e+07 V36.CA,HA; L39.HB2 >> 148 32 4.0960 1.3434 46.9636 +1.30e+07 L16.CG,HG; L16.HA >> 1806 32 0.8307 1.0669 46.9580 +2.50e+07 I96.CG1,HG11|HG12; L79.HD1#|HD2# >> 1324 32 0.9876 3.4923 46.9562 +5.88e+07 V36.CA,HA; V36.HG2# >> 1302 32 2.0551 3.4916 46.9301 +4.14e+07 V36.CA,HA; V36.HB >> 1072 32 0.4215 1.0687 46.9116 +3.46e+07 I96.CG1,HG11|HG12; I96.HG2# >> 1071 32 1.6648 1.0656 46.9101 +1.82e+07 I96.CG1,HG11|HG12; I96.HB >> 235 32 1.1444 4.7064 46.9032 +3.74e+07 T22.CA,HA; T22.HG2# >> 1498 32 0.7912 3.4900 46.8969 +7.08e+07 V36.CA,HA; L61.HD1# >> 1073 32 0.2159 1.0636 46.8917 +3.84e+07 I96.CG1,HG11|HG12; I96.HD1# >> 1900 32 1.4824 0.8918 46.8880 +3.32e+07 L42.CD1,HD1#; A41.HB# >> 1192 33 0.7421 3.7766 46.8781 +2.68e+07 T106.CA,HA; L109.HD1# >> 824 33 4.4641 0.6552 46.8743 +1.80e+07 L74.CD2,HD2#; L74.HA >> 439 33 3.9202 1.7083 46.8709 +1.17e+07 L40.CG,HG; L40.HA >> 1093 33 2.0638 3.9538 46.8590 +1.54e+07 P98.CA,HA; P98.HB2 >> 464 33 0.8884 1.8378 46.8447 +4.11e+07 L42.CG,HG; L42.HD1# >> 468 33 1.8412 0.8932 46.8410 +5.51e+07 L42.CD1,HD1#; L42.HG >> 828 33 1.1808 0.6479 46.8227 +6.01e+07 L74.CD2,HD2#; L74.HG >> 466 33 4.0989 0.8984 46.8140 +1.42e+07 L42.CD1,HD1#; L42.HA >> 465 33 0.7603 1.8272 46.8070 +2.57e+07 L42.CG,HG; L42.HD2# >> 1188 33 1.2481 3.7749 46.8030 +6.94e+07 T106.CA,HA; T106.HG2# >> 825 33 2.4932 0.6451 46.7971 +9.82e+06 L74.CD2,HD2#; C69.HB2 >> 1899 33 3.7371 0.8992 46.7898 +1.65e+07 L42.CD1,HD1#; L39.HA >> 1702 33 1.7360 0.6542 46.7455 +2.03e+07 L74.CD2,HD2#; V47.HB >> 1186 33 4.2312 3.7753 46.7359 +3.16e+07 T106.CA,HA; T106.HB >> 1853 33 1.5561 3.7794 46.7302 +1.06e+07 T106.CA,HA; V105.HB >> 1190 34 1.9600 3.7708 46.7029 +1.34e+07 T106.CA,HA; L109.HG >> 1534 34 3.9406 0.7941 46.6099 +7.13e+07 L40.CD2,HD2#; L40.HA >> 426 34 3.7172 0.7802 46.5971 +1.99e+07 L39.CD1,HD1#; L39.HA >> 599 35 4.8955 0.5786 46.5566 +1.33e+07 L49.CD2,HD2#; L49.HA >> 1538 35 2.2347 0.7895 46.5286 +1.19e+07 L40.CD2,HD2#; E37.HG1 >> 243 35 4.3518 4.0258 46.5242 +4.22e+07 T23.CA,HA; T23.HB >> 248 35 1.3104 4.0217 46.5213 +8.32e+07 T23.CA,HA; T23.HG2# >> 1955 35 0.7530 1.3590 46.5136 +2.97e+07 I45.CG1,HG11|HG12; L109.HD2# >> 250 35 1.1614 4.0425 46.5135 +1.20e+07 T23.CA,HA; T22.HG2# >> 1521 35 3.4856 0.7839 46.5110 +6.43e+07 L39.CD1,HD1#; V36.HA >> 1525 35 0.6474 0.7867 46.4975 +1.76e+08 L39.CD1,HD1#; V7.HG2# >> 1524 35 0.9927 0.7854 46.4949 +1.42e+08 L39.CD1,HD1#; V36.HG2# >> 451 35 2.0443 0.7903 46.4940 +5.23e+07 L40.CD2,HD2#; R68.HB1 >> 246 35 3.7354 4.0307 46.4875 +1.00e+07 T23.CA,HA; I20.HA >> 503 35 2.1425 1.3640 46.4759 +1.26e+07 I45.CG1,HG11|HG12; I45.HB >> 1215 35 4.3674 1.9502 46.4728 +9.98e+06 L109.CG,HG; L109.HA >> 508 35 1.0409 1.3682 46.4582 +4.22e+07 I45.CG1,HG11|HG12; I45.HD1# >> 1675 35 0.7570 1.9607 46.4571 +5.71e+07 L65.CG,HG; L65.HD1# >> 73 35 1.3684 1.0307 46.4546 +1.14e+07 L6.CB,HB2; L48.HB2 >> 601 35 -0.0859 0.5748 46.4454 +3.46e+07 L49.CD2,HD2#; V58.HG1# >> 1747 35 1.0536 0.8417 46.4266 +1.15e+08 L79.CD1|CD2,HD1#|HD2#; I96.HG11|HG12 >> 509 35 1.1743 1.3719 46.4203 +1.83e+07 I45.CG1,HG11|HG12; I45.HG2# >> 1604 35 1.5357 0.5748 46.4201 +5.45e+07 L49.CD2,HD2#; L49.HG >> 602 36 0.2438 0.5767 46.3848 +5.03e+07 L49.CD2,HD2#; L6.HD1# >> 593 36 0.5814 1.5152 46.3834 +3.53e+07 L49.CG,HG; L49.HD2# >> 1536 36 3.1539 0.7953 46.3830 +4.03e+07 L40.CD2,HD2#; R68.HD1|HD2 >> 600 36 2.0308 0.5825 46.3828 +1.44e+07 L49.CD2,HD2#; L49.HB1 >> 1326 36 0.7166 3.1020 46.3669 +3.65e+07 I17.CA,HA; I17.HG2# >> 1595 36 0.4272 0.8387 46.3428 +2.91e+08 L79.CD1|CD2,HD1#|HD2#; I96.HG2# >> 1327 36 0.4026 3.1051 46.3331 +1.64e+07 I17.CA,HA; I17.HD1# >> 1596 36 0.2241 0.8423 46.3286 +2.19e+08 L79.CD1|CD2,HD1#|HD2#; I96.HD1# >> 891 36 5.5585 0.8379 46.3276 +5.72e+07 L79.CD1|CD2,HD1#|HD2#; L79.HA >> 1216 36 0.8296 1.9451 46.3129 +6.57e+07 L65.CG,HG; L61.HD2# >> 1605 36 3.3366 0.5801 46.2976 +9.39e+06 L49.CD2,HD2#; V58.HA >> 1597 36 0.0067 0.8367 46.2850 +4.55e+07 L48.CD2,HD2#; V105.HG1# >> 1397 36 1.0595 3.1001 46.2837 +1.20e+07 I17.CA,HA; I20.HG2# >> 1970 36 1.5906 0.8412 46.2561 +2.02e+08 L48.CD2,HD2#; L48.HG >> 1625 37 1.5834 3.3159 46.2419 +1.67e+07 V58.CA,HA; L49.HB2 >> 1742 37 5.3353 0.8350 46.2251 +2.57e+07 L79.CD1|CD2,HD1#|HD2#; A50.HA >> 645 37 1.1870 3.3205 46.1839 +2.97e+07 V58.CA,HA; V58.HB >> 1991 37 5.1167 0.8435 46.1553 +2.39e+07 L79.CD1|CD2,HD1#|HD2#; L48.HA >> 1628 37 0.6833 3.3258 46.1541 +1.61e+07 V58.CA,HA; V62.HG2# >> 1842 37 0.7402 3.2376 46.1461 +1.45e+07 V105.CA,HA; L109.HD1# >> 650 37 0.2406 3.3195 46.1428 +5.55e+07 V58.CA,HA; V58.HG2# >> 649 37 -0.0859 3.3159 46.1337 +3.79e+07 V58.CA,HA; V58.HG1# >> 1150 38 0.3210 3.2341 46.0731 +4.96e+07 V105.CA,HA; V105.HG2# >> 1149 38 0.0085 3.2320 46.0482 +4.44e+07 V105.CA,HA; V105.HG1# >> 1148 38 1.5600 3.2406 46.0462 +1.71e+07 V105.CA,HA; V105.HB >> 1372 38 1.4523 0.2569 46.0406 +2.15e+07 L6.CD1,HD1#; A50.HB# >> 1843 38 0.4555 3.2418 46.0270 +1.51e+07 V105.CA,HA; I92.HD1# >> 1790 38 3.7316 0.8896 46.0259 +4.03e+07 L94.CD1,HD1#; G80.HA2 >> 1792 38 1.4888 0.8923 46.0206 +1.40e+08 L94.CD1,HD1#; L94.HG >> 333 38 4.8055 0.8462 46.0189 +1.55e+07 L31.CD2,HD2#; L31.HA >> 1046 38 0.2314 0.8971 46.0187 +2.84e+07 L94.CD1,HD1#; I96.HD1# >> 62 38 1.2083 0.2523 46.0149 +4.09e+07 L6.CD1,HD1#; L6.HG >> 1371 38 1.6147 0.2579 46.0140 +2.99e+07 L6.CD1,HD1#; L6.HB1 >> 1368 38 3.3739 0.2538 46.0087 +3.57e+07 L6.CD1,HD1#; S8.HB2 >> 1373 38 0.9922 0.2549 46.0037 +4.93e+07 L6.CD1,HD1#; L6.HB2 >> 1217 38 4.3784 0.7271 46.0033 +2.28e+07 L109.CD1,HD1#; L109.HA >> 1374 38 0.4047 0.2540 46.0000 +4.24e+07 L6.CD1,HD1#; I17.HD1# >> 1627 38 0.8180 3.3166 45.9957 +2.60e+07 V58.CA,HA; L61.HD2# >> 1745 38 3.7307 0.8464 45.9862 +3.15e+07 L79.CD1|CD2,HD1#|HD2#; G80.HA2 >> 1789 38 4.4252 0.8952 45.9749 +4.24e+07 L94.CD1,HD1#; P95.HA >> 1861 38 1.9560 0.7245 45.9425 +1.02e+08 L109.CD1,HD1#; L109.HG >> 1370 39 2.7046 0.2478 45.8737 +1.83e+07 L6.CD1,HD1#; F77.HB2 >> 1587 39 2.7150 0.6995 45.8662 +1.88e+07 L48.CD1,HD1#; F77.HB2 >> 813 39 0.6463 1.3201 45.8635 +1.59e+07 L74.CB,HB1; L74.HD2# >> 1862 39 0.1373 0.7136 45.8589 +1.54e+08 L48.CD1,HD1#; I4.HD1# >> 1863 39 0.0040 0.7079 45.8463 +1.17e+08 L109.CD1,HD1#; V105.HG1# >> 562 39 5.1004 0.7082 45.8306 +4.12e+07 L48.CD1,HD1#; L48.HA >> 160 39 1.3343 0.7566 45.7946 +7.42e+07 L16.CD2,HD2#; L16.HG >> 568 40 1.5877 0.7117 45.7599 +2.25e+08 L48.CD1,HD1#; L48.HG >> 1394 40 0.4172 0.7585 45.7384 +1.21e+08 L16.CD2,HD2#; I17.HD1# >> 1329 40 1.0540 3.7136 45.6980 +7.38e+07 T13.CA,HA; T13.HG2# >> 433 41 3.7297 0.7587 45.6086 +6.54e+07 L39.CD2,HD2#; L39.HA >> 1526 41 2.2165 0.7678 45.5867 +1.89e+07 L39.CD2,HD2#; P44.HB1 >> 2025 41 1.6606 0.9557 45.5386 +5.15e+08 L102.CD1,HD1#; A24.HB# >> 1974 41 0.2403 0.7862 45.5337 +1.36e+08 L61.CD1,HD1#; V58.HG2# >> 1395 41 1.7124 0.7619 45.5181 +2.24e+08 L39.CD2,HD2#; L39.HG >> 1120 42 3.6480 0.9633 45.4682 +3.56e+07 L102.CD1,HD1#; L102.HA >> 1653 42 -0.0127 0.7857 45.4511 +4.00e+07 L39.CD2,HD2#; V7.HG1# >> 1527 42 0.9838 0.7607 45.4260 +2.67e+08 L39.CD2,HD2#; V5.HG2# >> 1651 42 2.0556 0.7921 45.4204 +3.64e+07 L61.CD1,HD1#; Q64.HB2 >> 1650 42 3.3643 0.7893 45.3990 +3.51e+07 L61.CD1,HD1#; G34.HA2 >> 1406 43 0.9544 3.8942 45.1616 +3.80e+07 C18.CA,HA; V28.HG2# >> 1407 44 0.7162 3.8918 45.1223 +1.16e+07 C18.CA,HA; I17.HG2# >> 799 44 2.1908 4.5064 45.0619 +1.67e+07 P71.CA,HA; P71.HG2 >> 800 44 1.8695 4.4996 45.0349 +3.07e+07 P71.CA,HA; P71.HB2 >> 798 44 2.6835 4.4921 45.0035 +2.98e+07 P71.CA,HA; P71.HB1 >> 910 46 3.5832 1.1699 44.7049 +3.71e+07 K82.CG,HG1|HG2; K82.HA >> 918 47 1.6628 1.1660 44.6796 +5.07e+07 K82.CG,HG1|HG2; K82.HB1 >> 911 47 2.9533 1.1674 44.6504 +7.20e+07 K82.CG,HG1|HG2; K82.HE1|HE2 >> 1599 47 5.0723 0.7100 44.6408 +1.82e+07 L49.CD1,HD1#; I78.HA >> 1603 47 -0.0154 0.7087 44.5752 +5.84e+07 L49.CD1,HD1#; V7.HG1# >> 591 47 4.8867 0.7074 44.5691 +4.80e+07 L49.CD1,HD1#; L49.HA >> 1600 47 1.9337 0.7066 44.5688 +5.29e+07 L49.CD1,HD1#; V7.HB >> 1602 47 0.2469 0.7103 44.5503 +7.85e+07 L49.CD1,HD1#; V58.HG2# >> 364 47 4.7484 2.5786 44.5439 +2.11e+07 D33.CB,HB1|HB2; D33.HA >> 1601 48 1.5414 0.7046 44.5287 +6.89e+07 L49.CD1,HD1#; L49.HG >> 1655 48 -0.0460 0.8332 44.4995 +2.90e+07 L61.CD2,HD2#; V7.HG1# >> 1660 48 3.4667 0.8353 44.4765 +2.89e+07 L61.CD2,HD2#; V36.HA >> 1797 48 2.3654 1.8762 44.4594 +1.41e+07 P95.CG,HG2; P95.HB1 >> 706 48 1.5597 0.8388 44.4475 +1.43e+08 L61.CD2,HD2#; L61.HG >> 1658 48 2.0418 0.8396 44.4455 +6.91e+07 L61.CD2,HD2#; L49.HB1 >> 701 48 4.0309 0.8383 44.4415 +1.05e+08 L61.CD2,HD2#; L61.HA >> 1659 48 3.3331 0.8430 44.4387 +4.16e+07 L61.CD2,HD2#; V58.HA >> 1654 48 0.2456 0.8398 44.4367 +1.18e+08 L61.CD2,HD2#; V58.HG2# >> 1701 49 0.8224 0.6688 44.3589 +3.18e+08 L74.CD1,HD1#; V47.HG2# >> 816 49 5.3786 0.6645 44.3458 +3.37e+07 L74.CD1,HD1#; A46.HA >> 1656 49 0.9912 0.8395 44.3403 +1.75e+08 L61.CD2,HD2#; V36.HG2# >> 1696 49 4.6548 0.6641 44.3382 +3.35e+07 L74.CD1,HD1#; I45.HA >> 818 49 3.8736 0.6560 44.3319 +1.73e+07 L74.CD1,HD1#; T43.HA >> 1698 49 1.7347 0.6646 44.3234 +6.28e+07 L74.CD1,HD1#; P44.HB2 >> 814 49 4.4664 0.6630 44.3028 +1.09e+08 L74.CD1,HD1#; L74.HA >> 1700 49 1.0086 0.6653 44.2983 +7.69e+07 L74.CD1,HD1#; A46.HB# >> 1697 49 2.1852 0.6667 44.2907 +2.01e+07 L74.CD1,HD1#; P44.HB1 >> 821 49 1.1920 0.6653 44.2895 +1.05e+08 L74.CD1,HD1#; L74.HG >> 1467 49 1.1682 0.9362 44.2426 +2.11e+07 V28.CG2,HG2#; L21.HB2 >> 1468 50 5.0627 0.9236 44.1745 +3.18e+07 V28.CG2,HG2#; V28.HA >> 295 50 1.9960 0.9260 44.1084 +9.40e+07 V28.CG2,HG2#; V28.HB >> 1465 50 0.5898 0.9250 44.0964 +7.31e+07 V28.CG2,HG2#; I4.HG2# >> 1469 50 3.8959 0.9307 44.0830 +4.12e+07 V28.CG2,HG2#; C18.HA >> 1464 51 0.4168 0.9245 44.0191 +2.09e+07 V28.CG2,HG2#; I17.HD1# >> 1466 51 0.7203 0.9235 44.0127 +1.50e+08 V28.CG2,HG2#; I17.HG2# >> 1317 51 5.1469 0.7273 44.0096 +1.97e+07 L6.CD2,HD2#; L6.HA >> 1375 51 3.3822 0.7423 43.9678 +1.62e+07 L6.CD2,HD2#; S8.HB2 >> 66 51 1.2225 0.7385 43.9674 +4.15e+07 L6.CD2,HD2#; L6.HG >> 726 51 0.2518 0.7399 43.9550 +1.16e+08 L6.CD2,HD2#; L6.HD1# >> 332 51 4.7972 0.8079 43.9284 +6.39e+07 L31.CD1,HD1#; L31.HA >> 68 51 0.4119 0.7417 43.9238 +5.15e+07 L6.CD2,HD2#; I17.HD1# >> 1463 52 0.1492 0.9168 43.8702 +3.91e+07 V28.CG2,HG2#; I4.HD1# >> 1909 52 3.6307 0.8735 43.8312 +8.43e+07 L102.CD2,HD2#; L102.HA >> 1127 52 0.0150 0.8716 43.8231 +5.04e+07 L102.CD2,HD2#; V105.HG1# >> 1126 52 3.6307 0.8735 43.7554 +8.43e+07 L102.CD2,HD2#; L102.HA >> 1248 53 4.4078 0.8884 43.7279 +4.14e+08 L112.CD1,HD1#; L112.HA >> 748 53 3.9665 0.7644 43.6951 +1.00e+08 L65.CD1,HD1#; L65.HA >> 1250 53 2.9834 0.8831 43.6686 +3.04e+07 L112.CD1,HD1#; K75.HE2 >> 1795 54 0.4273 0.8411 43.5745 +1.11e+08 L94.CD2,HD2#; I96.HG2# >> 1047 54 4.3084 0.8335 43.5708 +1.16e+08 L94.CD2,HD2#; L94.HA >> 1667 54 3.8147 0.7002 43.5674 +2.90e+07 V62.CG2,HG2#; Q59.HA >> 714 54 3.2510 0.7039 43.5645 +6.38e+07 V62.CG2,HG2#; V62.HA >> 1794 54 0.2186 0.8341 43.5627 +1.12e+08 L94.CD2,HD2#; I96.HD1# >> 1669 54 0.4662 0.7049 43.5618 +6.92e+07 V62.CG2,HG2#; V88.HG1# >> 719 54 2.0642 0.7063 43.5603 +8.60e+07 V62.CG2,HG2#; V62.HB >> 1670 54 -0.0857 0.7034 43.5515 +8.42e+07 V62.CG2,HG2#; V58.HG1# >> 1793 54 1.0491 0.8319 43.5505 +1.64e+08 L94.CD2,HD2#; I96.HG11|HG12 >> 1868 55 1.9629 0.7753 43.3610 +1.20e+08 L109.CD2,HD2#; L109.HG >> 1870 55 1.0246 0.7759 43.3161 +2.47e+08 L109.CD2,HD2#; I45.HD1# >> 1223 56 4.3776 0.7762 43.2747 +1.33e+08 L109.CD2,HD2#; L109.HA >> 1867 56 2.9724 0.7719 43.2697 +2.34e+07 L109.CD2,HD2#; K75.HE2 >> 1872 56 0.3162 0.7754 43.2655 +1.03e+08 L109.CD2,HD2#; V105.HG2# >> 1866 56 3.7594 0.7748 43.2583 +1.85e+07 L109.CD2,HD2#; T106.HA >> 1871 56 0.1468 0.7770 43.2441 +5.89e+07 L109.CD2,HD2#; I4.HD1# >> 150 56 4.1012 0.8637 43.2286 +2.07e+08 L16.CD1,HD1#; L16.HA >> 1676 56 4.3776 0.7762 43.2062 +1.33e+08 L109.CD2,HD2#; L109.HA >> 152 56 1.3449 0.8637 43.1988 +1.26e+08 L16.CD1,HD1#; L16.HG >> 1031 57 3.7978 4.5724 43.1077 +1.08e+07 P93.CA,HA; P93.HD1|HD2 >> 156 57 0.2226 0.8704 43.1005 +5.93e+07 L16.CD1,HD1#; I96.HD1# >> 463 57 4.1047 1.9945 43.0911 +1.02e+07 L42.CB,HB1; L42.HA >> 1034 57 1.8780 4.5922 43.0337 +3.28e+07 P93.CA,HA; P93.HB2 >> 540 57 1.7565 0.8549 43.0201 +1.69e+08 V47.CG1,HG1#; V47.HB >> 1032 57 2.2988 4.5856 42.9983 +4.08e+07 P93.CA,HA; P93.HB1 >> 1533 57 1.7152 0.7735 42.9827 +1.94e+08 L40.CD1,HD1#; L40.HG >> 1510 58 2.2635 0.9884 42.9656 +4.61e+07 V36.CG2,HG2#; E60.HG2 >> 538 58 5.0328 0.8513 42.9565 +3.13e+07 V47.CG1,HG1#; V47.HA >> 1033 58 2.0341 4.5867 42.9490 +2.72e+07 P93.CA,HA; P93.HG1|HG2 >> 1531 58 3.9340 0.7725 42.9471 +1.93e+08 L40.CD1,HD1#; L40.HA >> 378 58 3.4894 0.9896 42.9308 +1.29e+08 V36.CG2,HG2#; V36.HA >> 1511 58 1.6975 0.9903 42.9299 +7.11e+07 V36.CG2,HG2#; L39.HG >> 1459 58 2.7146 0.9868 42.9175 +4.47e+07 V28.CG1,HG1#; W30.HB2 >> 1518 58 0.7743 1.8544 42.9161 +4.48e+07 L39.CB,HB1; L39.HD1# >> 1508 58 2.4279 0.9867 42.9113 +3.07e+07 V36.CG2,HG2#; Q64.HG2 >> 1687 58 2.1524 3.1468 42.9005 +1.18e+07 R68.CD,HD1|HD2; Q67.HB1|HB2 >> 774 58 0.7994 3.1554 42.8945 +2.50e+07 R68.CD,HD1|HD2; L40.HD2# >> 1576 58 5.4013 0.8534 42.8931 +1.34e+07 V47.CG1,HG1#; V5.HA >> 1786 58 0.8468 4.5982 42.8927 +1.09e+07 P93.CA,HA; L94.HD2# >> 773 58 1.7170 3.1534 42.8885 +4.43e+07 R68.CD,HD1|HD2; R68.HG1|HG2 >> 394 58 2.0359 0.9890 42.8873 +3.35e+08 V36.CG2,HG2#; V36.HB >> 1389 58 0.7344 3.3777 42.8707 +1.59e+07 S14.CA,HA; I17.HG2# >> 1532 58 3.1489 0.7728 42.8604 +4.00e+07 L40.CD1,HD1#; R68.HD1|HD2 >> 1517 58 0.8002 1.4693 42.8590 +3.22e+07 L39.CB,HB2; L39.HD1# >> 1512 58 1.5428 0.9877 42.8579 +7.22e+07 V28.CG1,HG1#; I4.HB >> 185 58 4.4062 4.0879 42.8554 +1.26e+07 S19.CB,HB1|HB2; S19.HA >> 388 58 3.1427 0.9730 42.8531 +2.67e+07 V28.CG1,HG1#; C18.HB1 >> 1390 59 0.4130 3.3819 42.8065 +1.04e+07 S14.CA,HA; I17.HD1# >> 1458 59 3.9293 0.9853 42.7992 +7.22e+07 V28.CG1,HG1#; C18.HA >> 1850 59 0.4559 0.0085 42.7926 +1.48e+08 V105.CG1,HG1#; I92.HD1# >> 471 59 4.1037 0.7517 42.7924 +1.12e+08 L42.CD2,HD2#; L42.HA >> 1846 59 1.0216 0.0086 42.7916 +4.26e+07 V105.CG1,HG1#; A46.HB# >> 1848 59 0.7140 0.0079 42.7858 +1.82e+08 V105.CG1,HG1#; L21.HD2# >> 1847 59 0.8504 0.0085 42.7812 +6.75e+07 V105.CG1,HG1#; L48.HD2# >> 1162 59 1.5599 0.0087 42.7773 +1.19e+08 V105.CG1,HG1#; V105.HB >> 1159 59 3.2322 0.0089 42.7772 +1.09e+08 V105.CG1,HG1#; V105.HA >> 771 59 4.5024 3.1446 42.7758 +1.36e+07 R68.CD,HD1|HD2; R68.HA >> 1849 59 0.5821 0.0096 42.7620 +6.77e+07 V105.CG1,HG1#; I4.HG2# >> 1388 59 1.0550 3.3767 42.7614 +1.21e+07 S14.CA,HA; T13.HG2# >> 1165 59 1.2271 0.0096 42.7611 +2.02e+07 V105.CG1,HG1#; T106.HG2# >> 1245 59 4.4073 1.6565 42.7566 +9.28e+07 L112.CB,HB1|HB2; L112.HA >> 1246 59 0.9466 1.6545 42.7545 +1.07e+08 L112.CB,HB1|HB2; L112.HD2# >> 1461 59 0.1400 0.9759 42.7242 +2.93e+07 V28.CG1,HG1#; I4.HD1# >> 1161 59 4.2277 0.0032 42.7229 +1.58e+07 V105.CG1,HG1#; T106.HB >> 1844 59 1.8823 0.0135 42.7178 +1.59e+07 V105.CG1,HG1#; Q104.HB2 >> 1901 59 3.0476 0.7506 42.7023 +2.26e+07 L42.CD2,HD2#; R3.HD2 >> 285 59 5.0851 0.9847 42.6981 +4.76e+07 V28.CG1,HG1#; V28.HA >> 658 60 1.1852 0.2372 42.6551 +1.78e+08 V58.CG2,HG2#; V58.HB >> 524 60 5.3809 1.0290 42.6548 +7.07e+07 A46.CB,HB#; A46.HA >> 1642 60 0.6378 0.2357 42.6533 +1.65e+08 V58.CG2,HG2#; I78.HD1# >> 1231 60 1.2987 4.3740 42.6373 +2.12e+08 T110.CA,HA; T110.HG2# >> 531 60 1.3146 1.0236 42.6260 +3.67e+07 V5.CG1,HG1#; I29.HG11 >> 1160 60 3.6354 0.0036 42.6198 +2.25e+07 V105.CG1,HG1#; L102.HA >> 525 60 4.6630 1.0233 42.6197 +1.76e+07 A46.CB,HB#; I4.HA >> 652 60 3.3177 0.2364 42.6120 +1.08e+08 V58.CG2,HG2#; V58.HA >> 665 60 3.1535 0.2391 42.6014 +2.67e+07 V58.CG2,HG2#; F53.HB1 >> 1572 60 0.1390 1.0309 42.5977 +7.78e+07 A46.CB,HB#; I4.HD1# >> 533 60 1.1829 1.0336 42.5738 +1.86e+07 A46.CB,HB#; I45.HG2# >> 1639 60 2.9661 0.2339 42.5730 +1.93e+07 V58.CG2,HG2#; F53.HB2 >> 484 60 1.0164 4.5644 42.5526 +1.20e+07 P44.CA,HA; A46.HB# >> 51 60 1.8290 0.9926 42.5160 +9.22e+07 V5.CG1,HG1#; V5.HB >> 1640 61 1.6046 0.2320 42.4694 +3.61e+07 V58.CG2,HG2#; L49.HB2 >> 55 61 1.8333 0.9886 42.4652 +9.44e+07 V5.CG2,HG2#; V5.HB >> 52 61 5.4098 0.9876 42.4105 +4.21e+07 V5.CG2,HG2#; V5.HA >> 966 62 2.6858 0.7269 42.2811 +2.33e+07 V88.CG2,HG2#; Y85.HB2 >> 965 62 2.9043 0.7173 42.2321 +1.69e+07 V88.CG2,HG2#; Y85.HB1 >> 967 62 1.9079 0.7262 42.2117 +1.05e+08 V88.CG2,HG2#; V88.HB >> 964 63 3.7920 0.7262 42.1806 +6.54e+07 V88.CG2,HG2#; V88.HA >> 1765 63 1.6371 0.7261 42.1581 +1.88e+07 V88.CG2,HG2#; I76.HB >> 1365 63 1.7254 0.9734 42.1546 +7.70e+07 V5.CG2,HG2#; P44.HB2 >> 1759 63 4.6158 0.4486 42.1545 +1.98e+07 V88.CG1,HG1#; I76.HA >> 1761 63 1.5959 0.4556 42.1323 +1.90e+07 V88.CG1,HG1#; L49.HB2 >> 1758 63 5.6904 0.4560 42.1165 +1.40e+07 V88.CG1,HG1#; F77.HA >> 970 63 -0.0971 0.7189 42.1057 +2.06e+07 V88.CG2,HG2#; V58.HG1# >> 1762 63 0.9236 0.4569 42.0910 +3.39e+07 V88.CG1,HG1#; V62.HG1# >> 951 63 3.7923 0.4536 42.0842 +5.37e+07 V88.CG1,HG1#; V88.HA >> 955 63 1.9095 0.4510 42.0840 +1.15e+08 V88.CG1,HG1#; V88.HB >> 1385 63 0.8270 1.0363 42.0784 +2.12e+08 T13.CG2,HG2#; L79.HD1#|HD2# >> 956 63 1.7441 0.4524 42.0767 +3.07e+07 V88.CG1,HG1#; I78.HB >> 958 63 1.3192 0.4519 42.0422 +5.37e+07 V88.CG1,HG1#; I78.HG11 >> 946 63 0.4571 3.7946 42.0401 +2.90e+07 V88.CA,HA; V88.HG1# >> 184 64 4.0639 4.4109 42.0343 +4.01e+07 S19.CA,HA; S19.HB1|HB2 >> 131 64 3.3408 1.0416 42.0330 +1.53e+07 T13.CG2,HG2#; S14.HA >> 1384 64 3.7086 1.0395 42.0227 +2.87e+08 T13.CG2,HG2#; T13.HB >> 1386 64 0.4106 1.0398 42.0181 +1.55e+08 T13.CG2,HG2#; I17.HD1# >> 1764 64 -0.0929 0.4450 42.0170 +1.63e+07 V88.CG1,HG1#; V58.HG1# >> 1387 64 0.2204 1.0385 42.0115 +1.14e+08 T13.CG2,HG2#; I96.HD1# >> 1760 64 2.6832 0.4515 42.0025 +1.34e+07 V88.CG1,HG1#; Y85.HB2 >> 1757 64 1.6497 3.7849 42.0016 +1.08e+07 V88.CA,HA; I76.HB >> 947 64 0.7157 3.7954 41.9932 +5.78e+07 V88.CA,HA; V88.HG2# >> 487 64 1.1797 4.6701 41.9689 +7.05e+07 I45.CA,HA; I45.HG2# >> 1104 64 2.9399 4.2683 41.9570 +2.17e+07 F101.CA,HA; F101.HB2 >> 488 64 1.0341 4.6695 41.9545 +2.15e+07 I45.CA,HA; I45.HD1# >> 1825 64 1.6083 4.2706 41.9510 +1.46e+07 F101.CA,HA; L79.HG >> 1824 64 1.0530 4.2658 41.9351 +1.45e+07 F101.CA,HA; I92.HG2# >> 489 64 1.3809 4.6560 41.9344 +1.30e+07 I45.CA,HA; I45.HG11|HG12 >> 1432 64 1.5514 0.5690 41.9283 +2.05e+07 L21.CD1,HD1#; V105.HB >> 1437 64 0.1378 0.5756 41.9198 +6.29e+07 L21.CD1,HD1#; I4.HD1# >> 485 64 2.1273 4.6711 41.9156 +4.08e+07 I45.CA,HA; I45.HB >> 1433 64 1.0907 0.5733 41.9092 +5.17e+07 L21.CD1,HD1#; I20.HG2# >> 1555 64 4.5211 4.6687 41.9070 +1.11e+07 I45.CA,HA; P44.HA >> 1430 64 1.9329 0.5767 41.8983 +4.81e+07 L21.CD1,HD1#; L21.HG >> 1436 64 0.3226 0.5736 41.8983 +7.78e+07 L21.CD1,HD1#; V105.HG2# >> 217 64 4.2356 0.5756 41.8962 +6.22e+07 L21.CD1,HD1#; L21.HA >> 943 64 1.9179 3.7799 41.8937 +1.04e+07 V88.CA,HA; V88.HB >> 1435 65 0.8845 0.5763 41.8777 +1.18e+08 L21.CD1,HD1#; I4.HG11 >> 1826 65 0.4365 4.2691 41.8647 +2.88e+07 F101.CA,HA; I92.HD1# >> 251 65 4.0231 1.3090 41.8628 +1.94e+08 T23.CG2,HG2#; T23.HA >> 1438 65 0.0077 0.5768 41.8584 +5.54e+07 L21.CD1,HD1#; V105.HG1# >> 2010 65 1.5176 4.4148 41.8518 +2.18e+07 P95.CA,HA; L94.HG >> 1103 65 3.4152 4.2783 41.8350 +1.52e+07 F101.CA,HA; F101.HB1 >> 349 65 4.5175 0.7253 41.8332 +9.48e+07 V32.CG2,HG2#; V32.HA >> 793 65 3.8934 1.3498 41.8310 +4.89e+07 T70.CG2,HG2#; P71.HD1|HD2 >> 693 65 4.0567 1.7021 41.8307 +1.24e+07 L61.CB,HB1; L61.HA >> 1951 65 0.6555 4.6765 41.8120 +1.79e+07 I45.CA,HA; L74.HD1# >> 352 65 2.3627 0.7255 41.8118 +1.48e+08 V32.CG2,HG2#; V32.HB >> 1491 65 4.8878 0.7256 41.7854 +4.06e+07 V32.CG2,HG2#; E9.HA >> 794 65 2.3482 1.3525 41.7752 +2.99e+07 T70.CG2,HG2#; E72.HG2 >> 1666 66 -0.0952 0.9186 41.7210 +2.02e+07 V62.CG1,HG1#; V58.HG1# >> 1049 66 0.8431 4.4190 41.7013 +3.15e+07 P95.CA,HA; L94.HD2# >> 1665 66 0.4634 0.9209 41.6906 +4.10e+07 V62.CG1,HG1#; V88.HG1# >> 1611 66 3.8742 1.4658 41.6903 +2.86e+07 A50.CB,HB#; S8.HB1 >> 1609 66 0.4183 1.4658 41.6868 +1.94e+07 A50.CB,HB#; I96.HG2# >> 1664 66 1.7917 0.9211 41.6853 +1.94e+07 V62.CG1,HG1#; R66.HB2 >> 607 66 5.3424 1.4654 41.6796 +8.29e+07 A50.CB,HB#; A50.HA >> 713 66 3.2509 0.9179 41.6796 +5.77e+07 V62.CG1,HG1#; V62.HA >> 1662 66 4.0762 0.9225 41.6711 +2.24e+07 V62.CG1,HG1#; G87.HA1 >> 718 66 2.0727 0.9164 41.6706 +8.24e+07 V62.CG1,HG1#; V62.HB >> 1663 66 3.7863 0.9193 41.6695 +3.79e+07 V62.CG1,HG1#; V88.HA >> 616 66 0.8411 1.4675 41.6623 +1.87e+08 A50.CB,HB#; L79.HD1#|HD2# >> 608 66 4.7780 1.4639 41.6608 +4.09e+07 A50.CB,HB#; S8.HA >> 1608 66 0.2380 1.4667 41.6570 +4.07e+07 A50.CB,HB#; L6.HD1# >> 144 66 3.4918 1.2301 41.6392 +1.14e+08 T15.CG2,HG2#; T15.HA >> 1610 66 3.3844 1.4626 41.6378 +3.04e+07 A50.CB,HB#; S8.HB2 >> 1195 66 3.7676 1.2413 41.6112 +1.66e+08 T106.CG2,HG2#; T106.HA >> 548 66 1.7471 0.8175 41.5985 +1.14e+08 V47.CG2,HG2#; V47.HB >> 1582 66 0.9789 0.8196 41.5954 +7.63e+07 V47.CG2,HG2#; V5.HG2# >> 1580 66 1.5807 0.8168 41.5934 +4.69e+07 V47.CG2,HG2#; P44.HG2 >> 543 66 5.0265 0.8165 41.5816 +3.69e+07 V47.CG2,HG2#; V47.HA >> 1581 66 1.5119 0.8123 41.5681 +4.93e+07 V47.CG2,HG2#; L49.HG >> 545 67 4.5930 0.8217 41.5322 +1.40e+07 V47.CG2,HG2#; I76.HA >> 1256 67 1.2377 4.3856 41.5281 +8.92e+07 T114.CA,HA; T114.HG2# >> 145 67 4.1488 1.2353 41.5256 +2.95e+08 T15.CG2,HG2#; T15.HB >> 1196 67 4.2393 1.2412 41.5151 +4.33e+08 T106.CG2,HG2#; T106.HB >> 1873 67 4.3508 1.3010 41.4542 +9.17e+08 T110.CG2,HG2#; T110.HB >> 1332 68 0.9495 5.0900 41.3962 +3.31e+07 V28.CA,HA; V28.HG2# >> 12 69 0.7188 1.5269 41.2049 +1.92e+07 I4.CB,HB; L48.HD1# >> 481 69 4.4168 1.2136 41.1865 +4.88e+08 T43.CG2,HG2#; T43.HB >> 85 69 3.3633 0.6638 41.1806 +1.28e+07 V7.CG2,HG2#; G34.HA2 >> 480 69 3.8844 1.2149 41.1667 +1.76e+08 T43.CG2,HG2#; T43.HA >> 11 69 0.5966 1.5299 41.1199 +3.33e+07 I4.CB,HB; I4.HG2# >> 78 69 5.0733 0.6459 41.1083 +4.41e+07 V7.CG2,HG2#; V7.HA >> 93 70 0.7988 0.6447 41.0967 +2.44e+08 V7.CG2,HG2#; L39.HD1# >> 92 70 0.9763 0.6448 41.0960 +7.86e+07 V7.CG2,HG2#; V5.HG1# >> 1310 70 0.9332 1.5207 41.0916 +2.59e+07 I4.CB,HB; I4.HG11 >> 87 70 1.9167 0.6453 41.0821 +4.10e+07 V7.CG2,HG2#; V7.HB >> 88 70 1.7288 0.6441 41.0618 +4.20e+07 V7.CG2,HG2#; L31.HB2 >> 10 70 0.1380 1.5233 41.0509 +1.75e+07 I4.CB,HB; I4.HD1# >> 96 70 0.2634 0.6465 41.0402 +1.75e+07 V7.CG2,HG2#; L6.HD1# >> 1504 70 1.7163 0.8662 40.9512 +8.21e+07 V36.CG1,HG1#; R68.HG1|HG2 >> 1503 70 2.2888 0.8681 40.9502 +8.80e+07 V36.CG1,HG1#; Q64.HB1 >> 1501 71 3.1451 0.8658 40.9319 +5.90e+07 V36.CG1,HG1#; R68.HD1|HD2 >> 1318 71 -0.0081 5.0765 40.9282 +2.42e+07 V7.CA,HA; V7.HG1# >> 395 71 2.0433 0.8674 40.9253 +2.90e+08 V36.CG1,HG1#; V36.HB >> 237 71 4.2802 1.1477 40.9141 +1.11e+08 T22.CG2,HG2#; T22.HB >> 379 71 3.4883 0.8673 40.9121 +8.85e+07 V36.CG1,HG1#; V36.HA >> 1500 71 3.9496 0.8686 40.8970 +9.60e+07 V36.CG1,HG1#; E37.HA >> 238 71 4.6977 1.1464 40.8874 +8.89e+07 T22.CG2,HG2#; T22.HA >> 1499 71 4.3094 0.8669 40.8869 +1.96e+07 V36.CG1,HG1#; E35.HA >> 1502 71 2.4544 0.8703 40.8814 +3.33e+07 V36.CG1,HG1#; Q64.HG2 >> 239 71 4.0270 1.1466 40.8361 +2.51e+07 T22.CG2,HG2#; T23.HA >> 1879 71 0.7117 4.6049 40.8320 +2.63e+07 I76.CA,HA; I76.HG2# >> 478 72 1.2120 3.8758 40.7818 +7.26e+07 T43.CA,HA; T43.HG2# >> 1319 72 0.6521 5.0736 40.7784 +2.16e+07 V7.CA,HA; V7.HG2# >> 474 72 4.4212 3.8786 40.7597 +5.86e+07 T43.CA,HA; T43.HB >> 1693 72 1.9106 4.8346 40.6609 +1.17e+07 T70.CA,HA; P71.HG1 >> 1018 72 0.4576 1.8632 40.6401 +1.60e+07 I92.CB,HB; I92.HD1# >> 1025 72 1.0501 1.8678 40.6383 +2.36e+07 I92.CB,HB; I92.HG2# >> 1553 72 3.4546 3.8817 40.6316 +1.37e+07 T43.CA,HA; P44.HD2 >> 1274 73 0.7380 4.5188 40.6266 +7.16e+07 V32.CA,HA; V32.HG2# >> 338 73 2.3575 4.5216 40.5961 +4.73e+07 V32.CA,HA; V32.HB >> 788 73 1.3547 4.8338 40.5423 +5.16e+07 T70.CA,HA; T70.HG2# >> 110 74 2.4935 4.1504 40.4121 +2.15e+07 E11.CA,HA; E11.HG1 >> 111 74 2.2470 4.1519 40.4077 +4.17e+07 E11.CA,HA; E11.HB1|HB2 >> 1179 74 1.0129 0.3149 40.3944 +3.42e+07 V105.CG2,HG2#; A46.HB# >> 1799 74 0.8410 4.0639 40.3737 +2.08e+07 I96.CA,HA; L94.HD2# >> 1175 74 1.9576 0.3187 40.3341 +2.71e+07 V105.CG2,HG2#; L109.HG >> 86 75 1.9216 -0.0051 40.3024 +3.88e+07 V7.CG1,HG1#; V7.HB >> 1176 75 1.5601 0.3165 40.3023 +1.10e+08 V105.CG2,HG2#; V105.HB >> 1055 75 0.4192 4.0517 40.3022 +6.22e+07 I96.CA,HA; I96.HG2# >> 1852 75 0.5771 0.3188 40.2991 +6.93e+07 V105.CG2,HG2#; L21.HD1# >> 1898 75 1.7254 -0.0073 40.2985 +1.58e+07 V7.CG1,HG1#; L31.HB2 >> 787 75 3.8913 4.8365 40.2942 +1.49e+07 T70.CA,HA; P71.HD1|HD2 >> 1180 75 0.7262 0.3156 40.2921 +1.89e+08 V105.CG2,HG2#; L48.HD1# >> 834 75 3.7859 1.6313 40.2904 +1.65e+07 I76.CB,HB; V88.HA >> 1053 75 1.0605 4.0564 40.2903 +2.63e+07 I96.CA,HA; I96.HG11|HG12 >> 1177 75 1.2448 0.3172 40.2897 +4.66e+07 V105.CG2,HG2#; T106.HG2# >> 1173 75 3.7594 0.3210 40.2854 +2.57e+07 V105.CG2,HG2#; T106.HA >> 1333 75 0.9007 5.1343 40.2844 +3.00e+07 I29.CA,HA; I29.HD1# >> 1183 75 0.1437 0.3169 40.2823 +8.05e+07 V105.CG2,HG2#; I4.HD1# >> 1051 75 1.6614 4.0473 40.2805 +3.12e+07 I96.CA,HA; I96.HB >> 79 75 5.0702 -0.0080 40.2791 +4.60e+07 V7.CG1,HG1#; V7.HA >> 1172 75 3.6177 0.3102 40.2695 +1.92e+07 V105.CG2,HG2#; L102.HA >> 1171 75 3.2307 0.3168 40.2637 +8.01e+07 V105.CG2,HG2#; V105.HA >> 1381 75 0.7779 -0.0051 40.2559 +1.07e+08 V7.CG1,HG1#; L39.HD2# >> 1895 75 4.8817 -0.0092 40.2530 +1.28e+07 V7.CG1,HG1#; L49.HA >> 1182 75 0.8712 0.3200 40.2482 +3.91e+07 V105.CG2,HG2#; L48.HD2# >> 1897 75 3.9811 -0.0080 40.2431 +1.71e+07 V7.CG1,HG1#; G34.HA1 >> 1380 75 0.2533 -0.0106 40.2426 +6.50e+07 V7.CG1,HG1#; L6.HD1# >> 84 75 3.3826 -0.0065 40.2287 +1.68e+07 V7.CG1,HG1#; G34.HA2 >> 1378 75 4.5272 -0.0109 40.2239 +1.32e+07 V7.CG1,HG1#; V32.HA >> 1896 75 4.7378 -0.0042 40.2160 +1.66e+07 V7.CG1,HG1#; S8.HA >> 1446 76 3.7392 1.6948 40.1023 +1.56e+07 A24.CB,HB#; I20.HA >> 1636 76 2.0673 -0.0922 40.0833 +2.77e+07 V58.CG1,HG1#; V62.HB >> 1633 76 3.7861 -0.0918 40.0693 +3.16e+07 V58.CG1,HG1#; Q59.HA >> 659 76 1.1907 -0.0915 40.0540 +1.86e+08 V58.CG1,HG1#; V58.HB >> 1637 76 1.5971 -0.0805 40.0332 +3.07e+07 V58.CG1,HG1#; L49.HB2 >> 1444 76 4.2468 1.6946 40.0227 +4.54e+07 A24.CB,HB#; L21.HA >> 653 76 3.3203 -0.0905 40.0067 +8.00e+07 V58.CG1,HG1#; V58.HA >> 1638 77 0.6594 -0.0897 39.9937 +2.57e+08 V58.CG1,HG1#; I78.HD1# >> 1450 77 0.7174 1.6926 39.9911 +2.62e+07 A24.CB,HB#; L21.HD2# >> 257 77 4.4080 1.6959 39.9904 +2.10e+08 A24.CB,HB#; A24.HA >> 1449 77 0.8905 1.6943 39.9802 +1.90e+08 A24.CB,HB#; L102.HD2# >> 1451 77 0.5738 1.6937 39.9706 +5.11e+07 A24.CB,HB#; L21.HD1# >> 1448 77 1.0929 1.7001 39.9669 +3.18e+07 A24.CB,HB#; I20.HG2# >> 1892 77 4.9027 0.7551 39.9546 +1.56e+07 V32.CG1,HG1#; E9.HA >> 269 77 0.9648 1.6949 39.9250 +1.81e+08 A24.CB,HB#; L102.HD1# >> 663 77 2.9117 -0.0822 39.9192 +1.62e+07 V58.CG1,HG1#; Y85.HB1 >> 344 77 4.5216 0.7678 39.8919 +4.29e+07 V32.CG1,HG1#; V32.HA >> 346 77 2.3561 0.7708 39.8626 +1.35e+08 V32.CG1,HG1#; V32.HB >> 1935 77 4.7767 0.7649 39.8600 +1.65e+07 V32.CG1,HG1#; L31.HA >> 1312 78 0.9862 5.4063 39.8264 +2.50e+07 V5.CA,HA; V5.HG2# >> 1052 78 2.0652 4.1598 39.7687 +1.50e+08 E99.CA,HA; E99.HB1 >> 1940 78 1.7106 3.9417 39.7666 +1.64e+07 E37.CA,HA; L40.HG >> 319 78 1.5402 0.8849 39.7665 +3.57e+07 I29.CG2,HG2#; I29.HG12 >> 1513 78 0.8206 3.9358 39.7612 +4.50e+07 E37.CA,HA; L40.HD2# >> 1876 78 1.7288 0.8857 39.7590 +2.02e+07 I29.CG2,HG2#; L31.HG >> 1094 78 2.3393 4.1602 39.7580 +1.15e+08 E99.CA,HA; E99.HG1|HG2 >> 403 78 1.9962 3.9357 39.7547 +6.77e+07 E37.CA,HA; E37.HB1 >> 1100 78 4.1092 4.5869 39.7533 +7.33e+07 S100.CA,HA; S100.HB1 >> 316 78 5.1250 0.8864 39.7494 +3.49e+07 I29.CG2,HG2#; I29.HA >> 320 78 1.3208 0.8865 39.7472 +3.64e+07 I29.CG2,HG2#; I29.HG11 >> 1364 78 0.8596 5.4131 39.7467 +1.11e+07 V5.CA,HA; L31.HD2# >> 321 78 1.9036 0.8822 39.7337 +3.95e+07 I29.CG2,HG2#; I29.HB >> 1822 78 2.1887 4.5912 39.7287 +3.70e+07 S100.CA,HA; Q103.HB1|HB2 >> 1099 78 3.9330 4.5918 39.7186 +7.77e+07 S100.CA,HA; S100.HB2 >> 1931 78 4.7864 0.8810 39.7162 +1.21e+07 I29.CG2,HG2#; L31.HA >> 1145 78 2.2567 3.9374 39.7137 +5.08e+07 E37.CA,HA; E37.HG1 >> 416 79 1.8276 3.7343 39.6746 +2.61e+07 L39.CA,HA; L39.HB1 >> 417 79 1.6971 3.7347 39.6702 +2.70e+07 L39.CA,HA; L39.HG >> 1821 79 2.3959 4.6008 39.6534 +2.00e+07 S100.CA,HA; Q103.HG1 >> 420 79 0.7816 3.7317 39.6493 +4.82e+07 L39.CA,HA; L39.HD1# >> 419 79 0.9496 3.7282 39.6182 +2.33e+07 L39.CA,HA; V5.HG2# >> 6 79 0.8485 4.6785 39.6102 +1.08e+07 I4.CA,HA; V47.HG1# >> 1926 79 1.5478 1.8896 39.5797 +1.04e+07 I29.CB,HB; I29.HG12 >> 1335 79 0.8306 5.0230 39.5506 +2.31e+07 V47.CA,HA; V47.HG2# >> 1282 80 1.4468 3.7349 39.5036 +3.08e+07 L39.CA,HA; L39.HB2 >> 1111 80 3.9136 3.3940 39.4553 +1.46e+07 F101.CB,HB1; S100.HB2 >> 1308 81 0.5856 4.6703 39.3669 +1.98e+07 I4.CA,HA; I4.HG2# >> 5 81 0.9772 4.6807 39.3669 +1.13e+07 I4.CA,HA; V5.HG2# >> 1309 81 0.1191 4.6769 39.3542 +1.09e+07 I4.CA,HA; I4.HD1# >> 682 81 2.0832 4.1021 39.3541 +7.92e+07 E60.CA,HA; E60.HB1|HB2 >> 1673 81 0.8581 3.9573 39.3477 +3.00e+07 Q64.CA,HA; V36.HG1# >> 1254 81 4.4159 1.4344 39.3465 +4.89e+08 A113.CB,HB#; A113.HA >> 683 81 2.3781 4.1038 39.3410 +4.80e+07 E60.CA,HA; E60.HG1 >> 1645 81 2.9048 4.1015 39.3186 +2.64e+07 E60.CA,HA; D63.HB1 >> 737 81 2.0649 3.9556 39.3101 +4.65e+07 Q64.CA,HA; Q64.HB2 >> 681 81 2.2657 4.0988 39.2791 +4.28e+07 E60.CA,HA; E60.HG2 >> 1839 81 2.0728 3.8878 39.2765 +3.70e+07 Q104.CA,HA; Q104.HB1 >> 1834 81 4.2280 3.9884 39.2290 +3.86e+07 Q103.CA,HA; T106.HB >> 736 82 2.7107 3.9676 39.2038 +2.92e+07 Q64.CA,HA; Q64.HG1 >> 1837 82 2.5973 3.8773 39.2036 +2.77e+07 Q104.CA,HA; Q104.HG1 >> 1833 82 1.2490 3.9832 39.2025 +2.30e+07 Q103.CA,HA; T106.HG2# >> 1132 82 2.1875 3.9875 39.2002 +1.13e+08 Q103.CA,HA; Q103.HB1|HB2 >> 411 82 1.6620 3.8763 39.1996 +1.65e+07 R38.CA,HA; R38.HB2 >> 1646 82 2.5809 4.1041 39.1653 +1.64e+07 E60.CA,HA; D63.HB2 >> 1941 82 1.4859 3.8734 39.1627 +4.32e+07 R38.CA,HA; A41.HB# >> 1838 82 2.4311 3.8914 39.1502 +3.92e+07 Q104.CA,HA; Q104.HG2 >> 1840 82 1.8647 3.8763 39.1357 +2.97e+07 Q104.CA,HA; Q104.HB2 >> 1721 83 0.6931 1.7537 39.0395 +2.29e+07 I20.CB,HB; I20.HD1# >> 1720 83 0.4762 1.7567 38.9125 +1.98e+07 I78.CB,HB; V88.HG1# >> 627 84 3.6992 4.3494 38.8899 +7.35e+07 S54.CA,HA; S54.HB2 >> 628 84 4.0361 4.3516 38.8633 +7.72e+07 S54.CA,HA; S54.HB1 >> 902 84 3.9181 4.4154 38.8018 +2.04e+08 S81.CA,HA; S81.HB1|HB2 >> 1749 84 3.5801 4.4171 38.7767 +1.36e+07 S81.CA,HA; K82.HA >> 1718 85 1.2038 1.7548 38.7211 +3.02e+07 I78.CB,HB; I78.HG2# >> 802 85 2.2478 4.0479 38.6684 +8.28e+07 E72.CA,HA; E72.HG1 >> 1556 85 0.7560 2.1435 38.6525 +1.81e+07 I45.CB,HB; L109.HD2# >> 803 85 1.9820 4.0473 38.6523 +8.00e+07 E72.CA,HA; E72.HB1 >> 492 85 4.6735 2.1397 38.6240 +3.60e+07 I45.CB,HB; I45.HA >> 691 85 1.6947 4.0455 38.6167 +2.74e+07 L61.CA,HA; L61.HB1 >> 927 85 4.8127 2.6661 38.6117 +2.24e+07 N84.CB,HB1; N84.HA >> 493 86 1.3844 2.1442 38.5783 +1.33e+07 I45.CB,HB; I45.HG11|HG12 >> 495 86 1.0258 2.1327 38.5690 +4.56e+07 I45.CB,HB; I45.HD1# >> 494 86 1.1791 2.1367 38.5595 +1.07e+08 I45.CB,HB; I45.HG2# >> 500 86 3.9905 1.1778 38.5429 +3.85e+07 I45.CG2,HG2#; G2.HA2 >> 1201 86 1.2889 4.2123 38.5419 +2.62e+07 M107.CA,HA; T110.HG2# >> 1647 86 0.9903 4.0499 38.5369 +1.90e+07 L61.CA,HA; V36.HG2# >> 928 86 4.8133 2.4679 38.5247 +3.45e+07 N84.CB,HB2; N84.HA >> 504 86 2.1300 1.1780 38.5198 +1.96e+08 I45.CG2,HG2#; I45.HB >> 1198 86 2.7288 4.2062 38.5184 +3.10e+07 M107.CA,HA; M107.HG1 >> 497 86 4.6666 1.1797 38.5157 +1.89e+08 I45.CG2,HG2#; I45.HA >> 1200 86 2.0432 4.2025 38.5114 +5.18e+07 M107.CA,HA; M107.HB2 >> 510 86 1.0323 1.1794 38.5075 +3.50e+08 I45.CG2,HG2#; I45.HD1# >> 1874 86 3.9397 4.4920 38.4991 +5.69e+08 S111.CA,HA; S111.HB2 >> 1346 86 1.1927 5.0574 38.4943 +1.70e+07 I78.CA,HA; I78.HG2# >> 1567 86 0.7584 1.1777 38.4915 +7.02e+07 I45.CG2,HG2#; L109.HD2# >> 519 86 0.1342 1.1819 38.4681 +2.41e+07 I45.CG2,HG2#; I4.HD1# >> 1338 87 0.8366 4.0422 38.4305 +6.74e+07 L61.CA,HA; L61.HD2# >> 1199 87 2.5775 4.2088 38.4215 +4.68e+07 M107.CA,HA; M107.HG2 >> 854 87 0.4791 5.0430 38.3973 +1.20e+07 I78.CA,HA; V88.HG1# >> 689 87 2.7220 4.0602 38.3685 +1.35e+07 L61.CA,HA; Q64.HG1 >> 1345 87 0.6577 5.0446 38.3669 +1.97e+07 I78.CA,HA; I78.HD1# >> 126 87 1.0490 1.4913 38.3001 +3.54e+07 A12.CB,HB#; T13.HG2# >> 1341 87 0.7670 3.9726 38.2950 +7.00e+07 L65.CA,HA; L65.HD1# >> 1325 88 0.8589 4.1015 38.2021 +7.95e+07 L16.CA,HA; L16.HD1# >> 123 88 4.1110 1.4949 38.1600 +4.74e+08 A12.CB,HB#; A12.HA >> 1546 89 0.9067 1.4969 38.1275 +4.84e+07 A41.CB,HB#; L42.HD1# >> 1643 89 2.0741 3.8198 38.1163 +1.80e+07 Q59.CA,HA; V62.HB >> 1906 89 2.2516 1.4986 38.0888 +3.02e+07 A12.CB,HB#; E11.HB1|HB2 >> 677 89 0.7170 3.8111 38.0556 +1.84e+07 Q59.CA,HA; V62.HG2# >> 1644 89 0.9033 3.8133 38.0366 +1.32e+07 Q59.CA,HA; V62.HG1# >> 988 89 1.3698 4.6274 38.0349 +1.19e+07 I92.CA,HA; I92.HG11 >> 1422 89 1.5026 1.0913 38.0348 +5.54e+07 I20.CG2,HG2#; L102.HB2 >> 1456 89 1.9910 4.6546 38.0319 +1.24e+07 Y26.CA,HA; Q27.HB1 >> 206 89 2.1932 1.0944 38.0242 +1.59e+07 I20.CG2,HG2#; P98.HB1 >> 211 89 0.4289 1.0922 38.0082 +9.24e+07 I20.CG2,HG2#; I17.HD1# >> 1420 89 4.2563 1.0929 38.0082 +2.05e+07 I20.CG2,HG2#; L21.HA >> 1425 89 0.8751 1.0916 38.0038 +1.27e+08 I20.CG2,HG2#; L102.HD2# >> 212 89 0.2269 1.0935 37.9953 +3.40e+07 I20.CG2,HG2#; I96.HD1# >> 202 89 3.7144 1.0921 37.9891 +8.06e+07 I20.CG2,HG2#; I20.HA >> 205 89 1.7512 1.0922 37.9880 +1.02e+08 I20.CG2,HG2#; I20.HB >> 210 89 0.7004 1.0925 37.9845 +1.86e+08 I20.CG2,HG2#; I20.HD1# >> 1542 90 3.7163 1.4959 37.9668 +2.89e+07 A12.CB,HB#; T13.HA >> 1923 90 0.1601 4.6409 37.9492 +1.23e+07 Y26.CA,HA; I4.HD1# >> 989 90 1.0360 4.6200 37.9463 +2.09e+07 I92.CA,HA; I92.HG2# >> 1112 90 1.8391 3.6207 37.9306 +1.90e+07 L102.CA,HA; L102.HB1 >> 1541 90 3.8823 1.4830 37.9210 +7.26e+07 A41.CB,HB#; R38.HA >> 1945 90 0.7714 1.4889 37.9197 +6.24e+07 A41.CB,HB#; L42.HD2# >> 1829 90 0.0086 3.6458 37.8956 +1.47e+07 L102.CA,HA; V105.HG1# >> 1943 90 1.8770 1.4748 37.8956 +2.65e+07 A41.CB,HB#; R38.HB1 >> 1114 90 0.8728 3.6342 37.8821 +4.94e+07 L102.CA,HA; L102.HD2# >> 757 90 2.4556 4.1541 37.8741 +5.55e+07 Q67.CA,HA; Q67.HG1 >> 1421 90 3.9497 1.0902 37.8646 +1.83e+07 I20.CG2,HG2#; P98.HA >> 1830 90 0.4584 3.6400 37.8546 +1.21e+07 L102.CA,HA; I92.HD1# >> 2024 90 1.5633 3.6403 37.8161 +2.41e+07 L102.CA,HA; V105.HB >> 756 91 2.1568 4.1454 37.8091 +9.86e+07 Q67.CA,HA; Q67.HB1|HB2 >> 272 91 2.9134 4.6310 37.7935 +1.69e+07 Y26.CA,HA; Y26.HB1 >> 758 91 2.5905 4.1459 37.7626 +4.11e+07 Q67.CA,HA; Q67.HG2 >> 169 91 3.3660 0.7287 37.7240 +1.59e+07 I17.CG2,HG2#; S14.HA >> 1057 91 4.0509 1.6692 37.7142 +2.73e+07 I96.CB,HB; I96.HA >> 1059 91 1.0577 1.6631 37.7119 +5.58e+07 I96.CB,HB; I96.HG11|HG12 >> 166 91 3.1090 0.7293 37.7045 +3.62e+07 I17.CG2,HG2#; I17.HA >> 1427 91 1.7040 4.2474 37.7025 +1.84e+07 L21.CA,HA; A24.HB# >> 175 91 1.0447 0.7253 37.6990 +4.00e+07 I17.CG2,HG2#; T13.HG2# >> 1671 91 2.1414 4.2698 37.6962 +1.48e+07 D63.CA,HA; R66.HB1 >> 178 91 0.2329 0.7284 37.6878 +1.06e+08 I17.CG2,HG2#; L6.HD1# >> 732 91 2.9185 4.2691 37.6856 +1.66e+07 D63.CA,HA; D63.HB1 >> 173 91 1.5997 0.7269 37.6744 +5.76e+07 I17.CG2,HG2#; I17.HB >> 1713 91 0.4113 0.7285 37.6690 +1.40e+08 I17.CG2,HG2#; I17.HD1# >> 1404 92 1.9369 0.7252 37.6582 +1.83e+07 I17.CG2,HG2#; L21.HB1 >> 1426 92 0.7139 4.2393 37.6480 +1.32e+07 L21.CA,HA; L21.HD2# >> 1672 92 0.9113 4.2677 37.6419 +1.79e+07 D63.CA,HA; V62.HG1# >> 1062 92 0.2197 1.6560 37.6308 +3.76e+07 I96.CB,HB; I96.HD1# >> 1061 92 0.4159 1.6621 37.6281 +1.13e+08 I96.CB,HB; I96.HG2# >> 733 92 2.5838 4.2760 37.6236 +2.73e+07 D63.CA,HA; D63.HB2 >> 1813 92 3.4129 0.4189 37.6098 +2.33e+07 I96.CG2,HG2#; F101.HB1 >> 1330 92 0.5742 4.2308 37.6084 +2.43e+07 L21.CA,HA; L21.HD1# >> 635 92 0.2438 3.2231 37.5876 +8.94e+06 Y55.CB,HB1; V58.HG2# >> 845 92 0.4441 0.6821 37.5812 +8.86e+07 I76.CG2,HG2#; V88.HG1# >> 1079 92 1.6635 0.4157 37.5740 +1.49e+08 I96.CG2,HG2#; I96.HB >> 1714 92 0.2293 0.6757 37.5665 +3.09e+07 I76.CG2,HG2#; V58.HG2# >> 1075 92 4.0512 0.4176 37.5663 +8.18e+07 I96.CG2,HG2#; I96.HA >> 1081 92 1.0586 0.4158 37.5634 +1.82e+08 I96.CG2,HG2#; I96.HG11|HG12 >> 1807 92 0.8289 0.4139 37.5597 +1.69e+08 I96.CG2,HG2#; L94.HD2# >> 1710 92 3.7956 0.6765 37.5564 +3.88e+07 I76.CG2,HG2#; V88.HA >> 1086 92 0.2156 0.4164 37.5534 +2.00e+08 I96.CG2,HG2#; I96.HD1# >> 841 92 4.6196 0.6723 37.5506 +3.13e+07 I76.CG2,HG2#; I76.HA >> 1752 92 0.7341 4.6296 37.5322 +1.72e+07 Y85.CA,HA; V88.HG2# >> 1812 92 4.2855 0.4110 37.5302 +2.01e+07 I96.CG2,HG2#; L94.HA >> 1711 92 1.6316 0.6827 37.5270 +6.33e+07 I76.CG2,HG2#; I76.HB >> 1712 93 1.2760 0.6886 37.4835 +1.96e+07 I76.CG2,HG2#; I78.HG12 >> 1260 93 3.3550 4.7835 37.4185 +1.31e+07 S8.CA,HA; S8.HB2 >> 101 93 0.2514 4.7759 37.3744 +2.80e+07 S8.CA,HA; L6.HD1# >> 782 94 2.7750 5.0094 37.2436 +2.68e+07 C69.CA,HA; C69.HB1 >> 1259 94 3.8776 4.7691 37.2349 +1.10e+07 S8.CA,HA; S8.HB1 >> 781 94 2.5184 5.0156 37.2311 +1.99e+07 C69.CA,HA; C69.HB2 >> 100 94 1.4608 4.7771 37.2212 +2.34e+07 S8.CA,HA; A50.HB# >> 1359 94 1.8228 0.5909 37.2203 +1.83e+07 I4.CG2,HG2#; V5.HB >> 1691 94 0.6548 5.0088 37.2187 +1.27e+07 C69.CA,HA; L74.HD2# >> 1690 94 1.3514 5.0144 37.2018 +2.22e+07 C69.CA,HA; T70.HG2# >> 904 95 2.9365 3.5966 37.1732 +1.01e+07 K82.CA,HA; K82.HE1|HE2 >> 806 95 4.0386 2.2491 37.1364 +2.50e+07 E72.CG,HG1; E72.HA >> 1981 95 2.3776 5.0176 37.1268 +1.12e+07 C69.CA,HA; Q73.HG1|HG2 >> 1689 95 2.0412 5.0049 37.1262 +1.40e+07 C69.CA,HA; Q73.HB2 >> 905 95 1.1706 3.5826 37.1232 +7.83e+07 K82.CA,HA; K82.HG1|HG2 >> 907 95 1.5671 3.5841 37.1219 +1.02e+08 K82.CA,HA; K82.HB2 >> 368 95 4.3050 2.2715 37.1165 +1.32e+07 E35.CG,HG1; E35.HA >> 906 95 1.6587 3.5842 37.1059 +6.87e+07 K82.CA,HA; K82.HB1 >> 1361 95 0.7194 0.5860 37.1057 +2.62e+08 I4.CG2,HG2#; I17.HG2# >> 34 95 4.6663 0.5879 37.0970 +4.71e+07 I4.CG2,HG2#; I4.HA >> 38 95 1.5431 0.5857 37.0851 +8.49e+07 I4.CG2,HG2#; I4.HB >> 39 95 1.3063 0.5853 37.0793 +4.38e+07 I4.CG2,HG2#; I4.HG12 >> 43 95 0.1340 0.5862 37.0761 +1.78e+08 I4.CG2,HG2#; I4.HD1# >> 1360 95 0.9995 0.5867 37.0709 +1.15e+08 I4.CG2,HG2#; A46.HB# >> 982 95 2.9073 5.3284 37.0527 +1.40e+07 Y91.CA,HA; Y91.HB2 >> 1362 95 0.3054 0.5835 37.0380 +2.20e+07 I4.CG2,HG2#; V105.HG2# >> 1770 96 1.1810 5.3223 37.0132 +1.22e+07 Y91.CA,HA; I78.HG2# >> 1733 96 1.5808 1.1974 37.0053 +2.86e+07 I78.CG2,HG2#; L49.HB2 >> 855 96 5.0479 1.1932 37.0042 +3.48e+07 I78.CG2,HG2#; I78.HA >> 1734 96 0.8357 1.2001 37.0009 +2.01e+07 I78.CG2,HG2#; L79.HD1#|HD2# >> 438 96 0.7755 3.9341 36.9994 +1.04e+08 L40.CA,HA; L40.HD1# >> 866 96 0.6432 1.1952 36.9972 +1.89e+08 I78.CG2,HG2#; I78.HD1# >> 436 96 1.4356 3.9209 36.9914 +1.71e+07 L40.CA,HA; L40.HB2 >> 1736 96 0.2047 1.1953 36.9907 +9.16e+07 I78.CG2,HG2#; V58.HG2# >> 879 96 1.3412 1.1974 36.9834 +4.11e+07 I78.CG2,HG2#; I78.HG11 >> 878 96 1.7477 1.1943 36.9788 +6.82e+07 I78.CG2,HG2#; I78.HB >> 1735 96 0.4879 1.1959 36.9700 +1.27e+08 I78.CG2,HG2#; V88.HG1# >> 1729 96 5.3250 1.1937 36.9552 +2.09e+07 I78.CG2,HG2#; Y91.HA >> 1771 96 0.4656 5.3246 36.9465 +2.41e+07 Y91.CA,HA; I92.HD1# >> 1730 96 4.4766 1.1890 36.9363 +1.28e+07 I78.CG2,HG2#; G80.HA1 >> 1737 96 -0.0997 1.1883 36.9009 +1.87e+07 I78.CG2,HG2#; V58.HG1# >> 1097 96 2.0642 2.3419 36.8932 +2.75e+08 E99.CG,HG1|HG2; E99.HB1 >> 437 97 1.7460 3.9236 36.8418 +2.04e+07 L40.CA,HA; L40.HB1 >> 1783 97 2.4436 1.0551 36.8276 +1.34e+07 I92.CG2,HG2#; Q104.HG2 >> 1011 97 1.6062 1.0597 36.7980 +3.20e+07 I92.CG2,HG2#; L79.HB1|HB2 >> 997 97 3.8156 1.0572 36.7895 +4.02e+07 I92.CG2,HG2#; P93.HD1|HD2 >> 992 97 4.6191 1.0562 36.7824 +5.13e+07 I92.CG2,HG2#; I92.HA >> 1021 97 0.2246 1.0532 36.7810 +5.16e+07 I92.CG2,HG2#; I96.HD1# >> 995 97 4.2550 1.0558 36.7769 +1.37e+07 I92.CG2,HG2#; F101.HA >> 1013 97 0.8408 1.0550 36.7704 +1.12e+08 I92.CG2,HG2#; L79.HD1#|HD2# >> 1012 97 1.3684 1.0621 36.7564 +3.65e+07 I92.CG2,HG2#; I92.HG11 >> 1785 97 0.0055 1.0526 36.7430 +1.90e+07 I92.CG2,HG2#; V105.HG1# >> 1006 97 1.8763 1.0539 36.7326 +7.29e+07 I92.CG2,HG2#; I92.HB >> 809 98 2.3630 4.2552 36.6822 +6.24e+07 Q73.CA,HA; E72.HG2 >> 1016 98 0.7071 1.0525 36.6531 +3.43e+07 I92.CG2,HG2#; L48.HD1# >> 1681 99 3.9669 4.4807 36.5000 +1.07e+07 R68.CA,HA; L65.HA >> 1753 99 1.7140 4.4763 36.4875 +7.40e+07 R68.CA,HA; R68.HG1|HG2 >> 1682 99 0.7776 4.4719 36.4345 +2.08e+07 R68.CA,HA; L40.HD2# >> 767 99 3.1438 4.4750 36.4290 +6.56e+07 R68.CA,HA; R68.HD1|HD2 >> 769 99 1.7140 4.4763 36.4158 +7.40e+07 R68.CA,HA; R68.HG1|HG2 >> 408 100 0.8788 2.2296 36.3671 +1.46e+07 E37.CG,HG1; V36.HG1# >> 751 100 3.3931 4.5588 36.3553 +1.80e+07 R66.CA,HA; R66.HD1 >> 365 100 2.2575 4.2966 36.3302 +3.54e+07 E35.CA,HA; E35.HG1 >> 406 100 3.9255 2.2382 36.3222 +1.87e+07 E37.CG,HG1; E37.HA >> 105 100 0.7297 4.8885 36.3203 +3.50e+07 E9.CA,HA; V32.HG2# >> 1495 100 0.7901 4.3043 36.3154 +2.36e+07 E35.CA,HA; L61.HD1# >> 407 100 0.8615 2.3074 36.2955 +1.90e+07 E37.CG,HG2; V36.HG1# >> 366 100 1.8748 4.2993 36.2934 +4.51e+07 E35.CA,HA; E35.HB2 >> 115 100 4.1468 2.4843 36.2878 +1.15e+07 E11.CG,HG1; E11.HA >> 104 100 2.3802 4.8939 36.2674 +7.85e+07 E9.CA,HA; E9.HB1 >> 103 101 2.1051 4.9064 36.1996 +3.08e+07 E9.CA,HA; E9.HB2 >> 102 101 4.5199 4.9053 36.1941 +1.04e+07 E9.CA,HA; V32.HA >> 752 101 3.2686 4.5790 36.1716 +1.15e+07 R66.CA,HA; R66.HD2 >> 1616 101 2.3162 3.7535 36.1678 +1.18e+08 E51.CA,HA; E51.HG1|HG2 >> 1615 101 1.9925 3.7530 36.1675 +1.56e+08 E51.CA,HA; E51.HB1|HB2 >> 1214 101 0.7690 4.3772 36.1662 +7.12e+07 L109.CA,HA; L109.HD2# >> 1614 101 3.7555 2.3204 36.1332 +4.10e+07 E51.CG,HG1|HG2; E51.HA >> 1351 101 1.9662 4.3733 36.1308 +2.84e+07 L109.CA,HA; L109.HB1 >> 1980 102 2.4010 4.4910 36.0187 +9.48e+07 Q86.CA,HA; Q86.HG1|HG2 >> 939 102 2.0842 4.4884 36.0164 +9.14e+07 Q86.CA,HA; Q86.HB2 >> 938 103 2.4007 4.4913 35.8897 +1.04e+08 Q86.CA,HA; Q86.HG1|HG2 >> 120 104 1.4981 4.1043 35.7131 +1.67e+08 A12.CA,HA; A12.HB# >> 1621 105 2.4187 4.7718 35.6227 +1.01e+07 Y55.CA,HA; E9.HG1|HG2 >> 632 105 3.1985 4.7681 35.6159 +2.98e+07 Y55.CA,HA; Y55.HB1 >> 1 105 0.8886 5.3341 35.6144 +9.67e+06 R3.CA,HA; I4.HG11 >> 631 105 2.9193 4.7649 35.5265 +2.67e+07 Y55.CA,HA; Y55.HB2 >> 1617 106 0.2434 4.6465 35.4340 +1.99e+07 F53.CA,HA; V58.HG2# >> 1295 106 2.3533 4.4180 35.3937 +1.27e+07 L112.CA,HA; E72.HG2 >> 623 106 3.1777 4.6338 35.3588 +1.21e+07 F53.CA,HA; F53.HB1 >> 1575 106 0.6737 1.7587 35.3404 +3.29e+07 V47.CB,HB; I76.HG2# >> 1703 106 3.7933 0.7671 35.3385 +1.88e+07 I76.CD1,HD1#; V88.HA >> 1292 106 4.0340 4.4087 35.3353 +2.33e+07 L112.CA,HA; E72.HA >> 972 106 3.0415 4.5479 35.3260 +2.47e+07 R90.CA,HA; R90.HD1 >> 835 107 4.5939 0.7700 35.2969 +1.47e+07 I76.CD1,HD1#; I76.HA >> 1766 107 1.4287 4.5454 35.2889 +9.49e+07 R90.CA,HA; R90.HB2 >> 1705 107 2.1040 0.7723 35.2885 +1.96e+07 I76.CD1,HD1#; L65.HB1 >> 1767 107 0.4713 4.5324 35.2813 +1.63e+07 R90.CA,HA; V88.HG1# >> 1276 107 0.8294 1.7470 35.2798 +6.46e+07 V47.CB,HB; V47.HG2# >> 1706 107 1.6304 0.7629 35.2588 +4.32e+07 I76.CD1,HD1#; I76.HB >> 622 107 2.9557 4.6299 35.2550 +1.38e+07 F53.CA,HA; F53.HB2 >> 1707 107 1.5230 0.7641 35.2503 +4.12e+07 I76.CD1,HD1#; I76.HG11 >> 1242 107 1.4295 4.4106 35.2411 +3.19e+07 L112.CA,HA; A113.HB# >> 1709 107 0.4530 0.7639 35.2360 +2.32e+07 I76.CD1,HD1#; V88.HG1# >> 971 107 2.8551 4.5507 35.2232 +2.08e+07 R90.CA,HA; Y91.HB1 >> 1708 107 0.9025 0.7648 35.1819 +8.77e+07 I76.CD1,HD1#; V62.HG1# >> 1768 107 2.8675 1.4267 35.1740 +1.22e+07 R90.CB,HB2; R90.HD2 >> 1243 108 0.8923 4.4090 35.1506 +3.17e+08 L112.CA,HA; L112.HD1# >> 1352 108 1.6543 4.4090 35.1435 +4.05e+08 L112.CA,HA; L112.HB1|HB2 >> 1704 108 3.2466 0.7612 35.1084 +2.42e+07 I76.CD1,HD1#; V62.HA >> 1296 108 2.9911 4.4063 35.0308 +2.15e+07 L112.CA,HA; K75.HE2 >> 1477 109 3.2534 0.8967 34.9189 +1.89e+07 I29.CD1,HD1#; R3.HD1 >> 303 109 5.1119 0.8977 34.9124 +3.91e+07 I29.CD1,HD1#; I29.HA >> 1476 109 3.0420 0.8962 34.9121 +2.97e+07 I29.CD1,HD1#; R3.HD2 >> 1560 109 1.9900 1.0380 34.9013 +2.53e+07 I45.CD1,HD1#; L109.HG >> 507 109 1.6671 1.0435 34.8919 +3.49e+07 I45.CD1,HD1#; L109.HB2 >> 1413 109 2.0595 0.6979 34.8903 +2.13e+07 I20.CD1,HD1#; P98.HB2 >> 1563 109 0.1380 1.0356 34.8902 +8.11e+07 I45.CD1,HD1#; I4.HD1# >> 505 109 2.1329 1.0352 34.8877 +1.01e+08 I45.CD1,HD1#; I45.HB >> 1411 109 3.0934 0.6912 34.8871 +2.49e+07 I20.CD1,HD1#; I17.HA >> 1558 109 4.4121 1.0393 34.8844 +1.98e+07 I45.CD1,HD1#; L109.HA >> 513 109 0.7519 1.0346 34.8802 +2.19e+08 I45.CD1,HD1#; L109.HD2# >> 511 109 1.1823 1.0363 34.8752 +2.83e+08 I45.CD1,HD1#; I45.HG2# >> 512 109 1.3676 1.0356 34.8744 +1.97e+08 I45.CD1,HD1#; I45.HG11|HG12 >> 1479 109 0.7469 0.8986 34.8697 +1.37e+08 I29.CD1,HD1#; L42.HD2# >> 1557 109 4.5634 1.0358 34.8675 +7.56e+07 I45.CD1,HD1#; G2.HA1 >> 1415 109 1.3397 0.6946 34.8617 +4.10e+07 I20.CD1,HD1#; L16.HG >> 1416 109 1.0903 0.6961 34.8592 +1.96e+08 I20.CD1,HD1#; I20.HG2# >> 1412 109 2.2066 0.6904 34.8587 +3.17e+07 I20.CD1,HD1#; P98.HB1 >> 1414 109 1.7750 0.6950 34.8575 +8.06e+07 I20.CD1,HD1#; I20.HB >> 1559 109 3.9858 1.0350 34.8575 +5.93e+07 I45.CD1,HD1#; G2.HA2 >> 1478 109 1.9283 0.8981 34.8550 +5.58e+07 I29.CD1,HD1#; I29.HB >> 309 109 1.5477 0.8989 34.8476 +7.65e+07 I29.CD1,HD1#; I29.HG12 >> 1417 109 0.8729 0.7002 34.8470 +1.19e+08 I20.CD1,HD1#; L16.HD1# >> 1418 110 0.2177 0.6980 34.8420 +5.07e+07 I20.CD1,HD1#; I96.HD1# >> 310 110 1.3345 0.8931 34.8385 +7.38e+07 I29.CD1,HD1#; I29.HG11 >> 1419 110 0.4193 0.6980 34.8353 +1.12e+08 I20.CD1,HD1#; I17.HD1# >> 1409 110 3.9593 0.6964 34.8246 +4.62e+07 I20.CD1,HD1#; P98.HA >> 1398 110 3.3752 0.4097 34.8229 +2.04e+07 I17.CD1,HD1#; S14.HA >> 812 110 2.1197 4.4671 34.8210 +1.07e+07 L74.CA,HA; I45.HB >> 190 110 3.7222 0.6977 34.8165 +2.83e+07 I20.CD1,HD1#; I20.HA >> 1911 110 3.3904 0.6927 34.8030 +1.75e+07 I20.CD1,HD1#; F101.HB1 >> 1401 110 1.0411 0.4061 34.7879 +1.42e+08 I17.CD1,HD1#; T13.HG2# >> 172 110 1.3948 0.4041 34.7849 +4.75e+07 I17.CD1,HD1#; I17.HG11 >> 171 110 1.5958 0.4054 34.7835 +6.23e+07 I17.CD1,HD1#; I17.HB >> 1403 110 0.2238 0.4076 34.7823 +1.54e+08 I17.CD1,HD1#; I96.HD1# >> 1400 110 0.7259 0.4066 34.7778 +2.53e+08 I17.CD1,HD1#; I17.HG2# >> 1402 110 0.8402 0.4056 34.7776 +1.96e+08 I17.CD1,HD1#; L79.HD1#|HD2# >> 167 110 3.1052 0.4084 34.7736 +2.22e+07 I17.CD1,HD1#; I17.HA >> 1399 110 3.7083 0.4101 34.7662 +1.92e+07 I17.CD1,HD1#; T13.HA >> 1342 110 0.6633 4.4673 34.7417 +6.40e+07 L74.CA,HA; L74.HD1# >> 1343 110 1.1959 4.4569 34.6933 +1.34e+07 L74.CA,HA; L74.HG >> 1674 112 3.9457 2.7063 34.5234 +1.64e+07 Q64.CG,HG1; Q64.HA >> 462 112 0.7535 4.1022 34.5225 +5.54e+07 L42.CA,HA; L42.HD2# >> 460 112 1.8286 4.1017 34.5131 +1.60e+07 L42.CA,HA; L42.HG >> 461 112 0.8901 4.1017 34.4768 +2.10e+07 L42.CA,HA; L42.HD1# >> 1258 112 2.1233 2.3062 34.3995 +1.86e+08 Q117.CG,HG1|HG2; Q117.HB1 >> 760 113 4.1369 2.5943 34.2670 +2.18e+07 Q67.CG,HG2; Q67.HA >> 745 113 4.1476 2.4551 34.2413 +2.25e+07 Q67.CG,HG1; Q67.HA >> 763 114 2.1553 2.5931 34.2168 +4.68e+07 Q67.CG,HG2; Q67.HB1|HB2 >> 453 114 1.4810 4.1506 34.1825 +1.60e+08 A41.CA,HA; A41.HB# >> 741 114 3.9683 2.4761 34.1437 +2.68e+07 Q67.CG,HG1; Q64.HA >> 1146 114 2.1553 2.5931 34.1437 +4.68e+07 Q67.CG,HG2; Q67.HB1|HB2 >> 1540 114 1.1997 4.1426 34.1256 +1.31e+07 A41.CA,HA; T43.HG2# >> 1680 114 3.9702 2.5995 34.1247 +1.42e+07 Q67.CG,HG2; Q64.HA >> 1363 115 0.8243 1.8349 34.0418 +1.51e+07 V5.CB,HB; L31.HD1# >> 639 115 2.7644 4.6047 34.0057 +4.25e+07 D57.CA,HA; D57.HB1 >> 1313 115 0.9914 1.8309 33.9995 +2.58e+07 V5.CB,HB; V5.HG1# >> 1624 115 0.2279 4.6024 33.9942 +1.19e+07 D57.CA,HA; V58.HG2# >> 1623 115 3.3428 4.5984 33.9916 +1.16e+07 D57.CA,HA; V58.HA >> 277 115 2.2442 5.0103 33.9580 +1.16e+07 Q27.CA,HA; Q27.HB2 >> 642 115 2.2577 4.6099 33.9526 +8.76e+06 D57.CA,HA; Q59.HB2 >> 638 115 2.5889 4.6011 33.9452 +4.70e+07 D57.CA,HA; D57.HB2 >> 641 115 2.0864 4.6042 33.9387 +1.46e+07 D57.CA,HA; E60.HB1|HB2 >> 1141 115 2.1839 2.4782 33.9193 +9.61e+07 Q103.CG,HG2; Q103.HB1|HB2 >> 1140 116 3.9868 2.4820 33.8791 +3.07e+07 Q103.CG,HG2; Q103.HA >> 1139 116 3.9955 2.3915 33.8696 +1.90e+07 Q103.CG,HG1; Q103.HA >> 107 116 2.8483 4.7368 33.8465 +2.03e+07 D10.CA,HA; D10.HB1 >> 278 116 1.9775 5.0100 33.8353 +1.08e+07 Q27.CA,HA; Q27.HB1 >> 1143 116 1.2233 2.4013 33.8222 +1.02e+07 Q103.CG,HG1; T106.HG2# >> 1778 116 2.8596 0.4629 33.8214 +1.99e+07 I92.CD1,HD1#; Y91.HB1 >> 1755 116 2.0940 2.4011 33.7971 +1.38e+08 Q86.CG,HG1|HG2; Q86.HB2 >> 109 116 2.4267 4.7509 33.7912 +1.15e+07 D10.CA,HA; E9.HG1|HG2 >> 1598 116 1.0427 4.8966 33.7899 +1.05e+07 L49.CA,HA; L6.HB2 >> 941 116 4.4984 2.4027 33.7817 +5.69e+07 Q86.CG,HG1|HG2; Q86.HA >> 108 116 2.6566 4.7361 33.7741 +2.77e+07 D10.CA,HA; D10.HB2 >> 1142 116 1.2300 2.4820 33.7739 +9.63e+06 Q103.CG,HG2; T106.HG2# >> 1337 116 0.6964 4.8979 33.7592 +3.42e+07 L49.CA,HA; L49.HD1# >> 1003 117 2.4345 0.4635 33.7400 +1.75e+07 I92.CD1,HD1#; Q104.HG2 >> 2026 117 0.9260 4.9951 33.7399 +1.01e+07 Q27.CA,HA; V28.HG2# >> 1777 117 3.0458 0.4666 33.7362 +3.00e+07 I92.CD1,HD1#; F77.HB1 >> 999 117 3.2360 0.4601 33.7353 +2.72e+07 I92.CD1,HD1#; V105.HA >> 1775 117 4.2610 0.4645 33.7302 +1.22e+07 I92.CD1,HD1#; F101.HA >> 589 117 1.9982 4.8843 33.7302 +1.34e+07 L49.CA,HA; L49.HB1 >> 1007 117 1.8783 0.4575 33.7140 +6.67e+07 I92.CD1,HD1#; I92.HB >> 1009 117 1.3774 0.4599 33.7118 +1.07e+08 I92.CD1,HD1#; R90.HG1 >> 1781 117 1.5874 0.4582 33.7028 +3.54e+07 I92.CD1,HD1#; L79.HG >> 1010 117 1.0504 0.4593 33.6990 +2.10e+08 I92.CD1,HD1#; I92.HG2# >> 993 117 4.6175 0.4619 33.6980 +2.84e+07 I92.CD1,HD1#; I92.HA >> 1019 117 0.0079 0.4581 33.6964 +1.36e+08 I92.CD1,HD1#; V105.HG1# >> 1022 117 0.2955 0.4580 33.6940 +7.31e+07 I92.CD1,HD1#; V105.HG2# >> 1015 117 0.7091 0.4576 33.6827 +9.03e+07 I92.CD1,HD1#; L48.HD1# >> 1782 117 0.8438 0.4580 33.6825 +1.50e+08 I92.CD1,HD1#; L79.HD1#|HD2# >> 1780 117 2.6316 0.4554 33.6726 +1.80e+07 I92.CD1,HD1#; Q104.HG1 >> 1005 117 2.0823 0.4589 33.6707 +2.15e+07 I92.CD1,HD1#; Q104.HB1 >> 1776 117 3.8164 0.4590 33.6588 +1.99e+07 I92.CD1,HD1#; P93.HD1|HD2 >> 284 120 0.9646 2.0070 33.2762 +4.35e+07 V28.CB,HB; V28.HG1# >> 830 120 1.7762 4.9327 33.2591 +2.38e+07 K75.CA,HA; K75.HD1 >> 949 120 0.7149 1.9030 33.2210 +4.79e+07 V88.CB,HB; V88.HG2# >> 1334 120 0.8061 4.7945 33.1994 +4.73e+07 L31.CA,HA; L31.HD1# >> 950 120 0.4583 1.9050 33.1936 +4.67e+07 V88.CB,HB; V88.HG1# >> 1585 120 0.4626 5.1130 33.1764 +1.44e+07 L48.CA,HA; I92.HD1# >> 1483 120 1.2141 5.9211 33.1763 +9.96e+06 W30.CA,HA; L6.HG >> 948 120 3.8021 1.9305 33.1389 +1.34e+07 V88.CB,HB; V88.HA >> 1484 120 0.9766 5.9178 33.1296 +1.19e+07 W30.CA,HA; V5.HG2# >> 1485 121 0.7503 5.9186 33.1274 +1.50e+07 W30.CA,HA; L6.HD2# >> 1088 121 3.2718 5.1150 33.1160 +1.81e+07 H97.CA,HA; H97.HB1 >> 1336 121 0.7207 5.1144 33.0881 +2.94e+07 L48.CA,HA; L48.HD1# >> 1814 121 3.9020 5.1141 33.0682 +2.20e+07 H97.CA,HA; P98.HD2 >> 1089 121 3.1017 5.1080 33.0530 +1.92e+07 H97.CA,HA; H97.HB2 >> 848 122 2.7036 5.7210 32.9612 +1.07e+07 F77.CA,HA; F77.HB2 >> 775 122 4.4763 2.0835 32.9294 +1.02e+07 R68.CB,HB1; R68.HA >> 886 122 0.8429 5.5542 32.9208 +3.79e+07 L79.CA,HA; L79.HD1#|HD2# >> 1683 122 1.7054 2.0909 32.9158 +1.57e+07 R68.CB,HB1; R68.HG1|HG2 >> 1738 122 1.8567 5.5676 32.8825 +1.00e+07 L79.CA,HA; I92.HB >> 1715 122 0.7077 5.6912 32.8818 +1.91e+07 F77.CA,HA; V88.HG2# >> 847 122 3.0087 5.7128 32.8807 +1.21e+07 F77.CA,HA; F77.HB1 >> 883 122 1.5952 5.5597 32.8666 +2.59e+07 L79.CA,HA; L79.HG >> 1725 122 1.5570 0.6431 32.8182 +4.19e+07 I78.CD1,HD1#; L49.HB2 >> 358 123 2.5800 4.7394 32.7852 +6.82e+07 D33.CA,HA; D33.HB1|HB2 >> 856 123 5.0434 0.6427 32.7645 +4.77e+07 I78.CD1,HD1#; I78.HA >> 867 123 1.2001 0.6435 32.7619 +2.77e+08 I78.CD1,HD1#; I78.HG2# >> 860 123 -0.0885 0.6439 32.7590 +2.13e+08 I78.CD1,HD1#; V58.HG1# >> 1727 123 0.2227 0.6434 32.7508 +2.32e+08 I78.CD1,HD1#; V58.HG2# >> 1726 123 0.4837 0.6445 32.7456 +2.31e+08 I78.CD1,HD1#; V88.HG1# >> 1724 123 1.9100 0.6364 32.7455 +2.62e+07 I78.CD1,HD1#; V88.HB >> 873 123 1.7411 0.6363 32.7310 +5.13e+07 I78.CD1,HD1#; I78.HB >> 1739 123 1.4510 5.5540 32.7224 +1.50e+07 L79.CA,HA; A50.HB# >> 1355 123 1.9408 0.1317 32.6743 +2.30e+07 I4.CD1,HD1#; L21.HG >> 1356 124 0.3285 0.1326 32.5621 +8.21e+07 I4.CD1,HD1#; V105.HG2# >> 23 124 0.5869 0.1341 32.5600 +2.82e+08 I4.CD1,HD1#; I4.HG2# >> 21 124 0.9376 0.1344 32.5558 +1.24e+08 I4.CD1,HD1#; I4.HG11 >> 18 124 1.2999 0.1361 32.5538 +8.04e+07 I4.CD1,HD1#; I4.HG12 >> 22 124 0.7236 0.1349 32.5465 +2.72e+08 I4.CD1,HD1#; L109.HD1# >> 1354 124 1.0269 0.1343 32.5452 +1.75e+08 I4.CD1,HD1#; A46.HB# >> 17 124 1.5365 0.1369 32.5364 +6.47e+07 I4.CD1,HD1#; I4.HB >> 1253 124 1.4351 4.4214 32.5314 +3.25e+08 A113.CA,HA; A113.HB# >> 1206 124 4.1953 2.0161 32.5038 +1.22e+07 M107.CB,HB2; M107.HA >> 14 125 4.2360 0.1319 32.4690 +1.14e+07 I4.CD1,HD1#; L21.HA >> 13 125 4.6535 0.1365 32.4504 +4.31e+07 I4.CD1,HD1#; I4.HA >> 1205 125 4.2035 2.5781 32.4495 +2.24e+07 M107.CG,HG2; M107.HA >> 1213 125 2.5603 2.0159 32.4336 +1.71e+07 M107.CB,HB2; M107.HG2 >> 254 125 1.6904 4.4133 32.4120 +1.45e+08 A24.CA,HA; A24.HB# >> 1210 125 2.5835 2.1239 32.4034 +2.47e+07 M107.CB,HB1; M107.HG2 >> 1202 125 4.1972 2.7340 32.3996 +2.09e+07 M107.CG,HG1; M107.HA >> 1212 125 2.7281 2.1277 32.3896 +1.78e+07 M107.CB,HB1; M107.HG1 >> 1211 125 2.7184 2.0101 32.3833 +2.27e+07 M107.CB,HB2; M107.HG1 >> 913 125 3.5781 1.5892 32.3807 +1.97e+07 K82.CB,HB2; K82.HA >> 916 126 1.1752 1.6692 32.3289 +3.22e+07 K82.CB,HB1; K82.HG1|HG2 >> 1204 126 4.2158 2.1361 32.3242 +1.28e+07 M107.CB,HB1; M107.HA >> 912 126 3.5807 1.6718 32.2986 +2.33e+07 K82.CB,HB1; K82.HA >> 917 126 1.1685 1.5744 32.2938 +3.22e+07 K82.CB,HB2; K82.HG1|HG2 >> 924 126 2.6792 4.8155 32.2619 +1.56e+08 N84.CA,HA; N84.HB1 >> 925 126 2.4647 4.8158 32.2584 +1.38e+08 N84.CA,HA; N84.HB2 >> 1805 127 0.8353 0.2168 32.0900 +3.20e+08 I96.CD1,HD1#; L79.HD1#|HD2# >> 1065 127 1.6542 0.2166 32.0821 +8.96e+07 I96.CD1,HD1#; I96.HB >> 1067 127 1.0531 0.2164 32.0819 +3.38e+08 I96.CD1,HD1#; I96.HG11|HG12 >> 1070 127 0.4208 0.2173 32.0761 +3.37e+08 I96.CD1,HD1#; I96.HG2# >> 1804 127 1.3758 0.2172 32.0743 +3.56e+07 I96.CD1,HD1#; I92.HG11 >> 1801 127 3.7094 0.2176 32.0598 +2.27e+07 I96.CD1,HD1#; T13.HA >> 1349 128 0.8378 4.3066 32.0227 +5.76e+07 L94.CA,HA; L94.HD2# >> 381 128 0.9916 2.0439 31.9302 +9.88e+07 V36.CB,HB; V36.HG2# >> 382 128 0.8591 2.0456 31.9085 +1.40e+08 V36.CB,HB; V36.HG1# >> 377 128 3.4886 2.0503 31.8917 +4.15e+07 V36.CB,HB; V36.HA >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 H-aliphatic . 'not observed' 7211.539 Hz 1918.60 . . 30093 3 >> 2 C 13 C-aliphatic . folded 3023.204 Hz 5944.17 . . 30093 3 >> 3 H 1 H-aliphatic . 'not observed' 4027.584 Hz 1918.60 . . 30093 3 >> >> stop_ >> >> loop_ >> _Spectral_peak_software.Software_ID >> _Spectral_peak_software.Software_label >> _Spectral_peak_software.Method_ID >> _Spectral_peak_software.Method_label >> _Spectral_peak_software.Entry_ID >> _Spectral_peak_software.Spectral_peak_list_ID >> >> 3 $software_3 . . 30093 3 >> 5 $software_5 . . 30093 3 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_4 _Saveframe_category spectral_peak_list _Details ; Residue numbering for CikA is offset by 612. For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. Residue numbering for KaiB is offset by 200. For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list. ; loop_ _Software_label $software_3 $software_5 stop_ _Experiment_label '13C-edited, 12C-filtered 3D NOESY-HSQC' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H-aliphatic 2 C C-aliphatic 3 H H-aliphatic stop_ _Sample_label $sample_15 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_4 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_4 >> _Spectral_peak_list.Entry_ID 30093 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Sample_ID 15 >> _Spectral_peak_list.Sample_label $sample_15 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 36 >> _Spectral_peak_list.Experiment_name '13C-edited, 12C-filtered 3D NOESY-HSQC' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details >>; >>Residue numbering for CikA is offset by 612. >>For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. >> >>Residue numbering for KaiB is offset by 200. >>For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list. >>; >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Peak Pick Table, File: c12c13internoesy_v9.PCK >> >># >># Input Parameters: >> DATA DIMCOUNT 3 >> DATA X_AXIS 256 3606.79 601.13 3606.191 PPM 0.00 >> DATA Y_AXIS 1024 7211.54 601.13 5408.564 PPM 0.00 >> DATA Z_AXIS 256 3023.20 151.16 7829.947 PPM 0.00 >># >>FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s >>VARS PkID Sl.Z X Y Z Intensity Assign >> 1320 3 0.8872 2.3755 51.6442 +7.27e+06 V32.CB,HB; I245.HG12|HG11 >> 560 25 0.8870 1.8124 49.9513 +6.57e+06 R38.CB,HB1; L225.HD1#|HD2# >> 507 37 0.6927 1.5456 49.0119 +1.18e+07 I29.CG1,HG12; L242.HD1#|HD2# >> 1014 37 1.6573 1.5513 49.0102 +6.95e+06 **** >> 508 37 0.6860 1.3251 48.9909 +1.36e+07 I29.CG1,HG11; L242.HD1#|HD2# >> 1128 37 1.7797 1.6566 48.9494 +5.49e+06 **** >> 1289 38 1.2746 1.5388 48.9315 +8.58e+06 I29.CG1,HG12; A229.HB# >> 1261 40 0.8689 4.3538 48.7277 +1.24e+07 T23.CB,HB; L204.HD1# >> 1260 40 4.3069 4.3545 48.7138 +6.98e+06 T23.CB,HB; L204.HA >> 1246 41 0.8857 1.8768 48.6434 +7.44e+06 I20.CG1,HG11; L204.HD2# >> 1324 44 0.8634 1.5405 48.4414 +1.30e+07 R38.CG,HG2; L225.HD2# >> 1248 44 3.9630 4.2693 48.4297 +9.11e+06 T22.CB,HB; T207.HB >> 550 44 0.8603 1.4159 48.4224 +1.30e+07 R38.CG,HG1; L225.HD1# >> 1249 44 1.1313 4.2746 48.4097 +2.22e+07 T22.CB,HB; T207.HG2# >> 1023 54 0.8808 1.7659 47.6385 +8.26e+06 **** >> 1346 63 1.2383 1.8264 46.9641 +6.83e+06 L42.CG,HG; A229.HB# >> 1347 63 0.8671 1.8340 46.9177 +1.16e+07 L42.CG,HG; L225.HD2# >> 1351 64 0.7239 0.8924 46.9032 +1.80e+07 L42.CD1,HD1#; V244.HG2# >> 1350 64 0.8569 0.8937 46.8825 +5.77e+07 L42.CD1,HD1#; L225.HD2# >> 1349 64 1.2572 0.8973 46.8736 +1.40e+07 L42.CD1,HD1#; A229.HB# >> 1348 64 1.4993 0.8925 46.8725 +1.28e+07 L42.CD1,HD1#; L225.HG >> 1039 65 2.4008 0.9159 46.8222 +5.70e+06 **** >> 1258 70 3.9293 4.0190 46.4433 +7.08e+06 T23.CA,HA; T207.HB >> 446 70 1.1177 3.1436 46.4272 +5.41e+06 C18.CB,HB1; T207.HG2# >> 1236 70 1.4807 3.1526 46.4218 +1.58e+07 C18.CB,HB1; A241.HB# >> 1237 70 1.4870 2.3452 46.4118 +1.37e+07 C18.CB,HB2; A241.HB# >> 1259 70 1.1286 4.0202 46.3979 +9.47e+06 T23.CA,HA; T207.HG2# >> 1238 70 1.1285 2.3611 46.3820 +6.10e+06 C18.CB,HB2; T207.HG2# >> 1299 73 0.8595 0.8478 46.1487 +2.44e+07 L31.CD2,HD2#; L225.HD2# >> 1021 74 3.6542 0.8584 46.1342 +8.50e+06 **** >> 1297 74 1.9001 0.8542 46.0959 +1.36e+07 L31.CD2,HD2#; V244.HB >> 526 74 0.7271 0.8535 46.0717 +2.26e+07 L31.CD2,HD2#; V244.HG1#|HG2# >> 997 81 0.8654 0.7622 45.5781 +3.04e+07 **** >> 996 81 2.9833 0.7611 45.5320 +9.66e+06 **** >> 74 83 3.0663 3.5371 45.3741 +9.91e+06 G25.CA,HA2; K237.HE1|HE2 >> 1235 84 1.4843 3.8891 45.3324 +1.22e+07 C18.CA,HA; A241.HB# >> 1273 84 3.0465 4.1579 45.3224 +6.23e+06 G25.CA,HA1; K237.HE1|HE2 >> 1321 94 1.6991 2.5850 44.5001 +1.27e+07 **** >> 1322 95 3.0225 2.5786 44.4757 +1.21e+07 **** >> 88 99 4.9106 0.9265 44.1474 +1.50e+07 V28.CG2,HG2#; A241.HA >> 89 99 1.4864 0.9258 44.1145 +2.01e+07 V28.CG2,HG2#; A241.HB# >> 1022 101 1.6998 0.8163 43.9568 +6.98e+06 **** >> 523 101 0.7252 0.8073 43.9563 +1.00e+08 L31.CD1,HD1#; V244.HG1#|HG2# >> 1296 101 1.9038 0.8071 43.9561 +7.69e+07 L31.CD1,HD1#; V244.HB >> 1298 101 0.8519 0.8077 43.9537 +5.40e+07 L31.CD1,HD1#; L225.HD1# >> 1328 108 0.8627 3.2101 43.4179 +1.47e+07 R38.CD,HD1; L225.HD2# >> 1326 108 0.7258 3.0323 43.4124 +1.13e+07 R38.CD,HD2; V244.HG1# >> 1325 109 0.7342 3.1975 43.3888 +1.05e+07 R38.CD,HD1; V244.HG2# >> 1329 109 0.8601 3.0311 43.3871 +1.43e+07 R38.CD,HD2; L225.HD1# >> 987 112 4.3553 0.8611 43.1598 +5.69e+06 **** >> 923 112 3.0244 3.1439 43.1271 +2.06e+07 **** >> 1034 114 1.2583 0.9816 42.9620 +6.63e+06 **** >> 1010 115 1.0924 0.9870 42.8620 +1.99e+07 **** >> 1242 115 1.6256 4.0629 42.8617 +1.19e+07 S19.CB,HB1|HB2; R205.HG1|HG2 >> 1244 116 0.8880 4.0640 42.8536 +2.53e+07 S19.CB,HB1|HB2; L204.HD2# >> 1360 116 2.9924 0.7511 42.8270 +1.20e+07 **** >> 1240 116 4.3307 4.0626 42.8167 +1.99e+07 S19.CB,HB1|HB2; R205.HA >> 1243 116 1.1253 4.0580 42.8149 +1.46e+07 S19.CB,HB1|HB2; T207.HG2# >> 1008 116 0.8715 0.9921 42.8022 +2.90e+07 **** >> 1355 116 1.2615 0.7511 42.7994 +8.15e+07 L42.CD2,HD2#; A229.HB# >> 1358 116 1.6877 0.7522 42.7968 +2.33e+07 L42.CD2,HD2#; K226.HG2|HG1 >> 1353 116 0.8588 0.7511 42.7967 +1.23e+08 L42.CD2,HD2#; L225.HD2# >> 1363 116 3.7996 0.7532 42.7842 +4.04e+07 L42.CD2,HD2#; K226.HA >> 1354 116 0.7070 0.7506 42.7799 +2.49e+07 L42.CD2,HD2#; V244.HG2# >> 25 117 3.9521 4.0638 42.7736 +1.99e+07 S19.CB,HB1|HB2; T207.HB >> 1043 117 2.0279 0.7507 42.7613 +1.06e+07 **** >> 1281 117 1.4854 0.9871 42.7529 +4.16e+07 V28.CG1,HG1#; A241.HB# >> 1359 117 1.8639 0.7585 42.7309 +1.03e+07 L42.CD2,HD2#; K226.HB1|HB2 >> 1009 117 0.7239 0.9918 42.7214 +1.50e+07 **** >> 82 117 4.9047 0.9850 42.7179 +2.16e+07 V28.CG1,HG1#; A241.HA >> 1270 128 1.1282 1.3105 41.8822 +6.56e+07 T23.CG2,HG2#; T207.HG2# >> 1365 128 1.6252 1.3103 41.8772 +5.80e+07 T23.CG2,HG2#; L204.HG >> 1266 128 1.7745 1.3096 41.8761 +2.59e+07 T23.CG2,HG2#; K206.HB1|HB2 >> 1306 128 4.0173 0.7259 41.8752 +9.92e+06 V32.CG2,HG2#; I245.HA >> 1309 128 0.7492 0.7245 41.8748 +2.17e+07 V32.CG2,HG2#; I245.HG2# >> 1029 128 3.5791 0.7140 41.8649 +1.69e+07 **** >> 1269 128 0.8723 1.3101 41.8638 +6.32e+07 T23.CG2,HG2#; L204.HD2# >> 1263 128 3.1983 1.3097 41.8560 +2.99e+07 T23.CG2,HG2#; R205.HD1|HD2 >> 1262 129 3.9611 1.3088 41.8325 +1.43e+07 T23.CG2,HG2#; T207.HB >> 1308 129 0.9148 0.7243 41.8313 +6.03e+07 V32.CG2,HG2#; I245.HG12|HG11 >> 1241 129 1.1359 4.4206 41.8232 +1.46e+07 S19.CA,HA; T207.HG2# >> 1239 129 3.9507 4.4215 41.8230 +1.59e+07 S19.CA,HA; T207.HB >> 1027 129 0.5910 0.7255 41.8062 +1.17e+07 **** >> 992 132 1.5784 1.2285 41.5899 +1.78e+07 **** >> 1231 132 0.9816 1.2298 41.5852 +1.26e+08 T15.CG2,HG2#; L269.HD1# >> 1026 132 0.4168 0.7227 41.5646 +1.26e+07 **** >> 995 132 4.1345 1.2389 41.5307 +8.02e+06 **** >> 1229 133 2.0174 1.2291 41.5238 +1.04e+07 T15.CG2,HG2#; V209.HB >> 1250 140 5.4864 1.1558 40.9447 +5.70e+06 T22.CG2,HG2#; Y240.HA >> 1251 140 4.8966 1.1471 40.9403 +7.86e+06 T22.CG2,HG2#; A241.HA >> 1256 140 0.7771 1.1430 40.9363 +1.11e+07 T22.CG2,HG2#; V239.HG2# >> 1035 140 0.7659 0.8667 40.9231 +2.01e+07 **** >> 1253 140 3.9620 1.1479 40.9179 +7.83e+07 T22.CG2,HG2#; T207.HB >> 1255 140 1.1281 1.1475 40.9167 +1.01e+08 T22.CG2,HG2#; T207.HG2# >> 1254 141 1.4997 1.1451 40.8934 +1.41e+07 T22.CG2,HG2#; A241.HB# >> 1036 141 0.9687 0.8654 40.8891 +2.05e+07 **** >> 1252 141 4.4216 1.1453 40.8839 +1.95e+07 T22.CG2,HG2#; T207.HA >> 1000 141 3.0591 1.1445 40.8596 +5.63e+06 **** >> 1283 147 0.6955 5.1150 40.4020 +8.12e+06 I29.CA,HA; L242.HD1# >> 1007 150 4.2863 1.6904 40.1604 +6.69e+06 **** >> 1271 152 1.5877 1.6949 40.0288 +1.17e+07 A24.CB,HB#; L204.HB1|HB2 >> 1272 152 1.7944 1.6971 40.0051 +1.11e+07 **** >> 1317 153 1.3082 0.7707 39.9228 +1.30e+07 V32.CG1,HG1#; I245.HB >> 1311 153 0.2638 0.7708 39.9038 +3.43e+07 V32.CG1,HG1#; I245.HD1# >> 1319 153 4.0155 0.7702 39.8881 +6.52e+07 V32.CG1,HG1#; I245.HA >> 1314 154 0.9121 0.7706 39.8822 +8.86e+07 V32.CG1,HG1#; L253.HD1# >> 1312 154 0.7469 0.7713 39.8729 +6.83e+07 V32.CG1,HG1#; I245.HG2# >> 1024 154 0.4273 0.7807 39.8116 +1.58e+07 **** >> 1291 155 1.9029 0.8836 39.7834 +9.80e+06 I29.CG2,HG2#; V244.HB >> 1294 155 0.8533 0.8839 39.7674 +4.44e+07 I29.CG2,HG2#; L225.HD2# >> 1292 155 1.2897 0.8825 39.7583 +1.77e+07 I29.CG2,HG2#; L242.HG >> 517 155 0.7031 0.8838 39.7492 +8.35e+07 I29.CG2,HG2#; L242.HD1#|HD2# >> 1012 156 1.4933 0.8791 39.6526 +8.58e+06 **** >> 518 158 0.7155 1.8955 39.5721 +6.96e+06 I29.CB,HB; L242.HD2# >> 1046 171 1.2840 1.1768 38.5264 +7.38e+06 **** >> 1045 171 1.0716 1.1708 38.4837 +1.01e+07 **** >> 1343 176 1.3807 1.4917 38.1295 +4.84e+07 A41.CB,HB#; L225.HB2|HB1 >> 989 176 1.6099 1.4934 38.1044 +4.32e+07 **** >> 1247 178 0.8770 1.0914 37.9822 +2.63e+07 I20.CG2,HG2#; L204.HD2# >> 1337 178 3.5657 1.4775 37.9746 +1.99e+07 A41.CB,HB#; V222.HA >> 1339 178 1.8322 1.4746 37.9463 +7.19e+06 A41.CB,HB#; K226.HB1|HB2 >> 1344 179 0.9085 1.4808 37.9306 +1.34e+08 A41.CB,HB#; V222.HG2#|HG1# >> 1338 179 2.0096 1.4776 37.9242 +1.04e+07 A41.CB,HB#; V222.HB >> 1335 179 4.0323 1.4761 37.9230 +9.60e+06 A41.CB,HB#; R223.HA >> 1340 179 1.6817 1.4808 37.9161 +5.39e+07 A41.CB,HB#; K226.HG2|HG1 >> 1334 179 4.2753 1.4804 37.8965 +7.56e+06 **** >> 881 179 2.9445 1.4831 37.8928 +3.68e+07 A41.CB,HB#; K226.HE1|HE2 >> 882 179 3.0244 1.4814 37.8928 +3.58e+07 A41.CB,HB#; K226.HE2|HE1 >> 1336 179 3.8036 1.4855 37.8830 +1.09e+07 A41.CB,HB#; K226.HA >> 1285 217 1.0260 0.8938 34.9288 +1.64e+07 I29.CD1,HD1#; L242.HB2|HB1 >> 1015 217 4.2145 0.8943 34.9032 +7.30e+06 **** >> 1047 217 1.1337 1.0332 34.8938 +9.59e+06 **** >> 1286 217 1.4792 0.8941 34.8917 +1.74e+07 I29.CD1,HD1#; L225.HB1|HB2 >> 1017 217 1.6644 0.8923 34.8884 +8.50e+06 **** >> 1019 217 1.2611 0.8965 34.8863 +9.53e+07 **** >> 1287 217 3.7271 0.8954 34.8855 +3.38e+07 I29.CD1,HD1#; A229.HA >> 499 218 0.6836 0.8959 34.8847 +7.52e+07 I29.CD1,HD1#; L242.HD1#|HD2# >> 1284 218 0.8433 0.8963 34.8789 +4.96e+07 I29.CD1,HD1#; L225.HD2# >> 1245 218 0.8803 0.6994 34.8398 +3.14e+07 **** >> 1016 218 1.9757 0.8971 34.8194 +1.20e+07 **** >> 1288 219 5.0881 0.8990 34.7660 +6.25e+06 I29.CD1,HD1#; L242.HA >> 1333 226 0.8888 4.1523 34.2182 +8.22e+06 A41.CA,HA; V222.HG2#|HG1# >> 1330 227 4.0163 4.1575 34.1808 +7.00e+06 A41.CA,HA; R223.HA >> 1332 229 2.9912 4.1591 33.9921 +7.97e+06 A41.CA,HA; K226.HE2|HE1 >> 1276 231 4.2049 5.0037 33.8064 +8.82e+06 Q27.CA,HA; K237.HA >> 1300 237 0.7235 4.8043 33.3932 +6.35e+06 L31.CA,HA; V244.HG1# >> 1278 237 1.4902 2.0035 33.3495 +1.48e+07 V28.CB,HB; A241.HB# >> 1277 239 4.9040 2.0019 33.1813 +1.01e+07 V28.CB,HB; A241.HA >> 1005 248 4.5148 4.3970 32.5120 +9.67e+07 **** >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 H-aliphatic . 'not observed' 7211.539 Hz 1918.60 . . 30093 4 >> 2 C 13 C-aliphatic . folded 3023.204 Hz 5944.17 . . 30093 4 >> 3 H 1 H-aliphatic . 'not observed' 3606.792 Hz 1918.60 . . 30093 4 >> >> stop_ >> >> loop_ >> _Spectral_peak_software.Software_ID >> _Spectral_peak_software.Software_label >> _Spectral_peak_software.Method_ID >> _Spectral_peak_software.Method_label >> _Spectral_peak_software.Entry_ID >> _Spectral_peak_software.Spectral_peak_list_ID >> >> 3 $software_3 . . 30093 4 >> 5 $software_5 . . 30093 4 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_5 _Saveframe_category spectral_peak_list _Details ; Residue numbering for CikA is offset by 612. For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. Residue numbering for KaiB is offset by 200. For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list. ; loop_ _Software_label $software_3 stop_ _Experiment_label '15N, 13C edited 4D NOESY-HSQC' _Number_of_spectral_dimensions 4 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 N N 3 H H-aliphatic 4 C C-aliphatic stop_ _Sample_label $sample_6 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_5 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_5 >> _Spectral_peak_list.Entry_ID 30093 >> _Spectral_peak_list.ID 5 >> _Spectral_peak_list.Sample_ID 6 >> _Spectral_peak_list.Sample_label $sample_6 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 18 >> _Spectral_peak_list.Experiment_name '15N, 13C edited 4D NOESY-HSQC' >> _Spectral_peak_list.Number_of_spectral_dimensions 4 >> _Spectral_peak_list.Details >>; >>Residue numbering for CikA is offset by 612. >>For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. >> >>Residue numbering for KaiB is offset by 200. >>For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list. >>; >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># pipp Peak Pick Table, File: a.PCK >># Path: /mnt/hgfs/Desktop/data/xipp_assignment_50C_complex/nmr_data_TB_complex/4D-N15-C13-internoe-noesy >># User: yonggang >># Date: Sat Jul 11 23:42:18 2015 >> >># >># Input Parameters: >> DATA DIMCOUNT 4 >> DATA X_AXIS 128 4809.06 601.13 3930.206 PPM 0.01 >> DATA Y_AXIS 512 3605.77 601.13 6333.710 PPM 0.01 >> DATA Z_AXIS 32 3023.21 151.16 8011.652 PPM 0.63 >> DATA A_AXIS 32 1583.90 60.92 8062.845 PPM 0.08 >># HZ_START_X: -1.4PPM HZ_END_X: 6.54PPM >># HZ_START_Y: 4.5PPM HZ_END_Y: 10.54PPM >># SLICE_START_Z: 0 SLICE_END_Z: 32 >># SLICE_START_A: 0 SLICE_END_A: 32 >># PK_X_DEV: 10.0, PK_Y_DEV: 10.0; PK_MIN_LEVALS: 2 >># MAX_PARAB_XDEV: 36.07, MAX_PARAB_YDEV: 240.45 >># MIN_UNIQUE_X: 28.18; MIN_UNIQUE_Y: 5.28; MIN_UNIQUE_Z: 70.86; MIN_UNIQUE_A: 37.12 >># >>FORMAT %4d %3d %3d %7.2f %7.2f %7.2f %7.2f %+8.2e %s %s >>VARS PkID Sl.A Sl.Z X Y Z A Intensity Assign1 Assign2 >> 8 8 22 0.85 8.57 39.87 126.70 +6.07e+06 I29.CG2,HG2#; V244.N,HN >> 3 9 22 0.76 8.71 39.88 126.12 +6.48e+06 V32.CG1,HG1#; D246.N,HN >> 9 13 19 1.28 8.16 41.69 122.62 +5.46e+06 T23.CG2,HG2#; K206.N,HN >> 14 13 25 1.45 8.17 37.87 122.47 +4.50e+06 A41.CB,HB#; V222.N,HN >> 2 17 17 0.74 8.43 42.87 119.35 +6.24e+06 L42.CD2,HD2#; A229.N,HN >> 15 17 30 0.91 8.42 34.86 119.28 +5.21e+06 I29.CD1,HD1#; A229.N,HN >> 1 18 20 1.15 7.88 41.08 118.61 +6.99e+06 T22.CG2,HG2#; V239.N,HN >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 HN . 'not observed' 7211.539 Hz 2828.00 . . 30093 5 >> 2 N 15 N . folded 1583.899 Hz 7278.86 . . 30093 5 >> 3 H 1 H-aliphatic . 'not observed' 4809.062 Hz 2828.00 . . 30093 5 >> 4 C 13 C-aliphatic . folded 3023.208 Hz 6121.94 . . 30093 5 >> >> stop_ >> >> loop_ >> _Spectral_peak_software.Software_ID >> _Spectral_peak_software.Software_label >> _Spectral_peak_software.Method_ID >> _Spectral_peak_software.Method_label >> _Spectral_peak_software.Entry_ID >> _Spectral_peak_software.Spectral_peak_list_ID >> >> 3 $software_3 . . 30093 5 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_6 _Saveframe_category spectral_peak_list _Details . loop_ _Software_label $software_3 $software_5 stop_ _Experiment_label '3D 13C edited 1H-13C NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H-aliphatic 2 C C-aliphatic 3 H H-aliphatic stop_ _Sample_label $sample_4 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_6 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_6 >> _Spectral_peak_list.Entry_ID 30093 >> _Spectral_peak_list.ID 6 >> _Spectral_peak_list.Sample_ID 4 >> _Spectral_peak_list.Sample_label $sample_4 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 29 >> _Spectral_peak_list.Experiment_name '3D 13C edited 1H-13C NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Peak Pick Table, File: c13noesy_combine_v9.PCK >> >># >># Input Parameters: >> DATA DIMCOUNT 3 >> DATA X_AXIS 256 4027.58 601.13 3817.188 PPM 0.00 >> DATA Y_AXIS 1024 7211.54 601.13 5409.165 PPM 0.00 >> DATA Z_AXIS 128 3023.20 151.16 7830.098 PPM 0.00 >># >>FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s >>VARS PkID Sl.Z X Y Z Intensity Assign >> 1902 1 4.8968 2.3651 51.7710 +1.46e+07 V32.CB,HB; E9.HA >> 1321 1 0.6680 1.9261 51.7336 +1.74e+07 V7.CB,HB; V7.HG2# >> 1273 2 0.7488 2.3551 51.7131 +9.20e+07 V32.CB,HB; V32.HG1# >> 1632 2 -0.0909 1.1853 51.7061 +7.45e+07 V58.CB,HB; V58.HG1# >> 651 2 3.3187 1.1732 51.7009 +2.78e+07 V58.CB,HB; V58.HA >> 340 2 4.5197 2.3557 51.6962 +2.96e+07 V32.CB,HB; V32.HA >> 1631 2 0.2350 1.1818 51.6806 +8.33e+07 V58.CB,HB; V58.HG2# >> 1154 2 3.2333 1.5698 51.6457 +1.13e+07 V105.CB,HB; V105.HA >> 106 2 4.8831 2.1105 51.6259 +1.31e+07 E9.CB,HB2; E9.HA >> 1320 3 -0.0307 1.9051 51.5551 +1.42e+07 V7.CB,HB; V7.HG1# >> 1157 3 0.3194 1.5675 51.5040 +3.65e+07 V105.CB,HB; V105.HG2# >> 1155 3 3.6513 1.5690 51.4810 +1.20e+07 V105.CB,HB; L102.HA >> 1156 3 0.0094 1.5580 51.4721 +2.98e+07 V105.CB,HB; V105.HG1# >> 2027 4 -0.0680 8.7796 51.3312 +9.32e+06 **** >> 1040 6 2.0090 3.8142 51.0628 +1.19e+07 P93.CD,HD1|HD2; P93.HG1|HG2 >> 603 8 1.4758 5.3495 50.6607 +4.01e+07 A50.CA,HA; A50.HB# >> 1606 8 1.5847 5.3498 50.6576 +2.54e+07 A50.CA,HA; L79.HB1|HB2 >> 1257 9 2.2946 2.1188 50.6060 +1.19e+08 Q117.CB,HB1; Q117.HG1|HG2 >> 1607 9 0.8354 5.3482 50.5909 +2.06e+07 A50.CA,HA; L79.HD1#|HD2# >> 1569 9 0.6788 5.3830 50.5031 +2.28e+07 A46.CA,HA; L74.HD1# >> 522 9 1.0297 5.3836 50.4727 +3.10e+07 A46.CA,HA; A46.HB# >> 117 11 4.1445 2.2357 50.3006 +2.16e+07 E11.CB,HB1|HB2; E11.HA >> 1382 11 2.4850 2.2447 50.2450 +4.69e+07 E11.CB,HB1|HB2; E11.HG1 >> 1234 12 1.2992 4.3371 50.0582 +2.85e+08 T110.CB,HB; T110.HG2# >> 473 14 3.8791 4.4230 49.7807 +4.63e+07 T43.CB,HB; T43.HA >> 1255 14 1.2385 4.2805 49.7753 +1.04e+08 T114.CB,HB; T114.HG2# >> 477 14 1.2116 4.4214 49.7501 +1.67e+08 T43.CB,HB; T43.HG2# >> 1754 15 4.4988 2.0624 49.6687 +2.22e+07 Q86.CB,HB1; Q86.HA >> 1096 16 2.3491 2.0683 49.4668 +1.84e+08 E99.CB,HB1; E99.HG1|HG2 >> 1095 16 4.1448 2.0685 49.4635 +5.57e+07 E99.CB,HB1; E99.HA >> 807 16 4.0529 1.9547 49.4579 +1.96e+07 E72.CB,HB2; E72.HA >> 921 19 2.9502 1.5549 49.0125 +1.02e+08 K82.CD,HD1|HD2; K82.HE1|HE2 >> 922 19 3.5785 1.5475 49.0071 +1.78e+07 K82.CD,HD1|HD2; K82.HA >> 923 19 1.1760 1.5511 48.9952 +1.30e+08 K82.CD,HD1|HD2; K82.HG1|HG2 >> 1679 19 2.6003 2.1641 48.9809 +2.28e+07 Q67.CB,HB1|HB2; Q67.HG2 >> 313 19 1.5364 1.3224 48.9383 +2.03e+07 I29.CG1,HG11; I29.HG12 >> 314 19 0.8852 1.3215 48.9351 +2.69e+07 I29.CG1,HG11; I29.HG2# >> 1514 20 3.9384 1.9867 48.8936 +1.94e+07 E37.CB,HB2; E37.HA >> 761 20 4.1431 2.1639 48.8643 +3.32e+07 Q67.CB,HB1|HB2; Q67.HA >> 1191 20 2.1965 4.2507 48.8169 +1.70e+07 T106.CB,HB; Q103.HB1|HB2 >> 764 20 2.4562 2.1584 48.7893 +4.20e+07 Q67.CB,HB1|HB2; Q67.HG1 >> 245 21 3.7518 4.3679 48.7335 +1.25e+07 T23.CB,HB; I20.HA >> 242 21 4.0244 4.3539 48.7299 +4.03e+07 T23.CB,HB; T23.HA >> 1187 21 1.2466 4.2401 48.7166 +1.34e+08 T106.CB,HB; T106.HG2# >> 247 21 1.3091 4.3494 48.7118 +1.31e+08 T23.CB,HB; T23.HG2# >> 1184 21 3.7802 4.2480 48.6948 +3.21e+07 T106.CB,HB; T106.HA >> 1185 21 3.9975 4.2406 48.6386 +3.47e+07 T106.CB,HB; Q103.HA >> 1728 22 0.6598 1.2809 48.5236 +2.15e+07 I78.CG1,HG12; I78.HD1# >> 560 22 0.8445 1.6020 48.5035 +6.80e+07 L48.CG,HG; L48.HD2# >> 1520 22 0.7847 1.6915 48.4482 +8.43e+07 L39.CG,HG; L39.HD1# >> 236 23 1.1455 4.2831 48.4069 +3.88e+07 T22.CB,HB; T22.HG2# >> 423 23 1.8236 1.6882 48.3995 +3.71e+07 L39.CG,HG; L39.HB1 >> 424 23 1.4789 1.6902 48.3930 +4.48e+07 L39.CG,HG; L39.HB2 >> 421 23 3.7351 1.6875 48.3898 +2.59e+07 L39.CG,HG; L39.HA >> 559 23 0.7144 1.5900 48.3850 +8.02e+07 L48.CG,HG; L48.HD1# >> 1519 23 0.9784 1.6930 48.3424 +3.87e+07 L39.CG,HG; V5.HG1# >> 1586 23 1.0382 1.5965 48.3097 +1.58e+07 L48.CG,HG; A46.HB# >> 889 24 5.5660 1.6141 48.2774 +1.29e+07 L79.CG,HG; L79.HA >> 832 24 2.9865 1.5246 48.2421 +1.58e+07 K75.CD,HD2; K75.HE2 >> 139 24 1.2294 4.1361 48.2343 +6.71e+07 T15.CB,HB; T15.HG2# >> 234 24 4.6842 4.2633 48.1975 +1.05e+07 T22.CB,HB; T22.HA >> 791 24 3.8856 4.7639 48.1622 +1.09e+07 T70.CB,HB; P71.HD1|HD2 >> 1137 24 2.3984 2.1987 48.1600 +6.45e+07 Q103.CB,HB1|HB2; Q103.HG1 >> 1134 24 3.9840 2.1911 48.1511 +2.64e+07 Q103.CB,HB1|HB2; Q103.HA >> 1835 24 4.5779 2.1858 48.1481 +1.49e+07 Q103.CB,HB1|HB2; S100.HA >> 792 25 1.3538 4.7740 48.0878 +4.35e+07 T70.CB,HB; T70.HG2# >> 129 25 1.0392 3.7061 48.0871 +7.61e+07 T13.CB,HB; T13.HG2# >> 831 26 4.9387 1.5291 47.9511 +1.17e+07 K75.CD,HD2; K75.HA >> 1769 26 0.4425 1.4387 47.9174 +1.47e+07 R90.CG,HG2; I92.HD1# >> 130 26 1.4893 3.7013 47.8865 +1.22e+07 T13.CB,HB; A12.HB# >> 975 27 4.5551 1.4569 47.7990 +1.32e+07 R90.CG,HG2; R90.HA >> 974 27 4.5412 1.3910 47.7863 +1.17e+07 R90.CG,HG1; R90.HA >> 710 27 2.0721 3.2403 47.7858 +1.12e+07 V62.CA,HA; V62.HB >> 977 27 3.0551 1.3894 47.7845 +1.43e+07 R90.CG,HG1; R90.HD1 >> 979 27 2.8753 1.4391 47.7794 +1.77e+07 R90.CG,HG2; R90.HD2 >> 976 27 3.0409 1.4428 47.7763 +1.92e+07 R90.CG,HG2; R90.HD1 >> 712 27 0.7160 3.2447 47.7309 +5.58e+07 V62.CA,HA; V62.HG2# >> 711 27 0.9120 3.2512 47.7224 +2.58e+07 V62.CA,HA; V62.HG1# >> 978 27 2.8708 1.3936 47.6896 +1.65e+07 R90.CG,HG1; R90.HD2 >> 981 27 0.4579 1.3731 47.6758 +1.74e+07 R90.CG,HG1; I92.HD1# >> 1367 27 0.7458 1.2306 47.6597 +2.30e+07 L6.CG,HG; L6.HD2# >> 140 28 1.2355 3.4769 47.6126 +2.62e+07 T15.CA,HA; T15.HG2# >> 696 28 0.8305 1.5641 47.6091 +1.05e+08 L61.CG,HG; L61.HD2# >> 1017 28 0.4530 1.3646 47.6056 +1.72e+07 I92.CG1,HG11; I92.HD1# >> 1684 29 3.9520 1.7152 47.4593 +1.25e+07 R68.CG,HG1|HG2; Q64.HA >> 694 29 4.0258 1.5464 47.4376 +2.11e+07 L61.CG,HG; L61.HA >> 778 29 2.0954 1.7138 47.4264 +3.39e+07 R68.CG,HG1|HG2; R68.HB1 >> 1530 29 3.1414 1.7136 47.4250 +7.63e+07 R68.CG,HG1|HG2; R68.HD1|HD2 >> 1649 29 3.2948 1.5504 47.4166 +1.15e+07 L61.CG,HG; V58.HA >> 776 29 4.4735 1.7104 47.3655 +3.30e+07 R68.CG,HG1|HG2; R68.HA >> 1685 29 2.4738 1.7247 47.3645 +1.37e+07 R68.CG,HG1|HG2; Q67.HG1 >> 1686 30 0.7889 1.7153 47.2550 +6.00e+07 R68.CG,HG1|HG2; L40.HD2# >> 1037 31 3.8074 2.0441 47.1464 +1.74e+07 P93.CG,HG1|HG2; P93.HD1|HD2 >> 1247 31 4.4051 1.6604 47.1348 +5.08e+07 L112.CG,HG; L112.HA >> 1038 31 2.2932 2.0223 47.1123 +1.95e+07 P93.CG,HG1|HG2; P93.HB1 >> 1039 31 1.8837 2.0261 47.0984 +1.97e+07 P93.CG,HG1|HG2; P93.HB2 >> 1496 32 1.8307 3.4893 47.0193 +1.84e+07 V36.CA,HA; L39.HB1 >> 1548 32 1.9786 0.8997 47.0187 +1.98e+07 L42.CD1,HD1#; L42.HB1 >> 1831 32 1.2456 1.6208 47.0047 +1.58e+07 L102.CG,HG; T106.HG2# >> 149 32 0.8637 1.3496 46.9920 +4.38e+07 L16.CG,HG; L16.HD1# >> 1497 32 1.4743 3.4785 46.9843 +1.80e+07 V36.CA,HA; L39.HB2 >> 148 32 4.0960 1.3434 46.9636 +1.30e+07 L16.CG,HG; L16.HA >> 1806 32 0.8307 1.0669 46.9580 +2.50e+07 I96.CG1,HG11|HG12; L79.HD1#|HD2# >> 1324 32 0.9876 3.4923 46.9562 +5.88e+07 V36.CA,HA; V36.HG2# >> 1302 32 2.0551 3.4916 46.9301 +4.14e+07 V36.CA,HA; V36.HB >> 1072 32 0.4215 1.0687 46.9116 +3.46e+07 I96.CG1,HG11|HG12; I96.HG2# >> 1071 32 1.6648 1.0656 46.9101 +1.82e+07 I96.CG1,HG11|HG12; I96.HB >> 235 32 1.1444 4.7064 46.9032 +3.74e+07 T22.CA,HA; T22.HG2# >> 1498 32 0.7912 3.4900 46.8969 +7.08e+07 V36.CA,HA; L61.HD1# >> 1073 32 0.2159 1.0636 46.8917 +3.84e+07 I96.CG1,HG11|HG12; I96.HD1# >> 1900 32 1.4824 0.8918 46.8880 +3.32e+07 L42.CD1,HD1#; A41.HB# >> 1192 33 0.7421 3.7766 46.8781 +2.68e+07 T106.CA,HA; L109.HD1# >> 824 33 4.4641 0.6552 46.8743 +1.80e+07 L74.CD2,HD2#; L74.HA >> 439 33 3.9202 1.7083 46.8709 +1.17e+07 L40.CG,HG; L40.HA >> 1093 33 2.0638 3.9538 46.8590 +1.54e+07 P98.CA,HA; P98.HB2 >> 464 33 0.8884 1.8378 46.8447 +4.11e+07 L42.CG,HG; L42.HD1# >> 468 33 1.8412 0.8932 46.8410 +5.51e+07 L42.CD1,HD1#; L42.HG >> 828 33 1.1808 0.6479 46.8227 +6.01e+07 L74.CD2,HD2#; L74.HG >> 466 33 4.0989 0.8984 46.8140 +1.42e+07 L42.CD1,HD1#; L42.HA >> 465 33 0.7603 1.8272 46.8070 +2.57e+07 L42.CG,HG; L42.HD2# >> 1188 33 1.2481 3.7749 46.8030 +6.94e+07 T106.CA,HA; T106.HG2# >> 825 33 2.4932 0.6451 46.7971 +9.82e+06 L74.CD2,HD2#; C69.HB2 >> 1899 33 3.7371 0.8992 46.7898 +1.65e+07 L42.CD1,HD1#; L39.HA >> 1702 33 1.7360 0.6542 46.7455 +2.03e+07 L74.CD2,HD2#; V47.HB >> 1186 33 4.2312 3.7753 46.7359 +3.16e+07 T106.CA,HA; T106.HB >> 1853 33 1.5561 3.7794 46.7302 +1.06e+07 T106.CA,HA; V105.HB >> 1190 34 1.9600 3.7708 46.7029 +1.34e+07 T106.CA,HA; L109.HG >> 1534 34 3.9406 0.7941 46.6099 +7.13e+07 L40.CD2,HD2#; L40.HA >> 426 34 3.7172 0.7802 46.5971 +1.99e+07 L39.CD1,HD1#; L39.HA >> 599 35 4.8955 0.5786 46.5566 +1.33e+07 L49.CD2,HD2#; L49.HA >> 1538 35 2.2347 0.7895 46.5286 +1.19e+07 L40.CD2,HD2#; E37.HG1 >> 243 35 4.3518 4.0258 46.5242 +4.22e+07 T23.CA,HA; T23.HB >> 248 35 1.3104 4.0217 46.5213 +8.32e+07 T23.CA,HA; T23.HG2# >> 1955 35 0.7530 1.3590 46.5136 +2.97e+07 I45.CG1,HG11|HG12; L109.HD2# >> 250 35 1.1614 4.0425 46.5135 +1.20e+07 T23.CA,HA; T22.HG2# >> 1521 35 3.4856 0.7839 46.5110 +6.43e+07 L39.CD1,HD1#; V36.HA >> 1525 35 0.6474 0.7867 46.4975 +1.76e+08 L39.CD1,HD1#; V7.HG2# >> 1524 35 0.9927 0.7854 46.4949 +1.42e+08 L39.CD1,HD1#; V36.HG2# >> 451 35 2.0443 0.7903 46.4940 +5.23e+07 L40.CD2,HD2#; R68.HB1 >> 246 35 3.7354 4.0307 46.4875 +1.00e+07 T23.CA,HA; I20.HA >> 503 35 2.1425 1.3640 46.4759 +1.26e+07 I45.CG1,HG11|HG12; I45.HB >> 1215 35 4.3674 1.9502 46.4728 +9.98e+06 L109.CG,HG; L109.HA >> 508 35 1.0409 1.3682 46.4582 +4.22e+07 I45.CG1,HG11|HG12; I45.HD1# >> 1675 35 0.7570 1.9607 46.4571 +5.71e+07 L65.CG,HG; L65.HD1# >> 73 35 1.3684 1.0307 46.4546 +1.14e+07 L6.CB,HB2; L48.HB2 >> 601 35 -0.0859 0.5748 46.4454 +3.46e+07 L49.CD2,HD2#; V58.HG1# >> 1747 35 1.0536 0.8417 46.4266 +1.15e+08 L79.CD1|CD2,HD1#|HD2#; I96.HG11|HG12 >> 509 35 1.1743 1.3719 46.4203 +1.83e+07 I45.CG1,HG11|HG12; I45.HG2# >> 1604 35 1.5357 0.5748 46.4201 +5.45e+07 L49.CD2,HD2#; L49.HG >> 602 36 0.2438 0.5767 46.3848 +5.03e+07 L49.CD2,HD2#; L6.HD1# >> 593 36 0.5814 1.5152 46.3834 +3.53e+07 L49.CG,HG; L49.HD2# >> 1536 36 3.1539 0.7953 46.3830 +4.03e+07 L40.CD2,HD2#; R68.HD1|HD2 >> 600 36 2.0308 0.5825 46.3828 +1.44e+07 L49.CD2,HD2#; L49.HB1 >> 1326 36 0.7166 3.1020 46.3669 +3.65e+07 I17.CA,HA; I17.HG2# >> 1595 36 0.4272 0.8387 46.3428 +2.91e+08 L79.CD1|CD2,HD1#|HD2#; I96.HG2# >> 1327 36 0.4026 3.1051 46.3331 +1.64e+07 I17.CA,HA; I17.HD1# >> 1596 36 0.2241 0.8423 46.3286 +2.19e+08 L79.CD1|CD2,HD1#|HD2#; I96.HD1# >> 891 36 5.5585 0.8379 46.3276 +5.72e+07 L79.CD1|CD2,HD1#|HD2#; L79.HA >> 1216 36 0.8296 1.9451 46.3129 +6.57e+07 L65.CG,HG; L61.HD2# >> 1605 36 3.3366 0.5801 46.2976 +9.39e+06 L49.CD2,HD2#; V58.HA >> 1597 36 0.0067 0.8367 46.2850 +4.55e+07 L48.CD2,HD2#; V105.HG1# >> 1397 36 1.0595 3.1001 46.2837 +1.20e+07 I17.CA,HA; I20.HG2# >> 1970 36 1.5906 0.8412 46.2561 +2.02e+08 L48.CD2,HD2#; L48.HG >> 1625 37 1.5834 3.3159 46.2419 +1.67e+07 V58.CA,HA; L49.HB2 >> 1742 37 5.3353 0.8350 46.2251 +2.57e+07 L79.CD1|CD2,HD1#|HD2#; A50.HA >> 645 37 1.1870 3.3205 46.1839 +2.97e+07 V58.CA,HA; V58.HB >> 1991 37 5.1167 0.8435 46.1553 +2.39e+07 L79.CD1|CD2,HD1#|HD2#; L48.HA >> 1628 37 0.6833 3.3258 46.1541 +1.61e+07 V58.CA,HA; V62.HG2# >> 1842 37 0.7402 3.2376 46.1461 +1.45e+07 V105.CA,HA; L109.HD1# >> 650 37 0.2406 3.3195 46.1428 +5.55e+07 V58.CA,HA; V58.HG2# >> 649 37 -0.0859 3.3159 46.1337 +3.79e+07 V58.CA,HA; V58.HG1# >> 1150 38 0.3210 3.2341 46.0731 +4.96e+07 V105.CA,HA; V105.HG2# >> 1149 38 0.0085 3.2320 46.0482 +4.44e+07 V105.CA,HA; V105.HG1# >> 1148 38 1.5600 3.2406 46.0462 +1.71e+07 V105.CA,HA; V105.HB >> 1372 38 1.4523 0.2569 46.0406 +2.15e+07 L6.CD1,HD1#; A50.HB# >> 1843 38 0.4555 3.2418 46.0270 +1.51e+07 V105.CA,HA; I92.HD1# >> 1790 38 3.7316 0.8896 46.0259 +4.03e+07 L94.CD1,HD1#; G80.HA2 >> 1792 38 1.4888 0.8923 46.0206 +1.40e+08 L94.CD1,HD1#; L94.HG >> 333 38 4.8055 0.8462 46.0189 +1.55e+07 L31.CD2,HD2#; L31.HA >> 1046 38 0.2314 0.8971 46.0187 +2.84e+07 L94.CD1,HD1#; I96.HD1# >> 62 38 1.2083 0.2523 46.0149 +4.09e+07 L6.CD1,HD1#; L6.HG >> 1371 38 1.6147 0.2579 46.0140 +2.99e+07 L6.CD1,HD1#; L6.HB1 >> 1368 38 3.3739 0.2538 46.0087 +3.57e+07 L6.CD1,HD1#; S8.HB2 >> 1373 38 0.9922 0.2549 46.0037 +4.93e+07 L6.CD1,HD1#; L6.HB2 >> 1217 38 4.3784 0.7271 46.0033 +2.28e+07 L109.CD1,HD1#; L109.HA >> 1374 38 0.4047 0.2540 46.0000 +4.24e+07 L6.CD1,HD1#; I17.HD1# >> 1627 38 0.8180 3.3166 45.9957 +2.60e+07 V58.CA,HA; L61.HD2# >> 1745 38 3.7307 0.8464 45.9862 +3.15e+07 L79.CD1|CD2,HD1#|HD2#; G80.HA2 >> 1789 38 4.4252 0.8952 45.9749 +4.24e+07 L94.CD1,HD1#; P95.HA >> 1861 38 1.9560 0.7245 45.9425 +1.02e+08 L109.CD1,HD1#; L109.HG >> 1370 39 2.7046 0.2478 45.8737 +1.83e+07 L6.CD1,HD1#; F77.HB2 >> 1587 39 2.7150 0.6995 45.8662 +1.88e+07 L48.CD1,HD1#; F77.HB2 >> 813 39 0.6463 1.3201 45.8635 +1.59e+07 L74.CB,HB1; L74.HD2# >> 1862 39 0.1373 0.7136 45.8589 +1.54e+08 L48.CD1,HD1#; I4.HD1# >> 1863 39 0.0040 0.7079 45.8463 +1.17e+08 L109.CD1,HD1#; V105.HG1# >> 562 39 5.1004 0.7082 45.8306 +4.12e+07 L48.CD1,HD1#; L48.HA >> 160 39 1.3343 0.7566 45.7946 +7.42e+07 L16.CD2,HD2#; L16.HG >> 568 40 1.5877 0.7117 45.7599 +2.25e+08 L48.CD1,HD1#; L48.HG >> 1394 40 0.4172 0.7585 45.7384 +1.21e+08 L16.CD2,HD2#; I17.HD1# >> 1329 40 1.0540 3.7136 45.6980 +7.38e+07 T13.CA,HA; T13.HG2# >> 433 41 3.7297 0.7587 45.6086 +6.54e+07 L39.CD2,HD2#; L39.HA >> 1526 41 2.2165 0.7678 45.5867 +1.89e+07 L39.CD2,HD2#; P44.HB1 >> 2025 41 1.6606 0.9557 45.5386 +5.15e+08 L102.CD1,HD1#; A24.HB# >> 1974 41 0.2403 0.7862 45.5337 +1.36e+08 L61.CD1,HD1#; V58.HG2# >> 1395 41 1.7124 0.7619 45.5181 +2.24e+08 L39.CD2,HD2#; L39.HG >> 1120 42 3.6480 0.9633 45.4682 +3.56e+07 L102.CD1,HD1#; L102.HA >> 1653 42 -0.0127 0.7857 45.4511 +4.00e+07 L39.CD2,HD2#; V7.HG1# >> 1527 42 0.9838 0.7607 45.4260 +2.67e+08 L39.CD2,HD2#; V5.HG2# >> 1651 42 2.0556 0.7921 45.4204 +3.64e+07 L61.CD1,HD1#; Q64.HB2 >> 1650 42 3.3643 0.7893 45.3990 +3.51e+07 L61.CD1,HD1#; G34.HA2 >> 1406 43 0.9544 3.8942 45.1616 +3.80e+07 C18.CA,HA; V28.HG2# >> 1407 44 0.7162 3.8918 45.1223 +1.16e+07 C18.CA,HA; I17.HG2# >> 799 44 2.1908 4.5064 45.0619 +1.67e+07 P71.CA,HA; P71.HG2 >> 800 44 1.8695 4.4996 45.0349 +3.07e+07 P71.CA,HA; P71.HB2 >> 798 44 2.6835 4.4921 45.0035 +2.98e+07 P71.CA,HA; P71.HB1 >> 910 46 3.5832 1.1699 44.7049 +3.71e+07 K82.CG,HG1|HG2; K82.HA >> 918 47 1.6628 1.1660 44.6796 +5.07e+07 K82.CG,HG1|HG2; K82.HB1 >> 911 47 2.9533 1.1674 44.6504 +7.20e+07 K82.CG,HG1|HG2; K82.HE1|HE2 >> 1599 47 5.0723 0.7100 44.6408 +1.82e+07 L49.CD1,HD1#; I78.HA >> 1603 47 -0.0154 0.7087 44.5752 +5.84e+07 L49.CD1,HD1#; V7.HG1# >> 591 47 4.8867 0.7074 44.5691 +4.80e+07 L49.CD1,HD1#; L49.HA >> 1600 47 1.9337 0.7066 44.5688 +5.29e+07 L49.CD1,HD1#; V7.HB >> 1602 47 0.2469 0.7103 44.5503 +7.85e+07 L49.CD1,HD1#; V58.HG2# >> 364 47 4.7484 2.5786 44.5439 +2.11e+07 D33.CB,HB1|HB2; D33.HA >> 1601 48 1.5414 0.7046 44.5287 +6.89e+07 L49.CD1,HD1#; L49.HG >> 1655 48 -0.0460 0.8332 44.4995 +2.90e+07 L61.CD2,HD2#; V7.HG1# >> 1660 48 3.4667 0.8353 44.4765 +2.89e+07 L61.CD2,HD2#; V36.HA >> 1797 48 2.3654 1.8762 44.4594 +1.41e+07 P95.CG,HG2; P95.HB1 >> 706 48 1.5597 0.8388 44.4475 +1.43e+08 L61.CD2,HD2#; L61.HG >> 1658 48 2.0418 0.8396 44.4455 +6.91e+07 L61.CD2,HD2#; L49.HB1 >> 701 48 4.0309 0.8383 44.4415 +1.05e+08 L61.CD2,HD2#; L61.HA >> 1659 48 3.3331 0.8430 44.4387 +4.16e+07 L61.CD2,HD2#; V58.HA >> 1654 48 0.2456 0.8398 44.4367 +1.18e+08 L61.CD2,HD2#; V58.HG2# >> 1701 49 0.8224 0.6688 44.3589 +3.18e+08 L74.CD1,HD1#; V47.HG2# >> 816 49 5.3786 0.6645 44.3458 +3.37e+07 L74.CD1,HD1#; A46.HA >> 1656 49 0.9912 0.8395 44.3403 +1.75e+08 L61.CD2,HD2#; V36.HG2# >> 1696 49 4.6548 0.6641 44.3382 +3.35e+07 L74.CD1,HD1#; I45.HA >> 818 49 3.8736 0.6560 44.3319 +1.73e+07 L74.CD1,HD1#; T43.HA >> 1698 49 1.7347 0.6646 44.3234 +6.28e+07 L74.CD1,HD1#; P44.HB2 >> 814 49 4.4664 0.6630 44.3028 +1.09e+08 L74.CD1,HD1#; L74.HA >> 1700 49 1.0086 0.6653 44.2983 +7.69e+07 L74.CD1,HD1#; A46.HB# >> 1697 49 2.1852 0.6667 44.2907 +2.01e+07 L74.CD1,HD1#; P44.HB1 >> 821 49 1.1920 0.6653 44.2895 +1.05e+08 L74.CD1,HD1#; L74.HG >> 1467 49 1.1682 0.9362 44.2426 +2.11e+07 V28.CG2,HG2#; L21.HB2 >> 1468 50 5.0627 0.9236 44.1745 +3.18e+07 V28.CG2,HG2#; V28.HA >> 295 50 1.9960 0.9260 44.1084 +9.40e+07 V28.CG2,HG2#; V28.HB >> 1465 50 0.5898 0.9250 44.0964 +7.31e+07 V28.CG2,HG2#; I4.HG2# >> 1469 50 3.8959 0.9307 44.0830 +4.12e+07 V28.CG2,HG2#; C18.HA >> 1464 51 0.4168 0.9245 44.0191 +2.09e+07 V28.CG2,HG2#; I17.HD1# >> 1466 51 0.7203 0.9235 44.0127 +1.50e+08 V28.CG2,HG2#; I17.HG2# >> 1317 51 5.1469 0.7273 44.0096 +1.97e+07 L6.CD2,HD2#; L6.HA >> 1375 51 3.3822 0.7423 43.9678 +1.62e+07 L6.CD2,HD2#; S8.HB2 >> 66 51 1.2225 0.7385 43.9674 +4.15e+07 L6.CD2,HD2#; L6.HG >> 726 51 0.2518 0.7399 43.9550 +1.16e+08 L6.CD2,HD2#; L6.HD1# >> 332 51 4.7972 0.8079 43.9284 +6.39e+07 L31.CD1,HD1#; L31.HA >> 68 51 0.4119 0.7417 43.9238 +5.15e+07 L6.CD2,HD2#; I17.HD1# >> 1463 52 0.1492 0.9168 43.8702 +3.91e+07 V28.CG2,HG2#; I4.HD1# >> 1909 52 3.6307 0.8735 43.8312 +8.43e+07 L102.CD2,HD2#; L102.HA >> 1127 52 0.0150 0.8716 43.8231 +5.04e+07 L102.CD2,HD2#; V105.HG1# >> 1126 52 3.6307 0.8735 43.7554 +8.43e+07 L102.CD2,HD2#; L102.HA >> 1248 53 4.4078 0.8884 43.7279 +4.14e+08 L112.CD1,HD1#; L112.HA >> 748 53 3.9665 0.7644 43.6951 +1.00e+08 L65.CD1,HD1#; L65.HA >> 1250 53 2.9834 0.8831 43.6686 +3.04e+07 L112.CD1,HD1#; K75.HE2 >> 1795 54 0.4273 0.8411 43.5745 +1.11e+08 L94.CD2,HD2#; I96.HG2# >> 1047 54 4.3084 0.8335 43.5708 +1.16e+08 L94.CD2,HD2#; L94.HA >> 1667 54 3.8147 0.7002 43.5674 +2.90e+07 V62.CG2,HG2#; Q59.HA >> 714 54 3.2510 0.7039 43.5645 +6.38e+07 V62.CG2,HG2#; V62.HA >> 1794 54 0.2186 0.8341 43.5627 +1.12e+08 L94.CD2,HD2#; I96.HD1# >> 1669 54 0.4662 0.7049 43.5618 +6.92e+07 V62.CG2,HG2#; V88.HG1# >> 719 54 2.0642 0.7063 43.5603 +8.60e+07 V62.CG2,HG2#; V62.HB >> 1670 54 -0.0857 0.7034 43.5515 +8.42e+07 V62.CG2,HG2#; V58.HG1# >> 1793 54 1.0491 0.8319 43.5505 +1.64e+08 L94.CD2,HD2#; I96.HG11|HG12 >> 1868 55 1.9629 0.7753 43.3610 +1.20e+08 L109.CD2,HD2#; L109.HG >> 1870 55 1.0246 0.7759 43.3161 +2.47e+08 L109.CD2,HD2#; I45.HD1# >> 1223 56 4.3776 0.7762 43.2747 +1.33e+08 L109.CD2,HD2#; L109.HA >> 1867 56 2.9724 0.7719 43.2697 +2.34e+07 L109.CD2,HD2#; K75.HE2 >> 1872 56 0.3162 0.7754 43.2655 +1.03e+08 L109.CD2,HD2#; V105.HG2# >> 1866 56 3.7594 0.7748 43.2583 +1.85e+07 L109.CD2,HD2#; T106.HA >> 1871 56 0.1468 0.7770 43.2441 +5.89e+07 L109.CD2,HD2#; I4.HD1# >> 150 56 4.1012 0.8637 43.2286 +2.07e+08 L16.CD1,HD1#; L16.HA >> 1676 56 4.3776 0.7762 43.2062 +1.33e+08 L109.CD2,HD2#; L109.HA >> 152 56 1.3449 0.8637 43.1988 +1.26e+08 L16.CD1,HD1#; L16.HG >> 1031 57 3.7978 4.5724 43.1077 +1.08e+07 P93.CA,HA; P93.HD1|HD2 >> 156 57 0.2226 0.8704 43.1005 +5.93e+07 L16.CD1,HD1#; I96.HD1# >> 463 57 4.1047 1.9945 43.0911 +1.02e+07 L42.CB,HB1; L42.HA >> 1034 57 1.8780 4.5922 43.0337 +3.28e+07 P93.CA,HA; P93.HB2 >> 540 57 1.7565 0.8549 43.0201 +1.69e+08 V47.CG1,HG1#; V47.HB >> 1032 57 2.2988 4.5856 42.9983 +4.08e+07 P93.CA,HA; P93.HB1 >> 1533 57 1.7152 0.7735 42.9827 +1.94e+08 L40.CD1,HD1#; L40.HG >> 1510 58 2.2635 0.9884 42.9656 +4.61e+07 V36.CG2,HG2#; E60.HG2 >> 538 58 5.0328 0.8513 42.9565 +3.13e+07 V47.CG1,HG1#; V47.HA >> 1033 58 2.0341 4.5867 42.9490 +2.72e+07 P93.CA,HA; P93.HG1|HG2 >> 1531 58 3.9340 0.7725 42.9471 +1.93e+08 L40.CD1,HD1#; L40.HA >> 378 58 3.4894 0.9896 42.9308 +1.29e+08 V36.CG2,HG2#; V36.HA >> 1511 58 1.6975 0.9903 42.9299 +7.11e+07 V36.CG2,HG2#; L39.HG >> 1459 58 2.7146 0.9868 42.9175 +4.47e+07 V28.CG1,HG1#; W30.HB2 >> 1518 58 0.7743 1.8544 42.9161 +4.48e+07 L39.CB,HB1; L39.HD1# >> 1508 58 2.4279 0.9867 42.9113 +3.07e+07 V36.CG2,HG2#; Q64.HG2 >> 1687 58 2.1524 3.1468 42.9005 +1.18e+07 R68.CD,HD1|HD2; Q67.HB1|HB2 >> 774 58 0.7994 3.1554 42.8945 +2.50e+07 R68.CD,HD1|HD2; L40.HD2# >> 1576 58 5.4013 0.8534 42.8931 +1.34e+07 V47.CG1,HG1#; V5.HA >> 1786 58 0.8468 4.5982 42.8927 +1.09e+07 P93.CA,HA; L94.HD2# >> 773 58 1.7170 3.1534 42.8885 +4.43e+07 R68.CD,HD1|HD2; R68.HG1|HG2 >> 394 58 2.0359 0.9890 42.8873 +3.35e+08 V36.CG2,HG2#; V36.HB >> 1389 58 0.7344 3.3777 42.8707 +1.59e+07 S14.CA,HA; I17.HG2# >> 1532 58 3.1489 0.7728 42.8604 +4.00e+07 L40.CD1,HD1#; R68.HD1|HD2 >> 1517 58 0.8002 1.4693 42.8590 +3.22e+07 L39.CB,HB2; L39.HD1# >> 1512 58 1.5428 0.9877 42.8579 +7.22e+07 V28.CG1,HG1#; I4.HB >> 185 58 4.4062 4.0879 42.8554 +1.26e+07 S19.CB,HB1|HB2; S19.HA >> 388 58 3.1427 0.9730 42.8531 +2.67e+07 V28.CG1,HG1#; C18.HB1 >> 1390 59 0.4130 3.3819 42.8065 +1.04e+07 S14.CA,HA; I17.HD1# >> 1458 59 3.9293 0.9853 42.7992 +7.22e+07 V28.CG1,HG1#; C18.HA >> 1850 59 0.4559 0.0085 42.7926 +1.48e+08 V105.CG1,HG1#; I92.HD1# >> 471 59 4.1037 0.7517 42.7924 +1.12e+08 L42.CD2,HD2#; L42.HA >> 1846 59 1.0216 0.0086 42.7916 +4.26e+07 V105.CG1,HG1#; A46.HB# >> 1848 59 0.7140 0.0079 42.7858 +1.82e+08 V105.CG1,HG1#; L21.HD2# >> 1847 59 0.8504 0.0085 42.7812 +6.75e+07 V105.CG1,HG1#; L48.HD2# >> 1162 59 1.5599 0.0087 42.7773 +1.19e+08 V105.CG1,HG1#; V105.HB >> 1159 59 3.2322 0.0089 42.7772 +1.09e+08 V105.CG1,HG1#; V105.HA >> 771 59 4.5024 3.1446 42.7758 +1.36e+07 R68.CD,HD1|HD2; R68.HA >> 1849 59 0.5821 0.0096 42.7620 +6.77e+07 V105.CG1,HG1#; I4.HG2# >> 1388 59 1.0550 3.3767 42.7614 +1.21e+07 S14.CA,HA; T13.HG2# >> 1165 59 1.2271 0.0096 42.7611 +2.02e+07 V105.CG1,HG1#; T106.HG2# >> 1245 59 4.4073 1.6565 42.7566 +9.28e+07 L112.CB,HB1|HB2; L112.HA >> 1246 59 0.9466 1.6545 42.7545 +1.07e+08 L112.CB,HB1|HB2; L112.HD2# >> 1461 59 0.1400 0.9759 42.7242 +2.93e+07 V28.CG1,HG1#; I4.HD1# >> 1161 59 4.2277 0.0032 42.7229 +1.58e+07 V105.CG1,HG1#; T106.HB >> 1844 59 1.8823 0.0135 42.7178 +1.59e+07 V105.CG1,HG1#; Q104.HB2 >> 1901 59 3.0476 0.7506 42.7023 +2.26e+07 L42.CD2,HD2#; R3.HD2 >> 285 59 5.0851 0.9847 42.6981 +4.76e+07 V28.CG1,HG1#; V28.HA >> 658 60 1.1852 0.2372 42.6551 +1.78e+08 V58.CG2,HG2#; V58.HB >> 524 60 5.3809 1.0290 42.6548 +7.07e+07 A46.CB,HB#; A46.HA >> 1642 60 0.6378 0.2357 42.6533 +1.65e+08 V58.CG2,HG2#; I78.HD1# >> 1231 60 1.2987 4.3740 42.6373 +2.12e+08 T110.CA,HA; T110.HG2# >> 531 60 1.3146 1.0236 42.6260 +3.67e+07 V5.CG1,HG1#; I29.HG11 >> 1160 60 3.6354 0.0036 42.6198 +2.25e+07 V105.CG1,HG1#; L102.HA >> 525 60 4.6630 1.0233 42.6197 +1.76e+07 A46.CB,HB#; I4.HA >> 652 60 3.3177 0.2364 42.6120 +1.08e+08 V58.CG2,HG2#; V58.HA >> 665 60 3.1535 0.2391 42.6014 +2.67e+07 V58.CG2,HG2#; F53.HB1 >> 1572 60 0.1390 1.0309 42.5977 +7.78e+07 A46.CB,HB#; I4.HD1# >> 533 60 1.1829 1.0336 42.5738 +1.86e+07 A46.CB,HB#; I45.HG2# >> 1639 60 2.9661 0.2339 42.5730 +1.93e+07 V58.CG2,HG2#; F53.HB2 >> 484 60 1.0164 4.5644 42.5526 +1.20e+07 P44.CA,HA; A46.HB# >> 51 60 1.8290 0.9926 42.5160 +9.22e+07 V5.CG1,HG1#; V5.HB >> 1640 61 1.6046 0.2320 42.4694 +3.61e+07 V58.CG2,HG2#; L49.HB2 >> 55 61 1.8333 0.9886 42.4652 +9.44e+07 V5.CG2,HG2#; V5.HB >> 52 61 5.4098 0.9876 42.4105 +4.21e+07 V5.CG2,HG2#; V5.HA >> 966 62 2.6858 0.7269 42.2811 +2.33e+07 V88.CG2,HG2#; Y85.HB2 >> 965 62 2.9043 0.7173 42.2321 +1.69e+07 V88.CG2,HG2#; Y85.HB1 >> 967 62 1.9079 0.7262 42.2117 +1.05e+08 V88.CG2,HG2#; V88.HB >> 964 63 3.7920 0.7262 42.1806 +6.54e+07 V88.CG2,HG2#; V88.HA >> 1765 63 1.6371 0.7261 42.1581 +1.88e+07 V88.CG2,HG2#; I76.HB >> 1365 63 1.7254 0.9734 42.1546 +7.70e+07 V5.CG2,HG2#; P44.HB2 >> 1759 63 4.6158 0.4486 42.1545 +1.98e+07 V88.CG1,HG1#; I76.HA >> 1761 63 1.5959 0.4556 42.1323 +1.90e+07 V88.CG1,HG1#; L49.HB2 >> 1758 63 5.6904 0.4560 42.1165 +1.40e+07 V88.CG1,HG1#; F77.HA >> 970 63 -0.0971 0.7189 42.1057 +2.06e+07 V88.CG2,HG2#; V58.HG1# >> 1762 63 0.9236 0.4569 42.0910 +3.39e+07 V88.CG1,HG1#; V62.HG1# >> 951 63 3.7923 0.4536 42.0842 +5.37e+07 V88.CG1,HG1#; V88.HA >> 955 63 1.9095 0.4510 42.0840 +1.15e+08 V88.CG1,HG1#; V88.HB >> 1385 63 0.8270 1.0363 42.0784 +2.12e+08 T13.CG2,HG2#; L79.HD1#|HD2# >> 956 63 1.7441 0.4524 42.0767 +3.07e+07 V88.CG1,HG1#; I78.HB >> 958 63 1.3192 0.4519 42.0422 +5.37e+07 V88.CG1,HG1#; I78.HG11 >> 946 63 0.4571 3.7946 42.0401 +2.90e+07 V88.CA,HA; V88.HG1# >> 184 64 4.0639 4.4109 42.0343 +4.01e+07 S19.CA,HA; S19.HB1|HB2 >> 131 64 3.3408 1.0416 42.0330 +1.53e+07 T13.CG2,HG2#; S14.HA >> 1384 64 3.7086 1.0395 42.0227 +2.87e+08 T13.CG2,HG2#; T13.HB >> 1386 64 0.4106 1.0398 42.0181 +1.55e+08 T13.CG2,HG2#; I17.HD1# >> 1764 64 -0.0929 0.4450 42.0170 +1.63e+07 V88.CG1,HG1#; V58.HG1# >> 1387 64 0.2204 1.0385 42.0115 +1.14e+08 T13.CG2,HG2#; I96.HD1# >> 1760 64 2.6832 0.4515 42.0025 +1.34e+07 V88.CG1,HG1#; Y85.HB2 >> 1757 64 1.6497 3.7849 42.0016 +1.08e+07 V88.CA,HA; I76.HB >> 947 64 0.7157 3.7954 41.9932 +5.78e+07 V88.CA,HA; V88.HG2# >> 487 64 1.1797 4.6701 41.9689 +7.05e+07 I45.CA,HA; I45.HG2# >> 1104 64 2.9399 4.2683 41.9570 +2.17e+07 F101.CA,HA; F101.HB2 >> 488 64 1.0341 4.6695 41.9545 +2.15e+07 I45.CA,HA; I45.HD1# >> 1825 64 1.6083 4.2706 41.9510 +1.46e+07 F101.CA,HA; L79.HG >> 1824 64 1.0530 4.2658 41.9351 +1.45e+07 F101.CA,HA; I92.HG2# >> 489 64 1.3809 4.6560 41.9344 +1.30e+07 I45.CA,HA; I45.HG11|HG12 >> 1432 64 1.5514 0.5690 41.9283 +2.05e+07 L21.CD1,HD1#; V105.HB >> 1437 64 0.1378 0.5756 41.9198 +6.29e+07 L21.CD1,HD1#; I4.HD1# >> 485 64 2.1273 4.6711 41.9156 +4.08e+07 I45.CA,HA; I45.HB >> 1433 64 1.0907 0.5733 41.9092 +5.17e+07 L21.CD1,HD1#; I20.HG2# >> 1555 64 4.5211 4.6687 41.9070 +1.11e+07 I45.CA,HA; P44.HA >> 1430 64 1.9329 0.5767 41.8983 +4.81e+07 L21.CD1,HD1#; L21.HG >> 1436 64 0.3226 0.5736 41.8983 +7.78e+07 L21.CD1,HD1#; V105.HG2# >> 217 64 4.2356 0.5756 41.8962 +6.22e+07 L21.CD1,HD1#; L21.HA >> 943 64 1.9179 3.7799 41.8937 +1.04e+07 V88.CA,HA; V88.HB >> 1435 65 0.8845 0.5763 41.8777 +1.18e+08 L21.CD1,HD1#; I4.HG11 >> 1826 65 0.4365 4.2691 41.8647 +2.88e+07 F101.CA,HA; I92.HD1# >> 251 65 4.0231 1.3090 41.8628 +1.94e+08 T23.CG2,HG2#; T23.HA >> 1438 65 0.0077 0.5768 41.8584 +5.54e+07 L21.CD1,HD1#; V105.HG1# >> 2010 65 1.5176 4.4148 41.8518 +2.18e+07 P95.CA,HA; L94.HG >> 1103 65 3.4152 4.2783 41.8350 +1.52e+07 F101.CA,HA; F101.HB1 >> 349 65 4.5175 0.7253 41.8332 +9.48e+07 V32.CG2,HG2#; V32.HA >> 793 65 3.8934 1.3498 41.8310 +4.89e+07 T70.CG2,HG2#; P71.HD1|HD2 >> 693 65 4.0567 1.7021 41.8307 +1.24e+07 L61.CB,HB1; L61.HA >> 1951 65 0.6555 4.6765 41.8120 +1.79e+07 I45.CA,HA; L74.HD1# >> 352 65 2.3627 0.7255 41.8118 +1.48e+08 V32.CG2,HG2#; V32.HB >> 1491 65 4.8878 0.7256 41.7854 +4.06e+07 V32.CG2,HG2#; E9.HA >> 794 65 2.3482 1.3525 41.7752 +2.99e+07 T70.CG2,HG2#; E72.HG2 >> 1666 66 -0.0952 0.9186 41.7210 +2.02e+07 V62.CG1,HG1#; V58.HG1# >> 1049 66 0.8431 4.4190 41.7013 +3.15e+07 P95.CA,HA; L94.HD2# >> 1665 66 0.4634 0.9209 41.6906 +4.10e+07 V62.CG1,HG1#; V88.HG1# >> 1611 66 3.8742 1.4658 41.6903 +2.86e+07 A50.CB,HB#; S8.HB1 >> 1609 66 0.4183 1.4658 41.6868 +1.94e+07 A50.CB,HB#; I96.HG2# >> 1664 66 1.7917 0.9211 41.6853 +1.94e+07 V62.CG1,HG1#; R66.HB2 >> 607 66 5.3424 1.4654 41.6796 +8.29e+07 A50.CB,HB#; A50.HA >> 713 66 3.2509 0.9179 41.6796 +5.77e+07 V62.CG1,HG1#; V62.HA >> 1662 66 4.0762 0.9225 41.6711 +2.24e+07 V62.CG1,HG1#; G87.HA1 >> 718 66 2.0727 0.9164 41.6706 +8.24e+07 V62.CG1,HG1#; V62.HB >> 1663 66 3.7863 0.9193 41.6695 +3.79e+07 V62.CG1,HG1#; V88.HA >> 616 66 0.8411 1.4675 41.6623 +1.87e+08 A50.CB,HB#; L79.HD1#|HD2# >> 608 66 4.7780 1.4639 41.6608 +4.09e+07 A50.CB,HB#; S8.HA >> 1608 66 0.2380 1.4667 41.6570 +4.07e+07 A50.CB,HB#; L6.HD1# >> 144 66 3.4918 1.2301 41.6392 +1.14e+08 T15.CG2,HG2#; T15.HA >> 1610 66 3.3844 1.4626 41.6378 +3.04e+07 A50.CB,HB#; S8.HB2 >> 1195 66 3.7676 1.2413 41.6112 +1.66e+08 T106.CG2,HG2#; T106.HA >> 548 66 1.7471 0.8175 41.5985 +1.14e+08 V47.CG2,HG2#; V47.HB >> 1582 66 0.9789 0.8196 41.5954 +7.63e+07 V47.CG2,HG2#; V5.HG2# >> 1580 66 1.5807 0.8168 41.5934 +4.69e+07 V47.CG2,HG2#; P44.HG2 >> 543 66 5.0265 0.8165 41.5816 +3.69e+07 V47.CG2,HG2#; V47.HA >> 1581 66 1.5119 0.8123 41.5681 +4.93e+07 V47.CG2,HG2#; L49.HG >> 545 67 4.5930 0.8217 41.5322 +1.40e+07 V47.CG2,HG2#; I76.HA >> 1256 67 1.2377 4.3856 41.5281 +8.92e+07 T114.CA,HA; T114.HG2# >> 145 67 4.1488 1.2353 41.5256 +2.95e+08 T15.CG2,HG2#; T15.HB >> 1196 67 4.2393 1.2412 41.5151 +4.33e+08 T106.CG2,HG2#; T106.HB >> 1873 67 4.3508 1.3010 41.4542 +9.17e+08 T110.CG2,HG2#; T110.HB >> 1332 68 0.9495 5.0900 41.3962 +3.31e+07 V28.CA,HA; V28.HG2# >> 12 69 0.7188 1.5269 41.2049 +1.92e+07 I4.CB,HB; L48.HD1# >> 481 69 4.4168 1.2136 41.1865 +4.88e+08 T43.CG2,HG2#; T43.HB >> 85 69 3.3633 0.6638 41.1806 +1.28e+07 V7.CG2,HG2#; G34.HA2 >> 480 69 3.8844 1.2149 41.1667 +1.76e+08 T43.CG2,HG2#; T43.HA >> 11 69 0.5966 1.5299 41.1199 +3.33e+07 I4.CB,HB; I4.HG2# >> 78 69 5.0733 0.6459 41.1083 +4.41e+07 V7.CG2,HG2#; V7.HA >> 93 70 0.7988 0.6447 41.0967 +2.44e+08 V7.CG2,HG2#; L39.HD1# >> 92 70 0.9763 0.6448 41.0960 +7.86e+07 V7.CG2,HG2#; V5.HG1# >> 1310 70 0.9332 1.5207 41.0916 +2.59e+07 I4.CB,HB; I4.HG11 >> 87 70 1.9167 0.6453 41.0821 +4.10e+07 V7.CG2,HG2#; V7.HB >> 88 70 1.7288 0.6441 41.0618 +4.20e+07 V7.CG2,HG2#; L31.HB2 >> 10 70 0.1380 1.5233 41.0509 +1.75e+07 I4.CB,HB; I4.HD1# >> 96 70 0.2634 0.6465 41.0402 +1.75e+07 V7.CG2,HG2#; L6.HD1# >> 1504 70 1.7163 0.8662 40.9512 +8.21e+07 V36.CG1,HG1#; R68.HG1|HG2 >> 1503 70 2.2888 0.8681 40.9502 +8.80e+07 V36.CG1,HG1#; Q64.HB1 >> 1501 71 3.1451 0.8658 40.9319 +5.90e+07 V36.CG1,HG1#; R68.HD1|HD2 >> 1318 71 -0.0081 5.0765 40.9282 +2.42e+07 V7.CA,HA; V7.HG1# >> 395 71 2.0433 0.8674 40.9253 +2.90e+08 V36.CG1,HG1#; V36.HB >> 237 71 4.2802 1.1477 40.9141 +1.11e+08 T22.CG2,HG2#; T22.HB >> 379 71 3.4883 0.8673 40.9121 +8.85e+07 V36.CG1,HG1#; V36.HA >> 1500 71 3.9496 0.8686 40.8970 +9.60e+07 V36.CG1,HG1#; E37.HA >> 238 71 4.6977 1.1464 40.8874 +8.89e+07 T22.CG2,HG2#; T22.HA >> 1499 71 4.3094 0.8669 40.8869 +1.96e+07 V36.CG1,HG1#; E35.HA >> 1502 71 2.4544 0.8703 40.8814 +3.33e+07 V36.CG1,HG1#; Q64.HG2 >> 239 71 4.0270 1.1466 40.8361 +2.51e+07 T22.CG2,HG2#; T23.HA >> 1879 71 0.7117 4.6049 40.8320 +2.63e+07 I76.CA,HA; I76.HG2# >> 478 72 1.2120 3.8758 40.7818 +7.26e+07 T43.CA,HA; T43.HG2# >> 1319 72 0.6521 5.0736 40.7784 +2.16e+07 V7.CA,HA; V7.HG2# >> 474 72 4.4212 3.8786 40.7597 +5.86e+07 T43.CA,HA; T43.HB >> 1693 72 1.9106 4.8346 40.6609 +1.17e+07 T70.CA,HA; P71.HG1 >> 1018 72 0.4576 1.8632 40.6401 +1.60e+07 I92.CB,HB; I92.HD1# >> 1025 72 1.0501 1.8678 40.6383 +2.36e+07 I92.CB,HB; I92.HG2# >> 1553 72 3.4546 3.8817 40.6316 +1.37e+07 T43.CA,HA; P44.HD2 >> 1274 73 0.7380 4.5188 40.6266 +7.16e+07 V32.CA,HA; V32.HG2# >> 338 73 2.3575 4.5216 40.5961 +4.73e+07 V32.CA,HA; V32.HB >> 788 73 1.3547 4.8338 40.5423 +5.16e+07 T70.CA,HA; T70.HG2# >> 110 74 2.4935 4.1504 40.4121 +2.15e+07 E11.CA,HA; E11.HG1 >> 111 74 2.2470 4.1519 40.4077 +4.17e+07 E11.CA,HA; E11.HB1|HB2 >> 1179 74 1.0129 0.3149 40.3944 +3.42e+07 V105.CG2,HG2#; A46.HB# >> 1799 74 0.8410 4.0639 40.3737 +2.08e+07 I96.CA,HA; L94.HD2# >> 1175 74 1.9576 0.3187 40.3341 +2.71e+07 V105.CG2,HG2#; L109.HG >> 86 75 1.9216 -0.0051 40.3024 +3.88e+07 V7.CG1,HG1#; V7.HB >> 1176 75 1.5601 0.3165 40.3023 +1.10e+08 V105.CG2,HG2#; V105.HB >> 1055 75 0.4192 4.0517 40.3022 +6.22e+07 I96.CA,HA; I96.HG2# >> 1852 75 0.5771 0.3188 40.2991 +6.93e+07 V105.CG2,HG2#; L21.HD1# >> 1898 75 1.7254 -0.0073 40.2985 +1.58e+07 V7.CG1,HG1#; L31.HB2 >> 787 75 3.8913 4.8365 40.2942 +1.49e+07 T70.CA,HA; P71.HD1|HD2 >> 1180 75 0.7262 0.3156 40.2921 +1.89e+08 V105.CG2,HG2#; L48.HD1# >> 834 75 3.7859 1.6313 40.2904 +1.65e+07 I76.CB,HB; V88.HA >> 1053 75 1.0605 4.0564 40.2903 +2.63e+07 I96.CA,HA; I96.HG11|HG12 >> 1177 75 1.2448 0.3172 40.2897 +4.66e+07 V105.CG2,HG2#; T106.HG2# >> 1173 75 3.7594 0.3210 40.2854 +2.57e+07 V105.CG2,HG2#; T106.HA >> 1333 75 0.9007 5.1343 40.2844 +3.00e+07 I29.CA,HA; I29.HD1# >> 1183 75 0.1437 0.3169 40.2823 +8.05e+07 V105.CG2,HG2#; I4.HD1# >> 1051 75 1.6614 4.0473 40.2805 +3.12e+07 I96.CA,HA; I96.HB >> 79 75 5.0702 -0.0080 40.2791 +4.60e+07 V7.CG1,HG1#; V7.HA >> 1172 75 3.6177 0.3102 40.2695 +1.92e+07 V105.CG2,HG2#; L102.HA >> 1171 75 3.2307 0.3168 40.2637 +8.01e+07 V105.CG2,HG2#; V105.HA >> 1381 75 0.7779 -0.0051 40.2559 +1.07e+08 V7.CG1,HG1#; L39.HD2# >> 1895 75 4.8817 -0.0092 40.2530 +1.28e+07 V7.CG1,HG1#; L49.HA >> 1182 75 0.8712 0.3200 40.2482 +3.91e+07 V105.CG2,HG2#; L48.HD2# >> 1897 75 3.9811 -0.0080 40.2431 +1.71e+07 V7.CG1,HG1#; G34.HA1 >> 1380 75 0.2533 -0.0106 40.2426 +6.50e+07 V7.CG1,HG1#; L6.HD1# >> 84 75 3.3826 -0.0065 40.2287 +1.68e+07 V7.CG1,HG1#; G34.HA2 >> 1378 75 4.5272 -0.0109 40.2239 +1.32e+07 V7.CG1,HG1#; V32.HA >> 1896 75 4.7378 -0.0042 40.2160 +1.66e+07 V7.CG1,HG1#; S8.HA >> 1446 76 3.7392 1.6948 40.1023 +1.56e+07 A24.CB,HB#; I20.HA >> 1636 76 2.0673 -0.0922 40.0833 +2.77e+07 V58.CG1,HG1#; V62.HB >> 1633 76 3.7861 -0.0918 40.0693 +3.16e+07 V58.CG1,HG1#; Q59.HA >> 659 76 1.1907 -0.0915 40.0540 +1.86e+08 V58.CG1,HG1#; V58.HB >> 1637 76 1.5971 -0.0805 40.0332 +3.07e+07 V58.CG1,HG1#; L49.HB2 >> 1444 76 4.2468 1.6946 40.0227 +4.54e+07 A24.CB,HB#; L21.HA >> 653 76 3.3203 -0.0905 40.0067 +8.00e+07 V58.CG1,HG1#; V58.HA >> 1638 77 0.6594 -0.0897 39.9937 +2.57e+08 V58.CG1,HG1#; I78.HD1# >> 1450 77 0.7174 1.6926 39.9911 +2.62e+07 A24.CB,HB#; L21.HD2# >> 257 77 4.4080 1.6959 39.9904 +2.10e+08 A24.CB,HB#; A24.HA >> 1449 77 0.8905 1.6943 39.9802 +1.90e+08 A24.CB,HB#; L102.HD2# >> 1451 77 0.5738 1.6937 39.9706 +5.11e+07 A24.CB,HB#; L21.HD1# >> 1448 77 1.0929 1.7001 39.9669 +3.18e+07 A24.CB,HB#; I20.HG2# >> 1892 77 4.9027 0.7551 39.9546 +1.56e+07 V32.CG1,HG1#; E9.HA >> 269 77 0.9648 1.6949 39.9250 +1.81e+08 A24.CB,HB#; L102.HD1# >> 663 77 2.9117 -0.0822 39.9192 +1.62e+07 V58.CG1,HG1#; Y85.HB1 >> 344 77 4.5216 0.7678 39.8919 +4.29e+07 V32.CG1,HG1#; V32.HA >> 346 77 2.3561 0.7708 39.8626 +1.35e+08 V32.CG1,HG1#; V32.HB >> 1935 77 4.7767 0.7649 39.8600 +1.65e+07 V32.CG1,HG1#; L31.HA >> 1312 78 0.9862 5.4063 39.8264 +2.50e+07 V5.CA,HA; V5.HG2# >> 1052 78 2.0652 4.1598 39.7687 +1.50e+08 E99.CA,HA; E99.HB1 >> 1940 78 1.7106 3.9417 39.7666 +1.64e+07 E37.CA,HA; L40.HG >> 319 78 1.5402 0.8849 39.7665 +3.57e+07 I29.CG2,HG2#; I29.HG12 >> 1513 78 0.8206 3.9358 39.7612 +4.50e+07 E37.CA,HA; L40.HD2# >> 1876 78 1.7288 0.8857 39.7590 +2.02e+07 I29.CG2,HG2#; L31.HG >> 1094 78 2.3393 4.1602 39.7580 +1.15e+08 E99.CA,HA; E99.HG1|HG2 >> 403 78 1.9962 3.9357 39.7547 +6.77e+07 E37.CA,HA; E37.HB1 >> 1100 78 4.1092 4.5869 39.7533 +7.33e+07 S100.CA,HA; S100.HB1 >> 316 78 5.1250 0.8864 39.7494 +3.49e+07 I29.CG2,HG2#; I29.HA >> 320 78 1.3208 0.8865 39.7472 +3.64e+07 I29.CG2,HG2#; I29.HG11 >> 1364 78 0.8596 5.4131 39.7467 +1.11e+07 V5.CA,HA; L31.HD2# >> 321 78 1.9036 0.8822 39.7337 +3.95e+07 I29.CG2,HG2#; I29.HB >> 1822 78 2.1887 4.5912 39.7287 +3.70e+07 S100.CA,HA; Q103.HB1|HB2 >> 1099 78 3.9330 4.5918 39.7186 +7.77e+07 S100.CA,HA; S100.HB2 >> 1931 78 4.7864 0.8810 39.7162 +1.21e+07 I29.CG2,HG2#; L31.HA >> 1145 78 2.2567 3.9374 39.7137 +5.08e+07 E37.CA,HA; E37.HG1 >> 416 79 1.8276 3.7343 39.6746 +2.61e+07 L39.CA,HA; L39.HB1 >> 417 79 1.6971 3.7347 39.6702 +2.70e+07 L39.CA,HA; L39.HG >> 1821 79 2.3959 4.6008 39.6534 +2.00e+07 S100.CA,HA; Q103.HG1 >> 420 79 0.7816 3.7317 39.6493 +4.82e+07 L39.CA,HA; L39.HD1# >> 419 79 0.9496 3.7282 39.6182 +2.33e+07 L39.CA,HA; V5.HG2# >> 6 79 0.8485 4.6785 39.6102 +1.08e+07 I4.CA,HA; V47.HG1# >> 1926 79 1.5478 1.8896 39.5797 +1.04e+07 I29.CB,HB; I29.HG12 >> 1335 79 0.8306 5.0230 39.5506 +2.31e+07 V47.CA,HA; V47.HG2# >> 1282 80 1.4468 3.7349 39.5036 +3.08e+07 L39.CA,HA; L39.HB2 >> 1111 80 3.9136 3.3940 39.4553 +1.46e+07 F101.CB,HB1; S100.HB2 >> 1308 81 0.5856 4.6703 39.3669 +1.98e+07 I4.CA,HA; I4.HG2# >> 5 81 0.9772 4.6807 39.3669 +1.13e+07 I4.CA,HA; V5.HG2# >> 1309 81 0.1191 4.6769 39.3542 +1.09e+07 I4.CA,HA; I4.HD1# >> 682 81 2.0832 4.1021 39.3541 +7.92e+07 E60.CA,HA; E60.HB1|HB2 >> 1673 81 0.8581 3.9573 39.3477 +3.00e+07 Q64.CA,HA; V36.HG1# >> 1254 81 4.4159 1.4344 39.3465 +4.89e+08 A113.CB,HB#; A113.HA >> 683 81 2.3781 4.1038 39.3410 +4.80e+07 E60.CA,HA; E60.HG1 >> 1645 81 2.9048 4.1015 39.3186 +2.64e+07 E60.CA,HA; D63.HB1 >> 737 81 2.0649 3.9556 39.3101 +4.65e+07 Q64.CA,HA; Q64.HB2 >> 681 81 2.2657 4.0988 39.2791 +4.28e+07 E60.CA,HA; E60.HG2 >> 1839 81 2.0728 3.8878 39.2765 +3.70e+07 Q104.CA,HA; Q104.HB1 >> 1834 81 4.2280 3.9884 39.2290 +3.86e+07 Q103.CA,HA; T106.HB >> 736 82 2.7107 3.9676 39.2038 +2.92e+07 Q64.CA,HA; Q64.HG1 >> 1837 82 2.5973 3.8773 39.2036 +2.77e+07 Q104.CA,HA; Q104.HG1 >> 1833 82 1.2490 3.9832 39.2025 +2.30e+07 Q103.CA,HA; T106.HG2# >> 1132 82 2.1875 3.9875 39.2002 +1.13e+08 Q103.CA,HA; Q103.HB1|HB2 >> 411 82 1.6620 3.8763 39.1996 +1.65e+07 R38.CA,HA; R38.HB2 >> 1646 82 2.5809 4.1041 39.1653 +1.64e+07 E60.CA,HA; D63.HB2 >> 1941 82 1.4859 3.8734 39.1627 +4.32e+07 R38.CA,HA; A41.HB# >> 1838 82 2.4311 3.8914 39.1502 +3.92e+07 Q104.CA,HA; Q104.HG2 >> 1840 82 1.8647 3.8763 39.1357 +2.97e+07 Q104.CA,HA; Q104.HB2 >> 1721 83 0.6931 1.7537 39.0395 +2.29e+07 I20.CB,HB; I20.HD1# >> 1720 83 0.4762 1.7567 38.9125 +1.98e+07 I78.CB,HB; V88.HG1# >> 627 84 3.6992 4.3494 38.8899 +7.35e+07 S54.CA,HA; S54.HB2 >> 628 84 4.0361 4.3516 38.8633 +7.72e+07 S54.CA,HA; S54.HB1 >> 902 84 3.9181 4.4154 38.8018 +2.04e+08 S81.CA,HA; S81.HB1|HB2 >> 1749 84 3.5801 4.4171 38.7767 +1.36e+07 S81.CA,HA; K82.HA >> 1718 85 1.2038 1.7548 38.7211 +3.02e+07 I78.CB,HB; I78.HG2# >> 802 85 2.2478 4.0479 38.6684 +8.28e+07 E72.CA,HA; E72.HG1 >> 1556 85 0.7560 2.1435 38.6525 +1.81e+07 I45.CB,HB; L109.HD2# >> 803 85 1.9820 4.0473 38.6523 +8.00e+07 E72.CA,HA; E72.HB1 >> 492 85 4.6735 2.1397 38.6240 +3.60e+07 I45.CB,HB; I45.HA >> 691 85 1.6947 4.0455 38.6167 +2.74e+07 L61.CA,HA; L61.HB1 >> 927 85 4.8127 2.6661 38.6117 +2.24e+07 N84.CB,HB1; N84.HA >> 493 86 1.3844 2.1442 38.5783 +1.33e+07 I45.CB,HB; I45.HG11|HG12 >> 495 86 1.0258 2.1327 38.5690 +4.56e+07 I45.CB,HB; I45.HD1# >> 494 86 1.1791 2.1367 38.5595 +1.07e+08 I45.CB,HB; I45.HG2# >> 500 86 3.9905 1.1778 38.5429 +3.85e+07 I45.CG2,HG2#; G2.HA2 >> 1201 86 1.2889 4.2123 38.5419 +2.62e+07 M107.CA,HA; T110.HG2# >> 1647 86 0.9903 4.0499 38.5369 +1.90e+07 L61.CA,HA; V36.HG2# >> 928 86 4.8133 2.4679 38.5247 +3.45e+07 N84.CB,HB2; N84.HA >> 504 86 2.1300 1.1780 38.5198 +1.96e+08 I45.CG2,HG2#; I45.HB >> 1198 86 2.7288 4.2062 38.5184 +3.10e+07 M107.CA,HA; M107.HG1 >> 497 86 4.6666 1.1797 38.5157 +1.89e+08 I45.CG2,HG2#; I45.HA >> 1200 86 2.0432 4.2025 38.5114 +5.18e+07 M107.CA,HA; M107.HB2 >> 510 86 1.0323 1.1794 38.5075 +3.50e+08 I45.CG2,HG2#; I45.HD1# >> 1874 86 3.9397 4.4920 38.4991 +5.69e+08 S111.CA,HA; S111.HB2 >> 1346 86 1.1927 5.0574 38.4943 +1.70e+07 I78.CA,HA; I78.HG2# >> 1567 86 0.7584 1.1777 38.4915 +7.02e+07 I45.CG2,HG2#; L109.HD2# >> 519 86 0.1342 1.1819 38.4681 +2.41e+07 I45.CG2,HG2#; I4.HD1# >> 1338 87 0.8366 4.0422 38.4305 +6.74e+07 L61.CA,HA; L61.HD2# >> 1199 87 2.5775 4.2088 38.4215 +4.68e+07 M107.CA,HA; M107.HG2 >> 854 87 0.4791 5.0430 38.3973 +1.20e+07 I78.CA,HA; V88.HG1# >> 689 87 2.7220 4.0602 38.3685 +1.35e+07 L61.CA,HA; Q64.HG1 >> 1345 87 0.6577 5.0446 38.3669 +1.97e+07 I78.CA,HA; I78.HD1# >> 126 87 1.0490 1.4913 38.3001 +3.54e+07 A12.CB,HB#; T13.HG2# >> 1341 87 0.7670 3.9726 38.2950 +7.00e+07 L65.CA,HA; L65.HD1# >> 1325 88 0.8589 4.1015 38.2021 +7.95e+07 L16.CA,HA; L16.HD1# >> 123 88 4.1110 1.4949 38.1600 +4.74e+08 A12.CB,HB#; A12.HA >> 1546 89 0.9067 1.4969 38.1275 +4.84e+07 A41.CB,HB#; L42.HD1# >> 1643 89 2.0741 3.8198 38.1163 +1.80e+07 Q59.CA,HA; V62.HB >> 1906 89 2.2516 1.4986 38.0888 +3.02e+07 A12.CB,HB#; E11.HB1|HB2 >> 677 89 0.7170 3.8111 38.0556 +1.84e+07 Q59.CA,HA; V62.HG2# >> 1644 89 0.9033 3.8133 38.0366 +1.32e+07 Q59.CA,HA; V62.HG1# >> 988 89 1.3698 4.6274 38.0349 +1.19e+07 I92.CA,HA; I92.HG11 >> 1422 89 1.5026 1.0913 38.0348 +5.54e+07 I20.CG2,HG2#; L102.HB2 >> 1456 89 1.9910 4.6546 38.0319 +1.24e+07 Y26.CA,HA; Q27.HB1 >> 206 89 2.1932 1.0944 38.0242 +1.59e+07 I20.CG2,HG2#; P98.HB1 >> 211 89 0.4289 1.0922 38.0082 +9.24e+07 I20.CG2,HG2#; I17.HD1# >> 1420 89 4.2563 1.0929 38.0082 +2.05e+07 I20.CG2,HG2#; L21.HA >> 1425 89 0.8751 1.0916 38.0038 +1.27e+08 I20.CG2,HG2#; L102.HD2# >> 212 89 0.2269 1.0935 37.9953 +3.40e+07 I20.CG2,HG2#; I96.HD1# >> 202 89 3.7144 1.0921 37.9891 +8.06e+07 I20.CG2,HG2#; I20.HA >> 205 89 1.7512 1.0922 37.9880 +1.02e+08 I20.CG2,HG2#; I20.HB >> 210 89 0.7004 1.0925 37.9845 +1.86e+08 I20.CG2,HG2#; I20.HD1# >> 1542 90 3.7163 1.4959 37.9668 +2.89e+07 A12.CB,HB#; T13.HA >> 1923 90 0.1601 4.6409 37.9492 +1.23e+07 Y26.CA,HA; I4.HD1# >> 989 90 1.0360 4.6200 37.9463 +2.09e+07 I92.CA,HA; I92.HG2# >> 1112 90 1.8391 3.6207 37.9306 +1.90e+07 L102.CA,HA; L102.HB1 >> 1541 90 3.8823 1.4830 37.9210 +7.26e+07 A41.CB,HB#; R38.HA >> 1945 90 0.7714 1.4889 37.9197 +6.24e+07 A41.CB,HB#; L42.HD2# >> 1829 90 0.0086 3.6458 37.8956 +1.47e+07 L102.CA,HA; V105.HG1# >> 1943 90 1.8770 1.4748 37.8956 +2.65e+07 A41.CB,HB#; R38.HB1 >> 1114 90 0.8728 3.6342 37.8821 +4.94e+07 L102.CA,HA; L102.HD2# >> 757 90 2.4556 4.1541 37.8741 +5.55e+07 Q67.CA,HA; Q67.HG1 >> 1421 90 3.9497 1.0902 37.8646 +1.83e+07 I20.CG2,HG2#; P98.HA >> 1830 90 0.4584 3.6400 37.8546 +1.21e+07 L102.CA,HA; I92.HD1# >> 2024 90 1.5633 3.6403 37.8161 +2.41e+07 L102.CA,HA; V105.HB >> 756 91 2.1568 4.1454 37.8091 +9.86e+07 Q67.CA,HA; Q67.HB1|HB2 >> 272 91 2.9134 4.6310 37.7935 +1.69e+07 Y26.CA,HA; Y26.HB1 >> 758 91 2.5905 4.1459 37.7626 +4.11e+07 Q67.CA,HA; Q67.HG2 >> 169 91 3.3660 0.7287 37.7240 +1.59e+07 I17.CG2,HG2#; S14.HA >> 1057 91 4.0509 1.6692 37.7142 +2.73e+07 I96.CB,HB; I96.HA >> 1059 91 1.0577 1.6631 37.7119 +5.58e+07 I96.CB,HB; I96.HG11|HG12 >> 166 91 3.1090 0.7293 37.7045 +3.62e+07 I17.CG2,HG2#; I17.HA >> 1427 91 1.7040 4.2474 37.7025 +1.84e+07 L21.CA,HA; A24.HB# >> 175 91 1.0447 0.7253 37.6990 +4.00e+07 I17.CG2,HG2#; T13.HG2# >> 1671 91 2.1414 4.2698 37.6962 +1.48e+07 D63.CA,HA; R66.HB1 >> 178 91 0.2329 0.7284 37.6878 +1.06e+08 I17.CG2,HG2#; L6.HD1# >> 732 91 2.9185 4.2691 37.6856 +1.66e+07 D63.CA,HA; D63.HB1 >> 173 91 1.5997 0.7269 37.6744 +5.76e+07 I17.CG2,HG2#; I17.HB >> 1713 91 0.4113 0.7285 37.6690 +1.40e+08 I17.CG2,HG2#; I17.HD1# >> 1404 92 1.9369 0.7252 37.6582 +1.83e+07 I17.CG2,HG2#; L21.HB1 >> 1426 92 0.7139 4.2393 37.6480 +1.32e+07 L21.CA,HA; L21.HD2# >> 1672 92 0.9113 4.2677 37.6419 +1.79e+07 D63.CA,HA; V62.HG1# >> 1062 92 0.2197 1.6560 37.6308 +3.76e+07 I96.CB,HB; I96.HD1# >> 1061 92 0.4159 1.6621 37.6281 +1.13e+08 I96.CB,HB; I96.HG2# >> 733 92 2.5838 4.2760 37.6236 +2.73e+07 D63.CA,HA; D63.HB2 >> 1813 92 3.4129 0.4189 37.6098 +2.33e+07 I96.CG2,HG2#; F101.HB1 >> 1330 92 0.5742 4.2308 37.6084 +2.43e+07 L21.CA,HA; L21.HD1# >> 635 92 0.2438 3.2231 37.5876 +8.94e+06 Y55.CB,HB1; V58.HG2# >> 845 92 0.4441 0.6821 37.5812 +8.86e+07 I76.CG2,HG2#; V88.HG1# >> 1079 92 1.6635 0.4157 37.5740 +1.49e+08 I96.CG2,HG2#; I96.HB >> 1714 92 0.2293 0.6757 37.5665 +3.09e+07 I76.CG2,HG2#; V58.HG2# >> 1075 92 4.0512 0.4176 37.5663 +8.18e+07 I96.CG2,HG2#; I96.HA >> 1081 92 1.0586 0.4158 37.5634 +1.82e+08 I96.CG2,HG2#; I96.HG11|HG12 >> 1807 92 0.8289 0.4139 37.5597 +1.69e+08 I96.CG2,HG2#; L94.HD2# >> 1710 92 3.7956 0.6765 37.5564 +3.88e+07 I76.CG2,HG2#; V88.HA >> 1086 92 0.2156 0.4164 37.5534 +2.00e+08 I96.CG2,HG2#; I96.HD1# >> 841 92 4.6196 0.6723 37.5506 +3.13e+07 I76.CG2,HG2#; I76.HA >> 1752 92 0.7341 4.6296 37.5322 +1.72e+07 Y85.CA,HA; V88.HG2# >> 1812 92 4.2855 0.4110 37.5302 +2.01e+07 I96.CG2,HG2#; L94.HA >> 1711 92 1.6316 0.6827 37.5270 +6.33e+07 I76.CG2,HG2#; I76.HB >> 1712 93 1.2760 0.6886 37.4835 +1.96e+07 I76.CG2,HG2#; I78.HG12 >> 1260 93 3.3550 4.7835 37.4185 +1.31e+07 S8.CA,HA; S8.HB2 >> 101 93 0.2514 4.7759 37.3744 +2.80e+07 S8.CA,HA; L6.HD1# >> 782 94 2.7750 5.0094 37.2436 +2.68e+07 C69.CA,HA; C69.HB1 >> 1259 94 3.8776 4.7691 37.2349 +1.10e+07 S8.CA,HA; S8.HB1 >> 781 94 2.5184 5.0156 37.2311 +1.99e+07 C69.CA,HA; C69.HB2 >> 100 94 1.4608 4.7771 37.2212 +2.34e+07 S8.CA,HA; A50.HB# >> 1359 94 1.8228 0.5909 37.2203 +1.83e+07 I4.CG2,HG2#; V5.HB >> 1691 94 0.6548 5.0088 37.2187 +1.27e+07 C69.CA,HA; L74.HD2# >> 1690 94 1.3514 5.0144 37.2018 +2.22e+07 C69.CA,HA; T70.HG2# >> 904 95 2.9365 3.5966 37.1732 +1.01e+07 K82.CA,HA; K82.HE1|HE2 >> 806 95 4.0386 2.2491 37.1364 +2.50e+07 E72.CG,HG1; E72.HA >> 1981 95 2.3776 5.0176 37.1268 +1.12e+07 C69.CA,HA; Q73.HG1|HG2 >> 1689 95 2.0412 5.0049 37.1262 +1.40e+07 C69.CA,HA; Q73.HB2 >> 905 95 1.1706 3.5826 37.1232 +7.83e+07 K82.CA,HA; K82.HG1|HG2 >> 907 95 1.5671 3.5841 37.1219 +1.02e+08 K82.CA,HA; K82.HB2 >> 368 95 4.3050 2.2715 37.1165 +1.32e+07 E35.CG,HG1; E35.HA >> 906 95 1.6587 3.5842 37.1059 +6.87e+07 K82.CA,HA; K82.HB1 >> 1361 95 0.7194 0.5860 37.1057 +2.62e+08 I4.CG2,HG2#; I17.HG2# >> 34 95 4.6663 0.5879 37.0970 +4.71e+07 I4.CG2,HG2#; I4.HA >> 38 95 1.5431 0.5857 37.0851 +8.49e+07 I4.CG2,HG2#; I4.HB >> 39 95 1.3063 0.5853 37.0793 +4.38e+07 I4.CG2,HG2#; I4.HG12 >> 43 95 0.1340 0.5862 37.0761 +1.78e+08 I4.CG2,HG2#; I4.HD1# >> 1360 95 0.9995 0.5867 37.0709 +1.15e+08 I4.CG2,HG2#; A46.HB# >> 982 95 2.9073 5.3284 37.0527 +1.40e+07 Y91.CA,HA; Y91.HB2 >> 1362 95 0.3054 0.5835 37.0380 +2.20e+07 I4.CG2,HG2#; V105.HG2# >> 1770 96 1.1810 5.3223 37.0132 +1.22e+07 Y91.CA,HA; I78.HG2# >> 1733 96 1.5808 1.1974 37.0053 +2.86e+07 I78.CG2,HG2#; L49.HB2 >> 855 96 5.0479 1.1932 37.0042 +3.48e+07 I78.CG2,HG2#; I78.HA >> 1734 96 0.8357 1.2001 37.0009 +2.01e+07 I78.CG2,HG2#; L79.HD1#|HD2# >> 438 96 0.7755 3.9341 36.9994 +1.04e+08 L40.CA,HA; L40.HD1# >> 866 96 0.6432 1.1952 36.9972 +1.89e+08 I78.CG2,HG2#; I78.HD1# >> 436 96 1.4356 3.9209 36.9914 +1.71e+07 L40.CA,HA; L40.HB2 >> 1736 96 0.2047 1.1953 36.9907 +9.16e+07 I78.CG2,HG2#; V58.HG2# >> 879 96 1.3412 1.1974 36.9834 +4.11e+07 I78.CG2,HG2#; I78.HG11 >> 878 96 1.7477 1.1943 36.9788 +6.82e+07 I78.CG2,HG2#; I78.HB >> 1735 96 0.4879 1.1959 36.9700 +1.27e+08 I78.CG2,HG2#; V88.HG1# >> 1729 96 5.3250 1.1937 36.9552 +2.09e+07 I78.CG2,HG2#; Y91.HA >> 1771 96 0.4656 5.3246 36.9465 +2.41e+07 Y91.CA,HA; I92.HD1# >> 1730 96 4.4766 1.1890 36.9363 +1.28e+07 I78.CG2,HG2#; G80.HA1 >> 1737 96 -0.0997 1.1883 36.9009 +1.87e+07 I78.CG2,HG2#; V58.HG1# >> 1097 96 2.0642 2.3419 36.8932 +2.75e+08 E99.CG,HG1|HG2; E99.HB1 >> 437 97 1.7460 3.9236 36.8418 +2.04e+07 L40.CA,HA; L40.HB1 >> 1783 97 2.4436 1.0551 36.8276 +1.34e+07 I92.CG2,HG2#; Q104.HG2 >> 1011 97 1.6062 1.0597 36.7980 +3.20e+07 I92.CG2,HG2#; L79.HB1|HB2 >> 997 97 3.8156 1.0572 36.7895 +4.02e+07 I92.CG2,HG2#; P93.HD1|HD2 >> 992 97 4.6191 1.0562 36.7824 +5.13e+07 I92.CG2,HG2#; I92.HA >> 1021 97 0.2246 1.0532 36.7810 +5.16e+07 I92.CG2,HG2#; I96.HD1# >> 995 97 4.2550 1.0558 36.7769 +1.37e+07 I92.CG2,HG2#; F101.HA >> 1013 97 0.8408 1.0550 36.7704 +1.12e+08 I92.CG2,HG2#; L79.HD1#|HD2# >> 1012 97 1.3684 1.0621 36.7564 +3.65e+07 I92.CG2,HG2#; I92.HG11 >> 1785 97 0.0055 1.0526 36.7430 +1.90e+07 I92.CG2,HG2#; V105.HG1# >> 1006 97 1.8763 1.0539 36.7326 +7.29e+07 I92.CG2,HG2#; I92.HB >> 809 98 2.3630 4.2552 36.6822 +6.24e+07 Q73.CA,HA; E72.HG2 >> 1016 98 0.7071 1.0525 36.6531 +3.43e+07 I92.CG2,HG2#; L48.HD1# >> 1681 99 3.9669 4.4807 36.5000 +1.07e+07 R68.CA,HA; L65.HA >> 1753 99 1.7140 4.4763 36.4875 +7.40e+07 R68.CA,HA; R68.HG1|HG2 >> 1682 99 0.7776 4.4719 36.4345 +2.08e+07 R68.CA,HA; L40.HD2# >> 767 99 3.1438 4.4750 36.4290 +6.56e+07 R68.CA,HA; R68.HD1|HD2 >> 769 99 1.7140 4.4763 36.4158 +7.40e+07 R68.CA,HA; R68.HG1|HG2 >> 408 100 0.8788 2.2296 36.3671 +1.46e+07 E37.CG,HG1; V36.HG1# >> 751 100 3.3931 4.5588 36.3553 +1.80e+07 R66.CA,HA; R66.HD1 >> 365 100 2.2575 4.2966 36.3302 +3.54e+07 E35.CA,HA; E35.HG1 >> 406 100 3.9255 2.2382 36.3222 +1.87e+07 E37.CG,HG1; E37.HA >> 105 100 0.7297 4.8885 36.3203 +3.50e+07 E9.CA,HA; V32.HG2# >> 1495 100 0.7901 4.3043 36.3154 +2.36e+07 E35.CA,HA; L61.HD1# >> 407 100 0.8615 2.3074 36.2955 +1.90e+07 E37.CG,HG2; V36.HG1# >> 366 100 1.8748 4.2993 36.2934 +4.51e+07 E35.CA,HA; E35.HB2 >> 115 100 4.1468 2.4843 36.2878 +1.15e+07 E11.CG,HG1; E11.HA >> 104 100 2.3802 4.8939 36.2674 +7.85e+07 E9.CA,HA; E9.HB1 >> 103 101 2.1051 4.9064 36.1996 +3.08e+07 E9.CA,HA; E9.HB2 >> 102 101 4.5199 4.9053 36.1941 +1.04e+07 E9.CA,HA; V32.HA >> 752 101 3.2686 4.5790 36.1716 +1.15e+07 R66.CA,HA; R66.HD2 >> 1616 101 2.3162 3.7535 36.1678 +1.18e+08 E51.CA,HA; E51.HG1|HG2 >> 1615 101 1.9925 3.7530 36.1675 +1.56e+08 E51.CA,HA; E51.HB1|HB2 >> 1214 101 0.7690 4.3772 36.1662 +7.12e+07 L109.CA,HA; L109.HD2# >> 1614 101 3.7555 2.3204 36.1332 +4.10e+07 E51.CG,HG1|HG2; E51.HA >> 1351 101 1.9662 4.3733 36.1308 +2.84e+07 L109.CA,HA; L109.HB1 >> 1980 102 2.4010 4.4910 36.0187 +9.48e+07 Q86.CA,HA; Q86.HG1|HG2 >> 939 102 2.0842 4.4884 36.0164 +9.14e+07 Q86.CA,HA; Q86.HB2 >> 938 103 2.4007 4.4913 35.8897 +1.04e+08 Q86.CA,HA; Q86.HG1|HG2 >> 120 104 1.4981 4.1043 35.7131 +1.67e+08 A12.CA,HA; A12.HB# >> 1621 105 2.4187 4.7718 35.6227 +1.01e+07 Y55.CA,HA; E9.HG1|HG2 >> 632 105 3.1985 4.7681 35.6159 +2.98e+07 Y55.CA,HA; Y55.HB1 >> 1 105 0.8886 5.3341 35.6144 +9.67e+06 R3.CA,HA; I4.HG11 >> 631 105 2.9193 4.7649 35.5265 +2.67e+07 Y55.CA,HA; Y55.HB2 >> 1617 106 0.2434 4.6465 35.4340 +1.99e+07 F53.CA,HA; V58.HG2# >> 1295 106 2.3533 4.4180 35.3937 +1.27e+07 L112.CA,HA; E72.HG2 >> 623 106 3.1777 4.6338 35.3588 +1.21e+07 F53.CA,HA; F53.HB1 >> 1575 106 0.6737 1.7587 35.3404 +3.29e+07 V47.CB,HB; I76.HG2# >> 1703 106 3.7933 0.7671 35.3385 +1.88e+07 I76.CD1,HD1#; V88.HA >> 1292 106 4.0340 4.4087 35.3353 +2.33e+07 L112.CA,HA; E72.HA >> 972 106 3.0415 4.5479 35.3260 +2.47e+07 R90.CA,HA; R90.HD1 >> 835 107 4.5939 0.7700 35.2969 +1.47e+07 I76.CD1,HD1#; I76.HA >> 1766 107 1.4287 4.5454 35.2889 +9.49e+07 R90.CA,HA; R90.HB2 >> 1705 107 2.1040 0.7723 35.2885 +1.96e+07 I76.CD1,HD1#; L65.HB1 >> 1767 107 0.4713 4.5324 35.2813 +1.63e+07 R90.CA,HA; V88.HG1# >> 1276 107 0.8294 1.7470 35.2798 +6.46e+07 V47.CB,HB; V47.HG2# >> 1706 107 1.6304 0.7629 35.2588 +4.32e+07 I76.CD1,HD1#; I76.HB >> 622 107 2.9557 4.6299 35.2550 +1.38e+07 F53.CA,HA; F53.HB2 >> 1707 107 1.5230 0.7641 35.2503 +4.12e+07 I76.CD1,HD1#; I76.HG11 >> 1242 107 1.4295 4.4106 35.2411 +3.19e+07 L112.CA,HA; A113.HB# >> 1709 107 0.4530 0.7639 35.2360 +2.32e+07 I76.CD1,HD1#; V88.HG1# >> 971 107 2.8551 4.5507 35.2232 +2.08e+07 R90.CA,HA; Y91.HB1 >> 1708 107 0.9025 0.7648 35.1819 +8.77e+07 I76.CD1,HD1#; V62.HG1# >> 1768 107 2.8675 1.4267 35.1740 +1.22e+07 R90.CB,HB2; R90.HD2 >> 1243 108 0.8923 4.4090 35.1506 +3.17e+08 L112.CA,HA; L112.HD1# >> 1352 108 1.6543 4.4090 35.1435 +4.05e+08 L112.CA,HA; L112.HB1|HB2 >> 1704 108 3.2466 0.7612 35.1084 +2.42e+07 I76.CD1,HD1#; V62.HA >> 1296 108 2.9911 4.4063 35.0308 +2.15e+07 L112.CA,HA; K75.HE2 >> 1477 109 3.2534 0.8967 34.9189 +1.89e+07 I29.CD1,HD1#; R3.HD1 >> 303 109 5.1119 0.8977 34.9124 +3.91e+07 I29.CD1,HD1#; I29.HA >> 1476 109 3.0420 0.8962 34.9121 +2.97e+07 I29.CD1,HD1#; R3.HD2 >> 1560 109 1.9900 1.0380 34.9013 +2.53e+07 I45.CD1,HD1#; L109.HG >> 507 109 1.6671 1.0435 34.8919 +3.49e+07 I45.CD1,HD1#; L109.HB2 >> 1413 109 2.0595 0.6979 34.8903 +2.13e+07 I20.CD1,HD1#; P98.HB2 >> 1563 109 0.1380 1.0356 34.8902 +8.11e+07 I45.CD1,HD1#; I4.HD1# >> 505 109 2.1329 1.0352 34.8877 +1.01e+08 I45.CD1,HD1#; I45.HB >> 1411 109 3.0934 0.6912 34.8871 +2.49e+07 I20.CD1,HD1#; I17.HA >> 1558 109 4.4121 1.0393 34.8844 +1.98e+07 I45.CD1,HD1#; L109.HA >> 513 109 0.7519 1.0346 34.8802 +2.19e+08 I45.CD1,HD1#; L109.HD2# >> 511 109 1.1823 1.0363 34.8752 +2.83e+08 I45.CD1,HD1#; I45.HG2# >> 512 109 1.3676 1.0356 34.8744 +1.97e+08 I45.CD1,HD1#; I45.HG11|HG12 >> 1479 109 0.7469 0.8986 34.8697 +1.37e+08 I29.CD1,HD1#; L42.HD2# >> 1557 109 4.5634 1.0358 34.8675 +7.56e+07 I45.CD1,HD1#; G2.HA1 >> 1415 109 1.3397 0.6946 34.8617 +4.10e+07 I20.CD1,HD1#; L16.HG >> 1416 109 1.0903 0.6961 34.8592 +1.96e+08 I20.CD1,HD1#; I20.HG2# >> 1412 109 2.2066 0.6904 34.8587 +3.17e+07 I20.CD1,HD1#; P98.HB1 >> 1414 109 1.7750 0.6950 34.8575 +8.06e+07 I20.CD1,HD1#; I20.HB >> 1559 109 3.9858 1.0350 34.8575 +5.93e+07 I45.CD1,HD1#; G2.HA2 >> 1478 109 1.9283 0.8981 34.8550 +5.58e+07 I29.CD1,HD1#; I29.HB >> 309 109 1.5477 0.8989 34.8476 +7.65e+07 I29.CD1,HD1#; I29.HG12 >> 1417 109 0.8729 0.7002 34.8470 +1.19e+08 I20.CD1,HD1#; L16.HD1# >> 1418 110 0.2177 0.6980 34.8420 +5.07e+07 I20.CD1,HD1#; I96.HD1# >> 310 110 1.3345 0.8931 34.8385 +7.38e+07 I29.CD1,HD1#; I29.HG11 >> 1419 110 0.4193 0.6980 34.8353 +1.12e+08 I20.CD1,HD1#; I17.HD1# >> 1409 110 3.9593 0.6964 34.8246 +4.62e+07 I20.CD1,HD1#; P98.HA >> 1398 110 3.3752 0.4097 34.8229 +2.04e+07 I17.CD1,HD1#; S14.HA >> 812 110 2.1197 4.4671 34.8210 +1.07e+07 L74.CA,HA; I45.HB >> 190 110 3.7222 0.6977 34.8165 +2.83e+07 I20.CD1,HD1#; I20.HA >> 1911 110 3.3904 0.6927 34.8030 +1.75e+07 I20.CD1,HD1#; F101.HB1 >> 1401 110 1.0411 0.4061 34.7879 +1.42e+08 I17.CD1,HD1#; T13.HG2# >> 172 110 1.3948 0.4041 34.7849 +4.75e+07 I17.CD1,HD1#; I17.HG11 >> 171 110 1.5958 0.4054 34.7835 +6.23e+07 I17.CD1,HD1#; I17.HB >> 1403 110 0.2238 0.4076 34.7823 +1.54e+08 I17.CD1,HD1#; I96.HD1# >> 1400 110 0.7259 0.4066 34.7778 +2.53e+08 I17.CD1,HD1#; I17.HG2# >> 1402 110 0.8402 0.4056 34.7776 +1.96e+08 I17.CD1,HD1#; L79.HD1#|HD2# >> 167 110 3.1052 0.4084 34.7736 +2.22e+07 I17.CD1,HD1#; I17.HA >> 1399 110 3.7083 0.4101 34.7662 +1.92e+07 I17.CD1,HD1#; T13.HA >> 1342 110 0.6633 4.4673 34.7417 +6.40e+07 L74.CA,HA; L74.HD1# >> 1343 110 1.1959 4.4569 34.6933 +1.34e+07 L74.CA,HA; L74.HG >> 1674 112 3.9457 2.7063 34.5234 +1.64e+07 Q64.CG,HG1; Q64.HA >> 462 112 0.7535 4.1022 34.5225 +5.54e+07 L42.CA,HA; L42.HD2# >> 460 112 1.8286 4.1017 34.5131 +1.60e+07 L42.CA,HA; L42.HG >> 461 112 0.8901 4.1017 34.4768 +2.10e+07 L42.CA,HA; L42.HD1# >> 1258 112 2.1233 2.3062 34.3995 +1.86e+08 Q117.CG,HG1|HG2; Q117.HB1 >> 760 113 4.1369 2.5943 34.2670 +2.18e+07 Q67.CG,HG2; Q67.HA >> 745 113 4.1476 2.4551 34.2413 +2.25e+07 Q67.CG,HG1; Q67.HA >> 763 114 2.1553 2.5931 34.2168 +4.68e+07 Q67.CG,HG2; Q67.HB1|HB2 >> 453 114 1.4810 4.1506 34.1825 +1.60e+08 A41.CA,HA; A41.HB# >> 741 114 3.9683 2.4761 34.1437 +2.68e+07 Q67.CG,HG1; Q64.HA >> 1146 114 2.1553 2.5931 34.1437 +4.68e+07 Q67.CG,HG2; Q67.HB1|HB2 >> 1540 114 1.1997 4.1426 34.1256 +1.31e+07 A41.CA,HA; T43.HG2# >> 1680 114 3.9702 2.5995 34.1247 +1.42e+07 Q67.CG,HG2; Q64.HA >> 1363 115 0.8243 1.8349 34.0418 +1.51e+07 V5.CB,HB; L31.HD1# >> 639 115 2.7644 4.6047 34.0057 +4.25e+07 D57.CA,HA; D57.HB1 >> 1313 115 0.9914 1.8309 33.9995 +2.58e+07 V5.CB,HB; V5.HG1# >> 1624 115 0.2279 4.6024 33.9942 +1.19e+07 D57.CA,HA; V58.HG2# >> 1623 115 3.3428 4.5984 33.9916 +1.16e+07 D57.CA,HA; V58.HA >> 277 115 2.2442 5.0103 33.9580 +1.16e+07 Q27.CA,HA; Q27.HB2 >> 642 115 2.2577 4.6099 33.9526 +8.76e+06 D57.CA,HA; Q59.HB2 >> 638 115 2.5889 4.6011 33.9452 +4.70e+07 D57.CA,HA; D57.HB2 >> 641 115 2.0864 4.6042 33.9387 +1.46e+07 D57.CA,HA; E60.HB1|HB2 >> 1141 115 2.1839 2.4782 33.9193 +9.61e+07 Q103.CG,HG2; Q103.HB1|HB2 >> 1140 116 3.9868 2.4820 33.8791 +3.07e+07 Q103.CG,HG2; Q103.HA >> 1139 116 3.9955 2.3915 33.8696 +1.90e+07 Q103.CG,HG1; Q103.HA >> 107 116 2.8483 4.7368 33.8465 +2.03e+07 D10.CA,HA; D10.HB1 >> 278 116 1.9775 5.0100 33.8353 +1.08e+07 Q27.CA,HA; Q27.HB1 >> 1143 116 1.2233 2.4013 33.8222 +1.02e+07 Q103.CG,HG1; T106.HG2# >> 1778 116 2.8596 0.4629 33.8214 +1.99e+07 I92.CD1,HD1#; Y91.HB1 >> 1755 116 2.0940 2.4011 33.7971 +1.38e+08 Q86.CG,HG1|HG2; Q86.HB2 >> 109 116 2.4267 4.7509 33.7912 +1.15e+07 D10.CA,HA; E9.HG1|HG2 >> 1598 116 1.0427 4.8966 33.7899 +1.05e+07 L49.CA,HA; L6.HB2 >> 941 116 4.4984 2.4027 33.7817 +5.69e+07 Q86.CG,HG1|HG2; Q86.HA >> 108 116 2.6566 4.7361 33.7741 +2.77e+07 D10.CA,HA; D10.HB2 >> 1142 116 1.2300 2.4820 33.7739 +9.63e+06 Q103.CG,HG2; T106.HG2# >> 1337 116 0.6964 4.8979 33.7592 +3.42e+07 L49.CA,HA; L49.HD1# >> 1003 117 2.4345 0.4635 33.7400 +1.75e+07 I92.CD1,HD1#; Q104.HG2 >> 2026 117 0.9260 4.9951 33.7399 +1.01e+07 Q27.CA,HA; V28.HG2# >> 1777 117 3.0458 0.4666 33.7362 +3.00e+07 I92.CD1,HD1#; F77.HB1 >> 999 117 3.2360 0.4601 33.7353 +2.72e+07 I92.CD1,HD1#; V105.HA >> 1775 117 4.2610 0.4645 33.7302 +1.22e+07 I92.CD1,HD1#; F101.HA >> 589 117 1.9982 4.8843 33.7302 +1.34e+07 L49.CA,HA; L49.HB1 >> 1007 117 1.8783 0.4575 33.7140 +6.67e+07 I92.CD1,HD1#; I92.HB >> 1009 117 1.3774 0.4599 33.7118 +1.07e+08 I92.CD1,HD1#; R90.HG1 >> 1781 117 1.5874 0.4582 33.7028 +3.54e+07 I92.CD1,HD1#; L79.HG >> 1010 117 1.0504 0.4593 33.6990 +2.10e+08 I92.CD1,HD1#; I92.HG2# >> 993 117 4.6175 0.4619 33.6980 +2.84e+07 I92.CD1,HD1#; I92.HA >> 1019 117 0.0079 0.4581 33.6964 +1.36e+08 I92.CD1,HD1#; V105.HG1# >> 1022 117 0.2955 0.4580 33.6940 +7.31e+07 I92.CD1,HD1#; V105.HG2# >> 1015 117 0.7091 0.4576 33.6827 +9.03e+07 I92.CD1,HD1#; L48.HD1# >> 1782 117 0.8438 0.4580 33.6825 +1.50e+08 I92.CD1,HD1#; L79.HD1#|HD2# >> 1780 117 2.6316 0.4554 33.6726 +1.80e+07 I92.CD1,HD1#; Q104.HG1 >> 1005 117 2.0823 0.4589 33.6707 +2.15e+07 I92.CD1,HD1#; Q104.HB1 >> 1776 117 3.8164 0.4590 33.6588 +1.99e+07 I92.CD1,HD1#; P93.HD1|HD2 >> 284 120 0.9646 2.0070 33.2762 +4.35e+07 V28.CB,HB; V28.HG1# >> 830 120 1.7762 4.9327 33.2591 +2.38e+07 K75.CA,HA; K75.HD1 >> 949 120 0.7149 1.9030 33.2210 +4.79e+07 V88.CB,HB; V88.HG2# >> 1334 120 0.8061 4.7945 33.1994 +4.73e+07 L31.CA,HA; L31.HD1# >> 950 120 0.4583 1.9050 33.1936 +4.67e+07 V88.CB,HB; V88.HG1# >> 1585 120 0.4626 5.1130 33.1764 +1.44e+07 L48.CA,HA; I92.HD1# >> 1483 120 1.2141 5.9211 33.1763 +9.96e+06 W30.CA,HA; L6.HG >> 948 120 3.8021 1.9305 33.1389 +1.34e+07 V88.CB,HB; V88.HA >> 1484 120 0.9766 5.9178 33.1296 +1.19e+07 W30.CA,HA; V5.HG2# >> 1485 121 0.7503 5.9186 33.1274 +1.50e+07 W30.CA,HA; L6.HD2# >> 1088 121 3.2718 5.1150 33.1160 +1.81e+07 H97.CA,HA; H97.HB1 >> 1336 121 0.7207 5.1144 33.0881 +2.94e+07 L48.CA,HA; L48.HD1# >> 1814 121 3.9020 5.1141 33.0682 +2.20e+07 H97.CA,HA; P98.HD2 >> 1089 121 3.1017 5.1080 33.0530 +1.92e+07 H97.CA,HA; H97.HB2 >> 848 122 2.7036 5.7210 32.9612 +1.07e+07 F77.CA,HA; F77.HB2 >> 775 122 4.4763 2.0835 32.9294 +1.02e+07 R68.CB,HB1; R68.HA >> 886 122 0.8429 5.5542 32.9208 +3.79e+07 L79.CA,HA; L79.HD1#|HD2# >> 1683 122 1.7054 2.0909 32.9158 +1.57e+07 R68.CB,HB1; R68.HG1|HG2 >> 1738 122 1.8567 5.5676 32.8825 +1.00e+07 L79.CA,HA; I92.HB >> 1715 122 0.7077 5.6912 32.8818 +1.91e+07 F77.CA,HA; V88.HG2# >> 847 122 3.0087 5.7128 32.8807 +1.21e+07 F77.CA,HA; F77.HB1 >> 883 122 1.5952 5.5597 32.8666 +2.59e+07 L79.CA,HA; L79.HG >> 1725 122 1.5570 0.6431 32.8182 +4.19e+07 I78.CD1,HD1#; L49.HB2 >> 358 123 2.5800 4.7394 32.7852 +6.82e+07 D33.CA,HA; D33.HB1|HB2 >> 856 123 5.0434 0.6427 32.7645 +4.77e+07 I78.CD1,HD1#; I78.HA >> 867 123 1.2001 0.6435 32.7619 +2.77e+08 I78.CD1,HD1#; I78.HG2# >> 860 123 -0.0885 0.6439 32.7590 +2.13e+08 I78.CD1,HD1#; V58.HG1# >> 1727 123 0.2227 0.6434 32.7508 +2.32e+08 I78.CD1,HD1#; V58.HG2# >> 1726 123 0.4837 0.6445 32.7456 +2.31e+08 I78.CD1,HD1#; V88.HG1# >> 1724 123 1.9100 0.6364 32.7455 +2.62e+07 I78.CD1,HD1#; V88.HB >> 873 123 1.7411 0.6363 32.7310 +5.13e+07 I78.CD1,HD1#; I78.HB >> 1739 123 1.4510 5.5540 32.7224 +1.50e+07 L79.CA,HA; A50.HB# >> 1355 123 1.9408 0.1317 32.6743 +2.30e+07 I4.CD1,HD1#; L21.HG >> 1356 124 0.3285 0.1326 32.5621 +8.21e+07 I4.CD1,HD1#; V105.HG2# >> 23 124 0.5869 0.1341 32.5600 +2.82e+08 I4.CD1,HD1#; I4.HG2# >> 21 124 0.9376 0.1344 32.5558 +1.24e+08 I4.CD1,HD1#; I4.HG11 >> 18 124 1.2999 0.1361 32.5538 +8.04e+07 I4.CD1,HD1#; I4.HG12 >> 22 124 0.7236 0.1349 32.5465 +2.72e+08 I4.CD1,HD1#; L109.HD1# >> 1354 124 1.0269 0.1343 32.5452 +1.75e+08 I4.CD1,HD1#; A46.HB# >> 17 124 1.5365 0.1369 32.5364 +6.47e+07 I4.CD1,HD1#; I4.HB >> 1253 124 1.4351 4.4214 32.5314 +3.25e+08 A113.CA,HA; A113.HB# >> 1206 124 4.1953 2.0161 32.5038 +1.22e+07 M107.CB,HB2; M107.HA >> 14 125 4.2360 0.1319 32.4690 +1.14e+07 I4.CD1,HD1#; L21.HA >> 13 125 4.6535 0.1365 32.4504 +4.31e+07 I4.CD1,HD1#; I4.HA >> 1205 125 4.2035 2.5781 32.4495 +2.24e+07 M107.CG,HG2; M107.HA >> 1213 125 2.5603 2.0159 32.4336 +1.71e+07 M107.CB,HB2; M107.HG2 >> 254 125 1.6904 4.4133 32.4120 +1.45e+08 A24.CA,HA; A24.HB# >> 1210 125 2.5835 2.1239 32.4034 +2.47e+07 M107.CB,HB1; M107.HG2 >> 1202 125 4.1972 2.7340 32.3996 +2.09e+07 M107.CG,HG1; M107.HA >> 1212 125 2.7281 2.1277 32.3896 +1.78e+07 M107.CB,HB1; M107.HG1 >> 1211 125 2.7184 2.0101 32.3833 +2.27e+07 M107.CB,HB2; M107.HG1 >> 913 125 3.5781 1.5892 32.3807 +1.97e+07 K82.CB,HB2; K82.HA >> 916 126 1.1752 1.6692 32.3289 +3.22e+07 K82.CB,HB1; K82.HG1|HG2 >> 1204 126 4.2158 2.1361 32.3242 +1.28e+07 M107.CB,HB1; M107.HA >> 912 126 3.5807 1.6718 32.2986 +2.33e+07 K82.CB,HB1; K82.HA >> 917 126 1.1685 1.5744 32.2938 +3.22e+07 K82.CB,HB2; K82.HG1|HG2 >> 924 126 2.6792 4.8155 32.2619 +1.56e+08 N84.CA,HA; N84.HB1 >> 925 126 2.4647 4.8158 32.2584 +1.38e+08 N84.CA,HA; N84.HB2 >> 1805 127 0.8353 0.2168 32.0900 +3.20e+08 I96.CD1,HD1#; L79.HD1#|HD2# >> 1065 127 1.6542 0.2166 32.0821 +8.96e+07 I96.CD1,HD1#; I96.HB >> 1067 127 1.0531 0.2164 32.0819 +3.38e+08 I96.CD1,HD1#; I96.HG11|HG12 >> 1070 127 0.4208 0.2173 32.0761 +3.37e+08 I96.CD1,HD1#; I96.HG2# >> 1804 127 1.3758 0.2172 32.0743 +3.56e+07 I96.CD1,HD1#; I92.HG11 >> 1801 127 3.7094 0.2176 32.0598 +2.27e+07 I96.CD1,HD1#; T13.HA >> 1349 128 0.8378 4.3066 32.0227 +5.76e+07 L94.CA,HA; L94.HD2# >> 381 128 0.9916 2.0439 31.9302 +9.88e+07 V36.CB,HB; V36.HG2# >> 382 128 0.8591 2.0456 31.9085 +1.40e+08 V36.CB,HB; V36.HG1# >> 377 128 3.4886 2.0503 31.8917 +4.15e+07 V36.CB,HB; V36.HA >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 H-aliphatic . 'not observed' 7211.539 Hz 1918.60 . . 30093 6 >> 2 C 13 C-aliphatic . folded 3023.204 Hz 5944.17 . . 30093 6 >> 3 H 1 H-aliphatic . 'not observed' 3727.018 Hz 1918.60 . . 30093 6 >> >> stop_ >> >> loop_ >> _Spectral_peak_software.Software_ID >> _Spectral_peak_software.Software_label >> _Spectral_peak_software.Method_ID >> _Spectral_peak_software.Method_label >> _Spectral_peak_software.Entry_ID >> _Spectral_peak_software.Spectral_peak_list_ID >> >> 3 $software_3 . . 30093 6 >> 5 $software_5 . . 30093 6 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_7 _Saveframe_category spectral_peak_list _Details ; Residue numbering for CikA is offset by 612. For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. Residue numbering for KaiB is offset by 200. For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list. ; loop_ _Software_label $software_3 $software_5 stop_ _Experiment_label '13C-edited, 12C-filtered 3D NOESY-HSQC' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H-aliphatic 2 C C-aliphatic 3 H H-aliphatic stop_ _Sample_label "sample_15 (sample_16)" _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_7 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_7 >> _Spectral_peak_list.Entry_ID 30093 >> _Spectral_peak_list.ID 7 >> _Spectral_peak_list.Sample_ID 16 >> _Spectral_peak_list.Sample_label $sample_16 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 36 >> _Spectral_peak_list.Experiment_name '13C-edited, 12C-filtered 3D NOESY-HSQC' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details >>; >>Residue numbering for CikA is offset by 612. >>For example, residues 613 to 729 in CikA is residue 1 to 117 in this peak list. >> >>Residue numbering for KaiB is offset by 200. >>For example, residue 1 to 106 in KaiB is residue 201 to 306 in this peak list. >>; >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Peak Pick Table, File: c12c13internoesy_v9.PCK >> >># >># Input Parameters: >> DATA DIMCOUNT 3 >> DATA X_AXIS 256 3606.79 601.13 3607.393 PPM 0.00 >> DATA Y_AXIS 1024 7211.54 601.13 5409.766 PPM 0.00 >> DATA Z_AXIS 256 3023.20 151.16 7830.250 PPM 0.00 >># >>FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s >>VARS PkID Sl.Z X Y Z Intensity Assign >> 934 1 2.3693 1.8781 51.8384 +7.48e+06 **** >> 1369 8 1.9979 4.8972 51.2925 +9.00e+06 A241.CA,HA; V28.HB >> 1203 8 0.9832 4.9004 51.2693 +8.63e+06 A241.CA,HA; V28.HG1# >> 905 11 1.3127 1.8233 51.0286 +9.65e+06 R205.CB,HB2|HB1; T23.HG2# >> 904 11 1.3107 1.7386 51.0242 +1.23e+07 R205.CB,HB1|HB2; T23.HG2# >> 1132 16 4.4204 3.9491 50.6288 +4.08e+07 T207.CB,HB; S19.HA >> 1133 16 4.2749 3.9478 50.6065 +2.56e+07 T207.CB,HB; T22.HB >> 1134 17 4.0677 3.9477 50.5870 +2.55e+07 T207.CB,HB; S19.HB1|HB2 >> 1135 17 1.1439 3.9495 50.5580 +2.94e+07 T207.CB,HB; T22.HG2# >> 315 28 1.4866 1.6857 49.6814 +2.41e+07 K226.CD,HD1|HD2; A41.HB# >> 1179 28 0.7587 1.6976 49.6714 +7.78e+06 K226.CD,HD1|HD2; L42.HD2# >> 316 28 4.1463 1.6847 49.6631 +1.41e+07 K226.CD,HD1|HD2; A41.HA >> 950 38 3.0156 1.6596 48.9094 +2.83e+07 **** >> 951 40 2.8703 1.6773 48.7927 +1.36e+07 **** >> 388 53 0.7626 0.8974 47.7202 +1.43e+07 I245.CG1,HG12|HG11; V32.HG1#|HG2# >> 389 54 0.7507 0.7226 47.6987 +1.47e+07 I245.CG1,HG11|HG12; V32.HG1#|HG2# >> 935 55 4.0841 2.0213 47.5691 +8.67e+06 **** >> 1106 59 3.0383 1.6213 47.2983 +9.55e+06 **** >> 1104 59 4.0335 1.6257 47.2939 +1.23e+07 R205.CG,HG1|HG2; S19.HB1|HB2 >> 1103 59 4.3747 1.6251 47.2742 +9.44e+06 R205.CG,HG1|HG2; T23.HB >> 906 59 1.3122 1.6210 47.2636 +2.32e+07 R205.CG,HG1|HG2; T23.HG2# >> 294 61 0.7546 1.5090 47.1491 +1.33e+07 L225.CG,HG; L42.HD2# >> 760 61 0.8812 1.5123 47.1057 +1.15e+07 L225.CG,HG; I29.HG2#|HD1# >> 362 62 0.8728 1.3175 47.0573 +1.02e+07 L242.CG,HG; I29.HG2# >> 1190 65 0.8947 0.6984 46.8166 +1.90e+07 L232.CD2,HD2#; I29.HD1# >> 1176 72 0.7729 0.8550 46.2560 +5.78e+07 L225.CD2,HD2#; L42.HD2# >> 1165 72 3.0314 0.8571 46.2523 +1.34e+07 **** >> 1297 72 1.8432 0.8565 46.2480 +3.63e+07 **** >> 1172 72 1.5071 0.8555 46.2475 +3.95e+07 L225.CD2,HD2#; R38.HG2 >> 1299 72 0.8828 0.8556 46.2474 +7.27e+07 **** >> 1163 72 3.1922 0.8557 46.2449 +1.87e+07 L225.CD2,HD2#; R38.HD1 >> 1162 72 3.8782 0.8552 46.2276 +1.87e+07 **** >> 1212 74 0.8951 1.0333 46.0829 +8.78e+06 L242.CB,HB2|HB1; I29.HD1# >> 1210 82 1.5611 0.6596 45.4871 +9.95e+06 L242.CD1,HD1#; I29.HG12 >> 1206 82 5.1241 0.6561 45.4823 +1.80e+07 L242.CD1,HD1#; I29.HA >> 1211 82 1.3259 0.6589 45.4731 +1.28e+07 L242.CD1,HD1#; I29.HG11 >> 1219 82 0.7619 0.6556 45.4667 +1.61e+07 L242.CD1,HD1#; L42.HD2# >> 1220 82 0.8909 0.6588 45.4552 +8.36e+07 L242.CD1,HD1#; I29.HG2# >> 1209 82 1.8992 0.6612 45.4511 +8.65e+06 L242.CD1,HD1#; I29.HB >> 946 86 0.7262 0.8950 45.1979 +3.38e+07 **** >> 1124 86 4.3964 0.8954 45.1536 +1.63e+07 L204.CD2,HD2#; A24.HA >> 1119 86 3.7236 0.8927 45.1519 +2.61e+07 L204.CD2,HD2#; I20.HA >> 945 86 0.8716 0.8926 45.1454 +5.69e+07 **** >> 1121 86 1.3168 0.8923 45.1344 +2.52e+07 L204.CD2,HD2#; T23.HG2# >> 1118 86 4.0726 0.8934 45.1309 +4.54e+07 L204.CD2,HD2#; S19.HB1|HB2 >> 1120 87 1.0959 0.8934 45.1110 +2.29e+07 L204.CD2,HD2#; I20.HG2# >> 1175 94 0.7714 0.8502 44.5270 +5.84e+07 L225.CD1,HD1#; L42.HD2# >> 1164 94 3.0660 0.8587 44.5004 +8.54e+06 **** >> 1173 94 0.8864 0.8516 44.4984 +9.24e+07 L225.CD1,HD1#; L42.HD1# >> 1166 95 1.8562 0.8531 44.4954 +1.92e+07 L225.CD1,HD1#; R38.HB1 >> 1161 95 3.8676 0.8466 44.4933 +1.03e+07 L225.CD1,HD1#; R38.HA >> 1171 95 1.5258 0.8466 44.4798 +1.50e+07 L225.CD1,HD1#; R38.HG2 >> 1208 97 3.5904 0.7189 44.3245 +1.03e+07 **** >> 1296 98 1.8562 0.8556 44.2229 +1.29e+07 **** >> 1298 98 0.8845 0.7165 44.2229 +3.04e+07 **** >> 1207 98 5.1349 0.7160 44.1922 +9.87e+06 **** >> 1115 99 1.3174 0.8588 44.1755 +5.02e+07 L204.CD1,HD1#; T23.HG2# >> 1113 99 3.7251 0.8602 44.1662 +4.31e+07 L204.CD1,HD1#; I20.HA >> 1123 99 4.3648 0.8579 44.1656 +3.28e+07 L204.CD1,HD1#; T23.HB >> 1116 99 1.1159 0.8586 44.1458 +2.56e+07 L204.CD1,HD1#; I20.HG2# >> 1071 109 1.3165 3.1959 43.3803 +2.80e+07 R205.CD,HD1|HD2; T23.HG2# >> 1100 109 4.3717 3.1962 43.3776 +1.01e+07 R205.CD,HD1|HD2; T23.HB >> 1101 109 4.0339 3.1945 43.3756 +1.70e+07 R205.CD,HD1|HD2; S19.HB1|HB2 >> 923 109 3.0793 3.1968 43.3671 +1.21e+08 **** >> 922 109 3.3122 3.1961 43.3649 +1.11e+08 **** >> 1154 113 3.8846 0.9137 43.0694 +1.56e+07 V222.CG1,HG1#|HG2#; R38.HA >> 739 113 2.0171 0.9101 43.0692 +8.24e+06 V222.CG1,HG1#|HG2#; E37.HB1 >> 1156 113 1.4891 0.9153 43.0395 +4.86e+07 V222.CG1,HG1#|HG2#; A41.HB# >> 1152 113 4.1468 0.9154 43.0298 +1.37e+07 V222.CG1,HG2#|HG1#; A41.HA >> 926 114 4.2657 4.3879 42.9740 +3.69e+07 **** >> 927 114 4.5081 4.3900 42.9486 +3.50e+07 **** >> 954 126 1.4334 1.1280 42.0639 +2.46e+07 **** >> 952 126 2.8815 2.9992 42.0631 +1.33e+09 **** >> 953 126 3.1192 2.9990 42.0630 +1.32e+09 **** >> 1138 126 4.2800 1.1282 42.0602 +8.49e+07 T207.CG2,HG2#; T22.HB >> 1137 126 4.4120 1.1275 42.0590 +8.04e+07 T207.CG2,HG2#; S19.HA >> 1141 126 1.3115 1.1277 42.0554 +5.77e+07 T207.CG2,HG2#; T23.HG2# >> 1142 126 1.1523 1.1281 42.0518 +1.03e+08 T207.CG2,HG2#; T22.HG2# >> 1140 126 3.9003 1.1362 42.0518 +1.45e+07 T207.CG2,HG2#; C18.HA >> 1136 126 4.6939 1.1278 42.0509 +2.30e+07 T207.CG2,HG2#; T22.HA >> 1139 126 4.0497 1.1274 42.0491 +6.03e+07 T207.CG2,HG2#; S19.HB1|HB2 >> 1224 126 3.2020 0.7009 42.0286 +6.75e+06 V244.CG1,HG1#; R38.HD1 >> 1241 126 1.1478 4.4285 42.0268 +9.02e+06 T207.CA,HA; T22.HG2# >> 974 126 0.8731 0.7139 42.0013 +9.18e+07 V244.CG1,HG1#; L31.HD2# >> 376 127 4.7980 0.7131 41.9602 +1.29e+07 V244.CG1,HG1#; L31.HA >> 1191 128 4.1536 3.0579 41.8738 +2.67e+07 K237.CE,HE1|HE2; G25.HA1 >> 784 129 1.8649 3.0125 41.7822 +1.03e+07 K226.CE,HE2|HE1; L42.HG >> 778 130 1.2169 2.9469 41.7251 +7.14e+06 K226.CE,HE1|HE2; T43.HG2# >> 1177 130 4.1461 3.0102 41.6874 +1.99e+07 K226.CE,HE2|HE1; A41.HA >> 317 131 1.4921 2.9468 41.6687 +3.16e+07 K226.CE,HE1|HE2; A41.HB# >> 318 131 4.1495 2.9471 41.6681 +2.41e+07 K226.CE,HE1|HE2; A41.HA >> 776 131 1.4916 3.0069 41.6622 +3.27e+07 K226.CE,HE2|HE1; A41.HB# >> 1178 131 1.2141 3.0009 41.6199 +9.05e+06 K226.CE,HE2|HE1; T43.HG2# >> 957 132 0.8856 1.0414 41.5959 +1.98e+07 **** >> 1146 132 3.4765 1.0452 41.5809 +1.84e+07 V209.CG2|CG1,HG2#|HG1#; T15.HA >> 1148 132 1.2218 1.0420 41.5584 +5.57e+07 V209.CG2|CG1,HG2#|HG1#; T15.HG2# >> 1144 132 3.9055 1.0417 41.5547 +8.73e+06 V209.CG2|CG1,HG2#|HG1#; C18.HA >> 958 132 1.0156 1.0375 41.5520 +8.14e+06 **** >> 1143 133 4.1195 1.0416 41.4922 +1.04e+07 V209.CG2|CG1,HG2#|HG1#; T15.HB >> 1153 134 4.1526 0.9082 41.3891 +2.50e+07 V222.CG2,HG2#|HG1#; A41.HA >> 1225 134 3.1938 0.7382 41.3812 +1.94e+07 V244.CG2,HG2#; R38.HD1 >> 380 135 4.7900 0.7315 41.3687 +9.81e+06 V244.CG2,HG2#; L31.HA >> 1155 135 3.8818 0.9093 41.3672 +1.44e+07 V222.CG2,HG2#|HG1#; R38.HA >> 959 135 3.6103 0.8894 41.3666 +1.05e+07 **** >> 1157 135 1.4888 0.9104 41.3636 +8.52e+07 V222.CG2,HG2#|HG1#; A41.HB# >> 1226 135 3.0292 0.7369 41.3634 +1.24e+07 V244.CG2,HG2#; R38.HD2 >> 975 135 0.8088 0.7372 41.3576 +6.25e+07 V244.CG2,HG2#; L31.HD1# >> 962 135 0.8822 0.9000 41.3226 +3.11e+07 **** >> 963 136 0.7749 0.9078 41.2772 +3.33e+07 **** >> 961 136 1.0243 0.9053 41.2522 +2.43e+07 **** >> 1194 138 4.2675 1.4884 41.1054 +9.65e+06 A241.CB,HB#; T22.HB >> 1196 138 3.4727 1.4870 41.0982 +1.43e+07 A241.CB,HB#; T15.HA >> 1198 138 2.3472 1.4818 41.0803 +2.13e+07 A241.CB,HB#; C18.HB2 >> 1192 138 5.0886 1.4858 41.0760 +7.90e+06 A241.CB,HB#; V28.HA >> 1199 138 2.0053 1.4837 41.0713 +5.15e+07 A241.CB,HB#; V28.HB >> 1197 138 3.1508 1.4871 41.0683 +1.99e+07 A241.CB,HB#; C18.HB1 >> 1201 139 1.1712 1.4820 41.0567 +2.02e+07 A241.CB,HB#; T22.HG2# >> 1195 139 3.9022 1.4863 41.0495 +3.58e+07 A241.CB,HB#; C18.HA >> 845 139 0.9838 1.4855 41.0198 +4.21e+07 A241.CB,HB#; V28.HG1# >> 847 139 0.9128 1.4855 41.0198 +4.57e+07 A241.CB,HB#; V28.HG2# >> 1193 139 4.4267 1.4836 40.9823 +7.21e+06 A241.CB,HB#; S19.HA >> 385 154 0.7626 4.0089 39.8428 +2.46e+07 I245.CA,HA; V32.HG1#|HG2# >> 390 161 0.7621 0.7599 39.2746 +4.38e+07 I245.CG2,HG2#; V32.HG1#|HG2# >> 391 162 2.3526 0.7696 39.2596 +6.59e+06 I245.CG2,HG2#; V32.HB >> 979 174 1.5210 1.4239 38.2920 +3.19e+07 **** >> 1184 187 1.8719 1.2566 37.2771 +1.28e+07 A229.CB,HB#; L42.HG >> 1185 187 0.7553 1.2552 37.2534 +7.13e+07 A229.CB,HB#; L42.HD2# >> 1182 187 1.5444 1.2582 37.2489 +1.09e+07 A229.CB,HB#; I29.HG12 >> 1181 187 4.1082 1.2515 37.2472 +1.44e+07 A229.CB,HB#; L42.HA >> 1186 187 0.8893 1.2557 37.2461 +1.31e+08 A229.CB,HB#; I29.HD1# >> 1183 188 1.3618 1.2553 37.2225 +2.16e+07 A229.CB,HB#; I29.HG11 >> 1127 202 4.0765 4.3297 36.0874 +1.12e+07 K206.CA,HA; S19.HB1|HB2 >> 978 205 1.3162 4.3344 35.8991 +8.35e+06 **** >> 903 207 1.3286 4.3681 35.7101 +7.81e+06 R205.CA,HA; T23.HG2# >> 977 207 4.2158 4.3312 35.7078 +3.89e+07 **** >> 976 208 4.4478 4.3306 35.6291 +3.90e+07 **** >> 1109 211 4.4443 4.3279 35.3948 +3.10e+07 R205.CA,HA; S19.HA >> 924 213 4.1823 4.3006 35.2606 +1.65e+07 **** >> 200 215 1.3144 4.2934 35.0999 +3.55e+07 L204.CA,HA; T23.HG2# >> 1228 227 0.7528 0.2609 34.1598 +7.45e+07 I245.CD1,HD1#; V32.HG1# >> 392 227 2.3612 0.2623 34.1337 +7.40e+06 I245.CD1,HD1#; V32.HB >> 1222 237 4.7820 1.8993 33.3346 +8.42e+06 V244.CB,HB; L31.HA >> 1227 237 0.8074 1.8935 33.3337 +2.00e+07 V244.CB,HB; L31.HD1# >> 930 255 1.7564 1.8655 31.9630 +1.32e+07 **** >> 928 256 2.3719 2.2589 31.9123 +1.45e+07 **** >> 929 256 1.9800 1.8680 31.9025 +1.27e+07 **** >> 931 256 2.1405 1.8604 31.8923 +9.88e+06 **** >> 933 256 1.9870 2.2526 31.8846 +9.04e+06 **** >> 932 256 1.7591 2.2568 31.8826 +6.46e+06 **** >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 H-aliphatic . 'not observed' 7211.539 Hz 1918.60 . . 30093 7 >> 2 C 13 C-aliphatic . folded 3023.204 Hz 5944.17 . . 30093 7 >> 3 H 1 H-aliphatic . 'not observed' 3606.792 Hz 1918.60 . . 30093 7 >> >> stop_ >> >> loop_ >> _Spectral_peak_software.Software_ID >> _Spectral_peak_software.Software_label >> _Spectral_peak_software.Method_ID >> _Spectral_peak_software.Method_label >> _Spectral_peak_software.Entry_ID >> _Spectral_peak_software.Spectral_peak_list_ID >> >> 3 $software_3 . . 30093 7 >> 5 $software_5 . . 30093 7 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_8 _Saveframe_category spectral_peak_list _Details . loop_ _Software_label $software_3 $software_5 stop_ _Experiment_label '3D 15N edited 1H-15N NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 N N 3 H H-aliphatic stop_ _Sample_label $sample_3 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_8 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_8 >> _Spectral_peak_list.Entry_ID 30093 >> _Spectral_peak_list.ID 8 >> _Spectral_peak_list.Sample_ID 3 >> _Spectral_peak_list.Sample_label $sample_3 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 30 >> _Spectral_peak_list.Experiment_name '3D 15N edited 1H-15N NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Peak Pick Table, File: n15noesy_v9.PCK >> >># >># Input Parameters: >> DATA DIMCOUNT 3 >> DATA X_AXIS 1024 4807.69 601.13 7532.627 PPM 0.00 >> DATA Y_AXIS 256 5590.54 601.13 5301.822 PPM 0.00 >> DATA Z_AXIS 128 1583.90 60.92 8062.541 PPM 0.00 >># >>FORMAT %4d %4d %9.4f %9.4f %9.4f %+8.2e %10s >>VARS PkID Sl.Z X Y Z Intensity Assign >> 704 10 9.4798 1.3672 130.5066 +8.74e+06 K243.N,HN; K243.HB1|HB2 >> 290 10 9.4657 0.8676 130.4951 +1.14e+07 K243.N,HN; V209.HG1#|HG2# >> 288 10 9.4643 0.7068 130.4766 +2.72e+07 K243.N,HN; L242.HD2# >> 291 10 9.4625 5.0814 130.4610 +2.62e+07 K243.N,HN; L242.HA >> 705 11 9.4551 1.1396 130.3782 +1.04e+07 K243.N,HN; K243.HB2|HB1 >> 430 13 9.0634 5.4734 129.9338 +8.20e+06 L265.N,HN; L265.HA >> 427 13 9.0663 1.3390 129.8573 +1.04e+07 L265.N,HN; L265.HG >> 428 13 9.0670 1.9166 129.8450 +1.09e+07 L265.N,HN; L265.HB1|HB2 >> 426 13 9.0613 1.1228 129.8342 +3.32e+07 L265.N,HN; T264.HG2# >> 431 13 9.0605 4.8173 129.8229 +3.48e+07 L265.N,HN; T264.HA >> 437 22 9.6028 5.1513 128.1689 +7.13e+06 A266.N,HN; L212.HA >> 436 22 9.6013 5.4515 128.0680 +2.51e+07 A266.N,HN; L265.HA >> 433 22 9.6015 1.2962 128.0636 +2.97e+07 A266.N,HN; A266.HB# >> 432 22 9.5998 0.7842 128.0446 +3.73e+07 A266.N,HN; L265.HD1# >> 297 22 8.7492 0.2558 128.0293 +1.13e+07 I245.N,HN; I245.HD1# >> 298 22 8.7553 1.3066 128.0078 +1.56e+07 I245.N,HN; I245.HB >> 300 22 8.7503 4.7844 127.9874 +2.14e+07 I245.N,HN; V244.HA >> 706 23 8.7483 0.7216 127.9787 +4.33e+07 I245.N,HN; I245.HG11|HG12 >> 413 23 8.2052 4.3302 127.8204 +8.27e+06 L260.N,HN; L260.HA >> 409 24 8.2018 0.4532 127.7211 +8.53e+06 L260.N,HN; I259.HG2# >> 412 24 8.1992 3.9128 127.7084 +1.65e+07 L260.N,HN; I259.HA >> 731 24 8.2003 1.5316 127.6731 +1.90e+07 L260.N,HN; L260.HB1|HB2 >> 410 24 8.2018 0.8213 127.6583 +7.69e+06 L260.N,HN; L260.HD1# >> 37 27 8.6859 0.4415 127.0350 +1.27e+07 L210.N,HN; L210.HD1# >> 39 28 8.6828 1.0299 126.9348 +1.25e+07 L210.N,HN; V209.HG2#|HG1# >> 664 28 8.6775 1.4567 126.9342 +1.13e+07 L210.N,HN; L210.HG >> 38 28 8.6834 0.8893 126.9281 +2.16e+07 L210.N,HN; V209.HG1#|HG2# >> 44 28 8.6839 4.7746 126.9139 +2.59e+07 L210.N,HN; V209.HA >> 45 28 8.6777 5.0719 126.8728 +1.04e+07 L210.N,HN; L210.HA >> 296 29 8.5697 5.6142 126.7132 +1.26e+07 V244.N,HN; K243.HA >> 293 29 8.5707 1.8864 126.6713 +1.16e+07 V244.N,HN; V244.HB >> 292 29 8.5682 0.7126 126.6631 +3.32e+07 V244.N,HN; V244.HG1# >> 818 29 8.5691 5.0822 126.5979 +6.07e+06 V244.N,HN; K211.HA >> 59 30 9.1773 0.4793 126.4605 +6.09e+06 Y213.N,HN; I259.HG2# >> 57 30 9.1853 0.7768 126.3739 +3.13e+07 Y213.N,HN; L212.HD1# >> 60 31 9.1941 2.8330 126.3549 +6.17e+06 Y213.N,HN; Y213.HB1|HB2 >> 61 31 9.1831 5.1517 126.3188 +1.44e+07 Y213.N,HN; L212.HA >> 302 31 8.7030 0.7443 126.1722 +2.73e+07 D246.N,HN; I245.HG2# >> 305 31 8.7115 3.0314 126.1678 +9.45e+06 D246.N,HN; D246.HB1|HB2 >> 306 32 8.7035 4.0167 126.1467 +2.56e+07 D246.N,HN; I245.HA >> 304 32 8.6989 2.2372 126.1362 +1.01e+07 D246.N,HN; D246.HB2|HB1 >> 21 33 8.1914 1.1223 125.9303 +3.24e+07 A208.N,HN; T207.HG2# >> 24 33 8.1913 3.9528 125.9262 +3.91e+07 A208.N,HN; T207.HB >> 22 33 8.1924 1.5595 125.9221 +7.37e+07 A208.N,HN; A208.HB# >> 26 33 8.1906 4.8513 125.9212 +2.11e+07 A208.N,HN; A208.HA >> 25 33 8.1920 4.4174 125.9159 +9.09e+07 A208.N,HN; T207.HA >> 52 33 9.1100 1.3146 125.8957 +9.02e+06 L212.N,HN; I245.HB >> 50 33 9.1337 0.2653 125.8924 +5.62e+06 L212.N,HN; I245.HD1# >> 23 33 8.1900 3.5818 125.8830 +7.32e+06 A208.N,HN; P270.HD1|HD2 >> 459 33 8.6028 0.9066 125.8648 +3.31e+07 R274.N,HN; V273.HG2# >> 467 33 8.6036 4.5124 125.8620 +4.29e+07 R274.N,HN; V273.HA >> 28 33 8.1932 5.4765 125.8539 +1.06e+07 A208.N,HN; Y240.HA >> 741 33 8.6007 1.6722 125.8529 +1.87e+07 R274.N,HN; R274.HB1|HB2 >> 668 33 9.1104 4.7692 125.8483 +8.43e+06 L212.N,HN; V244.HA >> 18 33 8.1939 0.0658 125.8413 +8.40e+06 A208.N,HN; V239.HG1# >> 667 33 9.1185 0.7276 125.8365 +3.14e+07 L212.N,HN; L212.HD2# >> 462 33 8.5915 0.7551 125.8316 +1.01e+07 R274.N,HN; L293.HD1#|HD2# >> 53 33 9.1064 1.4171 125.8303 +8.29e+06 L212.N,HN; L212.HG >> 20 33 8.1955 0.9008 125.8277 +7.41e+06 A208.N,HN; V209.HG1#|HG2# >> 54 33 9.1199 5.0829 125.8178 +2.24e+07 L212.N,HN; K211.HA >> 470 37 8.8853 4.3206 125.0621 +7.84e+06 I276.N,HN; I276.HA >> 471 37 8.8857 4.7418 124.9704 +2.20e+07 I276.N,HN; R275.HA >> 744 37 8.8848 1.2999 124.9690 +1.60e+07 I276.N,HN; I276.HG11|HG12 >> 747 37 8.8854 0.7461 124.9584 +2.23e+07 I276.N,HN; I276.HG2# >> 748 37 8.8855 1.7858 124.9435 +1.77e+07 I276.N,HN; I276.HB >> 779 38 8.8999 1.1237 124.8817 +1.82e+07 I276.N,HN; T264.HG2# >> 281 38 8.9216 1.4770 124.8469 +3.77e+07 A241.N,HN; A241.HB# >> 283 38 8.9209 5.4823 124.8451 +3.13e+07 A241.N,HN; Y240.HA >> 750 39 8.1523 0.7972 124.5660 +3.29e+07 I277.N,HN; I276.HG2# >> 477 39 8.1524 4.3084 124.5564 +2.64e+07 I277.N,HN; I276.HA >> 476 39 8.1559 1.8173 124.5520 +2.31e+07 I277.N,HN; I277.HB >> 442 39 8.9898 0.7494 124.5497 +1.44e+07 K267.N,HN; L293.HD1#|HD2# >> 475 40 8.1491 1.4474 124.5135 +1.41e+07 I277.N,HN; I277.HG12|HG11 >> 474 40 8.1513 1.1758 124.4960 +1.21e+07 I277.N,HN; I277.HG11|HG12 >> 445 40 8.9969 5.3179 124.4895 +2.62e+07 K267.N,HN; A266.HA >> 446 40 8.9929 4.7341 124.4890 +1.42e+07 K267.N,HN; K267.HA >> 441 40 8.9941 1.2921 124.4825 +3.45e+07 K267.N,HN; A266.HB# >> 443 40 8.9877 0.8824 124.4811 +9.85e+06 K267.N,HN; V268.HG2#|HG1# >> 439 40 8.9927 0.4534 124.4241 +7.16e+06 K267.N,HN; L210.HD1# >> 629 41 7.9322 4.3313 124.2048 +6.44e+07 K301.N,HN; K301.HA >> 627 41 7.9311 1.7564 124.2031 +4.59e+07 K301.N,HN; K301.HB1|HB2 >> 630 41 7.9308 4.4899 124.1989 +2.24e+08 K301.N,HN; Y300.HA >> 625 41 7.9311 1.3585 124.1974 +4.28e+07 K301.N,HN; K301.HG1|HG2 >> 628 41 7.9311 3.0134 124.1971 +4.75e+07 K301.N,HN; Y300.HB1|HB2 >> 626 41 7.9329 1.6723 124.1942 +7.59e+07 K301.N,HN; K301.HB2|HB1 >> 74 44 8.2809 4.7566 123.7044 +2.12e+07 A215.N,HN; V214.HA >> 70 44 8.2753 1.1894 123.6771 +3.41e+07 A215.N,HN; A215.HB# >> 73 44 8.2803 2.2123 123.6743 +1.86e+07 A215.N,HN; V214.HB >> 71 44 8.2749 0.8288 123.6731 +2.83e+07 A215.N,HN; V214.HG1#|HG2# >> 72 44 8.2750 0.6427 123.6417 +1.45e+07 A215.N,HN; V214.HG2#|HG1# >> 478 46 8.2189 4.0517 123.2732 +1.42e+07 L280.N,HN; L280.HA >> 753 46 8.2166 0.6984 123.2504 +1.99e+07 L280.N,HN; L280.HD1# >> 479 46 8.2192 4.5247 123.2369 +3.48e+07 L280.N,HN; D279.HA >> 752 46 8.2149 1.6620 123.2197 +2.52e+07 L280.N,HN; L280.HB2|HB1 >> 541 48 8.4711 1.6043 122.7886 +1.11e+07 R291.N,HN; A294.HB# >> 546 48 8.4711 4.2793 122.7691 +1.58e+07 R291.N,HN; R291.HA >> 544 48 8.4747 3.2354 122.7690 +5.84e+06 R291.N,HN; R291.HD2|HD1 >> 770 48 8.4702 2.0719 122.7198 +2.65e+07 R291.N,HN; R291.HB1|HB2 >> 543 48 8.4689 0.9314 122.7109 +1.12e+07 R291.N,HN; L292.HD2# >> 542 48 8.4670 1.8313 122.7077 +1.42e+07 R291.N,HN; R291.HG2|HG1 >> 545 49 8.4702 3.8908 122.6992 +7.11e+06 R291.N,HN; L290.HA >> 109 49 8.1856 4.3476 122.6466 +7.90e+07 K206.N,HN; R205.HA >> 108 49 8.2013 3.7632 122.6459 +7.92e+06 V222.N,HN; S221.HB1|HB2 >> 101 49 8.1831 1.7644 122.6393 +3.46e+07 K206.N,HN; K206.HB1|HB2 >> 103 49 8.1848 1.6657 122.6356 +4.57e+07 K206.N,HN; K206.HB2|HB1 >> 104 49 8.1863 1.4252 122.6310 +2.18e+07 K206.N,HN; K206.HG1|HG2 >> 107 49 8.1997 3.2572 122.5913 +6.25e+06 V222.N,HN; R223.HD1|HD2 >> 110 49 8.1931 4.1475 122.5752 +1.32e+07 V222.N,HN; S221.HA >> 99 49 8.1913 0.9059 122.5560 +1.19e+08 V222.N,HN; V222.HG2#|HG1# >> 106 49 8.1921 3.5535 122.5559 +2.33e+07 V222.N,HN; V222.HA >> 310 49 9.4236 0.6484 122.5517 +1.05e+07 V247.N,HN; V214.HG2#|HG1# >> 100 49 8.1902 1.9995 122.5377 +5.38e+07 V222.N,HN; V222.HB >> 307 49 9.4345 0.9116 122.5174 +3.79e+07 V247.N,HN; V247.HG1# >> 308 49 9.4357 1.0447 122.5135 +3.01e+07 V247.N,HN; V247.HG2# >> 823 49 9.4301 1.2011 122.5117 +7.79e+06 V247.N,HN; A215.HB# >> 312 50 9.4350 3.8543 122.4799 +1.10e+07 V247.N,HN; V247.HA >> 313 50 9.4383 5.2120 122.4748 +2.24e+07 V247.N,HN; D246.HA >> 703 50 7.6345 5.0703 122.4744 +8.18e+06 L242.N,HN; L242.HA >> 311 50 9.4382 2.2976 122.4561 +1.03e+07 V247.N,HN; V247.HB >> 701 50 7.6305 0.6841 122.4431 +2.13e+07 L242.N,HN; L242.HD1# >> 287 50 7.6279 4.9062 122.4303 +1.98e+07 L242.N,HN; A241.HA >> 700 50 7.6329 1.0372 122.4279 +1.24e+07 L242.N,HN; L242.HB2|HB1 >> 285 50 7.6312 1.4703 122.3827 +2.81e+07 L242.N,HN; A241.HB# >> 124 50 7.5415 3.7653 122.3715 +9.10e+06 A224.N,HN; L225.HA >> 805 50 7.5362 4.4538 122.3678 +5.60e+06 A224.N,HN; N220.HA >> 673 50 7.5412 3.5421 122.3531 +6.84e+06 A224.N,HN; P263.HD2|HD1 >> 121 50 7.5379 1.6332 122.3485 +1.40e+07 A224.N,HN; R223.HG1|HG2 >> 122 50 7.5375 1.9076 122.3461 +4.28e+07 A224.N,HN; R223.HB1|HB2 >> 123 50 7.5386 4.0409 122.3447 +4.11e+07 A224.N,HN; A224.HA >> 804 50 7.5324 4.3174 122.3426 +6.16e+06 A224.N,HN; S281.HA >> 119 50 7.5380 1.4247 122.3397 +9.23e+07 A224.N,HN; A224.HB# >> 671 50 7.5344 0.8378 122.3257 +1.27e+07 A224.N,HN; V214.HG1#|HG2# >> 4 52 8.0378 3.1942 121.9896 +6.31e+06 L204.N,HN; R205.HD1|HD2 >> 661 52 8.0815 1.7547 121.9863 +5.06e+07 R205.N,HN; R205.HB1|HB2 >> 795 52 8.0817 4.3066 121.9748 +1.65e+08 R205.N,HN; L204.HA >> 8 52 8.0835 0.8675 121.9680 +2.86e+07 R205.N,HN; L204.HD1# >> 5 52 8.0330 3.6255 121.9415 +7.74e+06 L204.N,HN; P203.HD1|HD2 >> 9 52 8.0830 3.1899 121.9295 +7.25e+06 R205.N,HN; R205.HD1|HD2 >> 2 52 8.0336 2.0278 121.9258 +1.97e+07 L204.N,HN; P203.HG1|HG2 >> 659 52 8.0335 1.6014 121.9232 +1.90e+08 L204.N,HN; L204.HB1|HB2 >> 3 52 8.0322 2.2559 121.9136 +3.47e+07 L204.N,HN; P203.HB1|HB2 >> 660 52 8.0341 0.8708 121.9114 +4.32e+07 L204.N,HN; L204.HD2# >> 1 52 8.0335 1.8628 121.8980 +3.21e+07 L204.N,HN; P203.HB2|HB1 >> 633 53 8.1453 1.3595 121.8688 +1.17e+07 D302.N,HN; K301.HG1|HG2 >> 631 53 8.1460 4.3277 121.8629 +1.43e+08 D302.N,HN; K301.HA >> 263 54 7.4479 3.0534 121.5321 +8.57e+06 K237.N,HN; K237.HE1|HE2 >> 254 54 7.4385 1.5234 121.4820 +2.26e+07 K237.N,HN; K237.HG2|HG1 >> 256 55 7.4354 1.3085 121.4632 +1.22e+07 K237.N,HN; K237.HG1|HG2 >> 264 55 7.4409 4.2019 121.4510 +3.59e+07 K237.N,HN; K237.HA >> 255 55 7.4401 1.9082 121.4400 +5.91e+07 K237.N,HN; K237.HB1|HB2 >> 697 55 7.4392 1.6959 121.4400 +5.67e+07 K237.N,HN; K237.HB2|HB1 >> 265 55 7.4403 4.7869 121.4274 +3.24e+07 K237.N,HN; F236.HA >> 260 55 7.4420 0.7647 121.4156 +9.29e+06 K237.N,HN; V239.HG2# >> 530 55 7.6225 3.7079 121.4050 +1.74e+07 A289.N,HN; I288.HA >> 529 55 7.6254 3.4719 121.3868 +1.70e+07 A289.N,HN; V286.HA >> 528 55 7.6249 1.8729 121.3741 +5.36e+07 A289.N,HN; I288.HB >> 527 55 7.6236 1.4322 121.3734 +1.09e+08 A289.N,HN; A289.HB# >> 525 55 7.6237 0.9507 121.3684 +5.14e+07 A289.N,HN; I288.HG2# >> 531 55 7.6247 4.0627 121.3619 +4.76e+07 A289.N,HN; A289.HA >> 791 55 7.7229 0.9067 121.3258 +8.60e+06 A294.N,HN; I297.HG2# >> 418 56 7.6048 1.5532 121.2717 +3.10e+07 A261.N,HN; L260.HB1|HB2 >> 421 56 7.5966 4.5661 121.2708 +1.72e+07 A261.N,HN; A261.HA >> 420 56 7.6043 4.3124 121.2428 +1.39e+07 A261.N,HN; L260.HA >> 416 56 7.5955 0.4614 121.2175 +3.20e+07 A261.N,HN; I259.HG2# >> 685 56 8.3654 2.3900 121.2135 +2.82e+07 V273.N,HN; P272.HB1|HB2 >> 738 56 8.3645 4.6000 121.2068 +5.17e+07 V273.N,HN; P272.HA >> 792 56 7.7215 4.2712 121.2056 +1.07e+07 A294.N,HN; R291.HA >> 684 56 8.3636 1.9864 121.2055 +7.95e+07 V273.N,HN; V273.HB >> 417 56 7.5980 1.2616 121.2033 +5.32e+07 A261.N,HN; A261.HB# >> 558 56 7.7194 1.5829 121.1969 +1.21e+08 A294.N,HN; A294.HB# >> 682 56 8.3630 1.1381 121.1954 +9.96e+07 L228.N,HN; T227.HG2# >> 559 56 7.7175 1.8110 121.1918 +1.95e+07 A294.N,HN; L293.HB1|HB2 >> 790 56 7.7138 0.7572 121.1916 +2.02e+07 A294.N,HN; L293.HD1#|HD2# >> 683 56 8.3636 0.8957 121.1897 +4.77e+07 V273.N,HN; V273.HG2# >> 562 56 7.7184 4.0648 121.1879 +4.17e+07 A294.N,HN; A294.HA >> 737 56 8.3641 4.1342 121.1826 +2.25e+07 V273.N,HN; P271.HA >> 739 56 8.3647 3.7375 121.1815 +1.06e+07 L228.N,HN; A229.HA >> 419 56 7.6029 3.9204 121.1798 +1.32e+07 A261.N,HN; I259.HA >> 560 56 7.7157 2.1554 121.1576 +1.47e+07 A294.N,HN; E295.HB1|HB2 >> 172 56 8.3551 4.3492 121.1466 +2.24e+07 L228.N,HN; T227.HB >> 666 56 9.2483 1.2938 121.1407 +1.69e+07 K211.N,HN; A266.HB# >> 167 56 8.3563 1.5019 121.1374 +3.43e+07 L228.N,HN; L228.HB2|HB1 >> 169 56 8.3545 1.8100 121.1358 +4.59e+07 L228.N,HN; L228.HB1|HB2 >> 46 56 9.2493 0.4399 121.1347 +1.44e+07 K211.N,HN; L210.HD1# >> 665 56 9.2481 0.8306 121.1337 +1.78e+07 K211.N,HN; V268.HG1#|HG2# >> 171 56 8.3554 3.9401 121.1309 +3.17e+07 L228.N,HN; L228.HA >> 168 56 8.3589 1.6292 121.1264 +2.20e+07 L228.N,HN; L228.HG >> 34 56 8.7971 2.0020 121.1247 +1.94e+07 V209.N,HN; V209.HB >> 32 56 8.8013 1.0276 121.1172 +3.02e+07 V209.N,HN; V209.HG2#|HG1# >> 31 56 8.8039 0.8939 121.1159 +1.98e+07 V209.N,HN; V209.HG1#|HG2# >> 49 56 9.2487 5.0546 121.1037 +2.45e+07 K211.N,HN; L210.HA >> 33 56 8.8007 1.5605 121.0946 +5.44e+07 V209.N,HN; A208.HB# >> 36 56 8.7995 4.8555 121.0937 +5.23e+07 V209.N,HN; A208.HA >> 616 57 7.8630 1.3585 120.9735 +6.88e+06 Y300.N,HN; K301.HG1|HG2 >> 622 57 7.8716 3.9519 120.9498 +2.08e+07 Y300.N,HN; G298.HA1|HA2 >> 614 57 7.8694 0.8968 120.9230 +9.81e+06 Y300.N,HN; I297.HG2# >> 618 57 7.8654 2.5561 120.9069 +2.80e+07 Y300.N,HN; D299.HB2|HB1 >> 621 57 7.8677 4.6815 120.9052 +1.19e+08 Y300.N,HN; D299.HA >> 619 57 7.8670 3.0128 120.9038 +2.07e+08 Y300.N,HN; Y300.HB1|HB2 >> 617 57 7.8670 2.6917 120.9009 +2.84e+07 Y300.N,HN; D299.HB1|HB2 >> 620 57 7.8675 4.4910 120.8982 +8.19e+07 Y300.N,HN; Y300.HA >> 487 58 7.5193 4.7782 120.8326 +8.64e+06 N282.N,HN; N282.HA >> 488 58 7.5248 4.0566 120.8033 +6.56e+06 N282.N,HN; L280.HA >> 485 58 7.5186 3.0668 120.7561 +1.09e+07 N282.N,HN; N282.HB1|HB2 >> 486 58 7.5252 2.6783 120.7384 +9.83e+06 N282.N,HN; N282.HB2|HB1 >> 549 59 8.0299 3.2499 120.6008 +6.58e+06 L292.N,HN; R291.HD2|HD1 >> 512 59 7.9545 3.6246 120.5864 +1.31e+07 V286.N,HN; R283.HA >> 511 59 7.9604 3.4687 120.5601 +2.24e+07 V286.N,HN; V286.HA >> 771 59 8.0201 1.6119 120.5578 +3.80e+07 L292.N,HN; L292.HB2|HB1 >> 507 59 7.9577 0.7835 120.5532 +2.82e+07 V286.N,HN; I231.HD1# >> 510 59 7.9536 2.9924 120.5481 +1.69e+07 V286.N,HN; K285.HE1|HE2 >> 763 59 7.9619 1.9939 120.5431 +5.15e+07 V286.N,HN; V286.HB >> 548 59 8.0205 1.4266 120.5396 +1.32e+07 L292.N,HN; A289.HB# >> 772 59 8.0234 1.8565 120.5391 +8.03e+07 L292.N,HN; L292.HG >> 508 59 7.9564 1.4185 120.5319 +9.72e+06 V286.N,HN; K285.HG1|HG2 >> 547 59 8.0217 0.9053 120.5263 +5.60e+07 L292.N,HN; L292.HD2# >> 509 59 7.9563 2.3127 120.5243 +1.29e+07 V286.N,HN; E284.HG1|HG2 >> 550 59 8.0193 4.1634 120.5233 +4.76e+07 L292.N,HN; L292.HA >> 725 60 8.0132 2.0747 120.4181 +1.49e+08 E256.N,HN; E256.HB1|HB2 >> 726 60 8.0127 2.3134 120.4091 +5.38e+07 E256.N,HN; E256.HG2|HG1 >> 551 60 8.0115 4.0084 120.4002 +6.51e+07 E256.N,HN; E256.HA >> 380 60 8.0124 3.8296 120.3348 +9.49e+06 E256.N,HN; A254.HA >> 450 60 8.5387 4.7046 120.3207 +1.86e+07 V268.N,HN; K267.HA >> 449 60 8.5441 4.5640 120.3176 +9.51e+06 V268.N,HN; V268.HA >> 447 60 8.5434 0.4469 120.3145 +7.20e+06 V268.N,HN; L210.HD1# >> 736 60 8.5383 0.8597 120.3017 +3.06e+07 V268.N,HN; V268.HG1#|HG2# >> 448 60 8.5340 1.5584 120.2790 +1.23e+07 V268.N,HN; K211.HD1|HD2 >> 516 61 8.3097 1.9784 120.2350 +3.31e+07 L287.N,HN; V286.HB >> 514 61 8.3126 0.7954 120.2270 +2.85e+07 L287.N,HN; I231.HD1# >> 519 61 8.3081 4.0005 120.2136 +4.58e+07 L287.N,HN; E284.HA >> 515 61 8.3106 0.9478 120.2069 +5.92e+07 L287.N,HN; L287.HD1# >> 517 61 8.3041 3.4778 120.2063 +1.09e+07 L287.N,HN; V286.HA >> 765 61 8.3104 1.8180 120.2055 +8.27e+07 L287.N,HN; L287.HB2|HB1 >> 611 62 7.8763 3.0307 120.0092 +7.72e+06 D299.N,HN; Y300.HB1|HB2 >> 609 62 7.8666 2.5572 119.9840 +5.74e+07 D299.N,HN; D299.HB2|HB1 >> 612 62 7.8649 4.6802 119.9832 +4.90e+07 D299.N,HN; D299.HA >> 610 62 7.8654 2.6844 119.9794 +4.05e+07 D299.N,HN; D299.HB1|HB2 >> 613 62 7.8644 3.9426 119.9755 +5.92e+07 D299.N,HN; G298.HA1|HA2 >> 198 62 7.9801 3.0467 119.9652 +1.31e+07 I231.N,HN; N230.HB1|HB2 >> 197 62 7.9908 1.9292 119.9627 +5.96e+07 I231.N,HN; I231.HB >> 202 62 7.9902 4.1647 119.9574 +8.54e+06 I231.N,HN; I232.HA >> 200 62 7.9882 3.9243 119.9515 +3.56e+07 I231.N,HN; I231.HA >> 357 62 7.3990 3.7156 119.9001 +5.77e+06 L253.N,HN; P251.HD1|HD2 >> 353 62 7.3991 2.4242 119.8774 +1.63e+07 L253.N,HN; Q252.HG2|HG1 >> 355 62 7.3954 4.2044 119.8767 +3.50e+07 L253.N,HN; L253.HA >> 199 62 7.9856 2.8908 119.8725 +1.61e+07 I231.N,HN; N230.HB2|HB1 >> 717 63 7.3964 0.8950 119.8423 +4.33e+07 L253.N,HN; L253.HD1# >> 718 63 7.3956 1.7232 119.8315 +4.67e+07 L253.N,HN; L253.HG >> 352 63 7.3958 2.1176 119.8315 +2.61e+07 L253.N,HN; Q252.HB1|HB2 >> 351 63 7.3979 1.4087 119.8059 +1.79e+07 L253.N,HN; A254.HB# >> 366 63 7.2130 4.2042 119.7867 +2.33e+07 A254.N,HN; L253.HA >> 365 63 7.2124 3.8406 119.7760 +3.05e+07 A254.N,HN; A254.HA >> 360 63 7.2109 0.8887 119.7694 +2.16e+07 A254.N,HN; L253.HD1# >> 361 63 7.2129 1.4106 119.7642 +9.42e+07 A254.N,HN; A254.HB# >> 363 63 7.2172 1.6694 119.7630 +1.82e+07 A254.N,HN; L253.HB2|HB1 >> 364 63 7.2142 2.0748 119.7387 +1.81e+07 A254.N,HN; E255.HB1|HB2 >> 367 63 7.2141 4.4280 119.7286 +1.46e+07 A254.N,HN; P251.HA >> 359 63 7.4042 4.4443 119.7062 +1.01e+07 L253.N,HN; P251.HA >> 453 64 7.3410 0.8632 119.5745 +5.32e+07 L269.N,HN; V268.HG1#|HG2# >> 456 64 7.3432 2.1647 119.5727 +1.78e+07 L269.N,HN; V268.HB >> 458 64 7.3455 4.7271 119.5616 +1.46e+07 L269.N,HN; K267.HA >> 455 64 7.3446 2.0063 119.5516 +1.49e+07 L269.N,HN; V209.HB >> 213 64 8.6023 3.6994 119.5489 +7.97e+06 L232.N,HN; A229.HA >> 457 64 7.3436 4.4624 119.5436 +2.23e+07 L269.N,HN; L269.HA >> 399 64 7.8553 -0.0759 119.5176 +8.23e+06 I259.N,HN; I259.HG12|HG11 >> 402 64 7.8672 0.9331 119.5087 +1.75e+07 I259.N,HN; V247.HG1# >> 203 64 8.6056 0.7109 119.4736 +2.92e+07 L232.N,HN; L232.HD2# >> 210 64 8.6044 4.1874 119.4696 +1.23e+07 L232.N,HN; L232.HA >> 404 64 7.8577 1.4034 119.4692 +1.64e+07 I259.N,HN; A254.HB# >> 407 64 7.8590 3.7821 119.4626 +3.34e+07 I259.N,HN; K258.HA >> 208 64 8.6040 1.9522 119.4549 +2.62e+07 L232.N,HN; I231.HB >> 405 64 7.8598 1.6259 119.4527 +3.26e+07 I259.N,HN; I259.HB >> 784 64 8.6046 1.7148 119.4498 +1.30e+07 L232.N,HN; L232.HB2|HB1 >> 401 65 7.8562 0.4554 119.4443 +1.46e+07 I259.N,HN; I259.HG2# >> 400 65 7.8588 0.0754 119.4417 +1.73e+07 I259.N,HN; I259.HD1# >> 211 65 8.6169 3.9191 119.4163 +9.64e+06 L232.N,HN; I231.HA >> 636 65 7.7907 0.9023 119.3480 +7.15e+06 E296.N,HN; I297.HG2# >> 777 65 7.7881 2.3457 119.3437 +2.80e+07 E296.N,HN; E296.HG2 >> 580 65 7.7874 2.1647 119.3402 +9.18e+07 E296.N,HN; E296.HB1|HB2 >> 583 65 7.7894 4.2483 119.3325 +3.86e+07 E296.N,HN; E296.HA >> 578 65 7.7926 1.5804 119.3158 +1.45e+07 E296.N,HN; A294.HB# >> 584 65 7.7868 4.1439 119.2805 +3.38e+07 E296.N,HN; E295.HA >> 574 65 7.7901 0.7661 119.2778 +9.47e+06 E296.N,HN; L293.HD1#|HD2# >> 179 66 8.4239 2.8902 119.2272 +5.93e+06 A229.N,HN; N230.HB2|HB1 >> 173 66 8.4192 1.2506 119.2140 +7.71e+07 A229.N,HN; A229.HB# >> 175 66 8.4191 1.4919 119.2057 +2.08e+07 A229.N,HN; L228.HB2|HB1 >> 180 66 8.4194 3.7305 119.1994 +3.22e+07 A229.N,HN; A229.HA >> 174 66 8.4176 0.8301 119.1825 +2.63e+07 A229.N,HN; L228.HD2# >> 176 66 8.4194 1.8038 119.1799 +1.95e+07 A229.N,HN; L228.HB1|HB2 >> 181 66 8.4149 3.9421 119.1653 +1.39e+07 A229.N,HN; L228.HA >> 314 66 8.6388 1.1887 119.1636 +9.96e+06 L248.N,HN; A215.HB# >> 178 66 8.4141 3.0528 119.1331 +8.01e+06 A229.N,HN; N230.HB1|HB2 >> 316 66 8.6374 1.8603 119.1160 +1.82e+07 L248.N,HN; L248.HB1|HB2 >> 708 66 8.6390 1.5372 119.1074 +3.60e+07 L248.N,HN; L248.HB2|HB1 >> 315 66 8.6395 0.8397 119.1066 +4.54e+07 L248.N,HN; L248.HD2# >> 318 66 8.6425 4.8731 119.0862 +1.03e+07 L248.N,HN; A215.HA >> 317 66 8.6415 4.2453 119.0768 +2.53e+07 L248.N,HN; L248.HA >> 118 67 8.1541 4.4661 118.9957 +1.32e+07 R223.N,HN; N220.HA >> 344 67 8.6837 2.4150 118.9900 +1.81e+07 Q252.N,HN; Q252.HG2|HG1 >> 346 67 8.6800 3.7322 118.9883 +1.14e+07 Q252.N,HN; P251.HD1|HD2 >> 97 67 7.7940 2.7573 118.9845 +8.43e+06 S221.N,HN; N220.HB2|HB1 >> 113 67 8.1557 1.6392 118.9843 +1.70e+07 R223.N,HN; R223.HG1|HG2 >> 117 67 8.1549 4.0238 118.9757 +3.90e+07 R223.N,HN; R223.HA >> 343 67 8.6813 2.5170 118.9706 +1.57e+07 Q252.N,HN; Q252.HG1|HG2 >> 115 67 8.1591 3.2573 118.9704 +1.16e+07 R223.N,HN; R223.HD1|HD2 >> 345 67 8.6802 2.1180 118.9697 +6.63e+07 Q252.N,HN; Q252.HB1|HB2 >> 114 67 8.1559 1.9197 118.9676 +7.76e+07 R223.N,HN; R223.HB1|HB2 >> 111 67 8.1541 0.9027 118.9646 +5.22e+07 R223.N,HN; V222.HG2#|HG1# >> 349 67 8.6836 4.4146 118.9643 +9.61e+06 Q252.N,HN; P251.HA >> 348 67 8.6784 4.2139 118.9635 +3.35e+07 Q252.N,HN; Q252.HA >> 788 67 7.8514 0.2062 118.9628 +9.22e+06 L293.N,HN; L290.HD1# >> 347 67 8.6736 3.2885 118.9606 +9.31e+06 Q252.N,HN; P251.HD2|HD1 >> 96 67 7.8084 2.8906 118.9512 +8.99e+06 S221.N,HN; N220.HB1|HB2 >> 116 67 8.1577 3.5511 118.9392 +1.18e+07 R223.N,HN; V222.HA >> 112 67 8.1520 1.4283 118.9373 +1.19e+07 R223.N,HN; A224.HB# >> 786 67 7.8539 2.1674 118.9063 +9.99e+06 L293.N,HN; E295.HB1|HB2 >> 789 67 7.8405 0.8945 118.8892 +2.25e+07 L293.N,HN; L292.HD1# >> 782 67 7.8452 4.1088 118.8712 +3.96e+07 L293.N,HN; L293.HA >> 585 68 7.8074 0.9007 118.8399 +1.89e+07 S221.N,HN; V222.HG2#|HG1# >> 274 68 7.8762 0.0823 118.6662 +2.29e+07 V239.N,HN; V239.HG1# >> 597 69 7.8877 3.9868 118.5113 +6.66e+07 I297.N,HN; I297.HA >> 593 69 7.8924 1.1350 118.4985 +3.02e+07 V239.N,HN; T207.HG2# >> 598 69 7.8907 4.2495 118.4916 +3.90e+07 I297.N,HN; E296.HA >> 596 69 7.8897 3.0198 118.4869 +5.41e+06 I297.N,HN; Y300.HB1|HB2 >> 595 69 7.8912 1.9141 118.4849 +7.50e+07 I297.N,HN; I297.HB >> 594 69 7.8927 1.6153 118.4795 +4.74e+07 I297.N,HN; A294.HB# >> 590 69 7.8927 2.1698 118.4786 +4.92e+07 I297.N,HN; E296.HB1|HB2 >> 586 69 7.8930 0.8925 118.4631 +4.14e+07 I297.N,HN; I297.HG2# >> 591 69 7.8938 2.3439 118.4531 +1.48e+07 I297.N,HN; E296.HG2 >> 567 72 7.7438 0.8993 117.9261 +1.93e+07 E295.N,HN; I297.HG2# >> 568 72 7.7429 1.5843 117.9191 +6.70e+07 E295.N,HN; A294.HB# >> 571 72 7.7429 2.5080 117.9141 +4.89e+07 E295.N,HN; E295.HG1|HG2 >> 569 72 7.7431 2.1598 117.9044 +1.15e+08 E295.N,HN; E295.HB1|HB2 >> 573 72 7.7441 4.1489 117.9028 +7.44e+07 E295.N,HN; E295.HA >> 240 73 8.7752 1.7116 117.7929 +1.15e+07 E235.N,HN; K234.HD1|HD2 >> 242 73 8.7722 3.9232 117.7674 +7.56e+06 E235.N,HN; I231.HA >> 236 73 8.7783 1.5428 117.7546 +1.91e+07 E235.N,HN; E235.HB2|HB1 >> 133 73 7.8113 4.0457 117.7519 +1.49e+07 L225.N,HN; A224.HA >> 238 73 8.7747 1.9077 117.7356 +4.92e+07 E235.N,HN; E235.HB1|HB2 >> 241 73 8.7743 4.2729 117.7290 +2.23e+07 E235.N,HN; E235.HA >> 239 73 8.7770 2.1947 117.7289 +2.04e+07 E235.N,HN; E235.HG1|HG2 >> 130 73 7.8107 3.7598 117.7243 +2.52e+07 L225.N,HN; L225.HA >> 675 73 7.8127 1.4336 117.7239 +7.62e+07 L225.N,HN; L225.HB1|HB2 >> 129 73 7.8095 1.8621 117.7196 +1.74e+07 L225.N,HN; K226.HB1|HB2 >> 131 73 7.8125 3.5543 117.7173 +1.32e+07 L225.N,HN; V222.HA >> 674 73 7.8134 0.8477 117.7163 +4.24e+07 L225.N,HN; L225.HD1# >> 243 73 8.7722 4.3843 117.7048 +1.34e+07 E235.N,HN; K234.HA >> 132 73 7.8139 3.0198 117.6645 +6.97e+06 L225.N,HN; K226.HE2|HE1 >> 398 74 7.6204 4.7338 117.5983 +2.22e+07 K258.N,HN; D257.HA >> 396 74 7.6199 3.7731 117.5794 +8.20e+07 K258.N,HN; K258.HA >> 523 74 7.6946 3.7117 117.5747 +3.08e+07 I288.N,HN; I288.HA >> 390 74 7.6191 1.3123 117.5719 +4.56e+07 K258.N,HN; K258.HG1|HG2 >> 522 74 7.6892 3.4520 117.5683 +9.08e+06 I288.N,HN; V286.HA >> 521 74 7.6919 1.2399 117.5645 +2.30e+07 I288.N,HN; I288.HG12|HG11 >> 766 74 7.6961 0.9356 117.5523 +7.33e+07 I288.N,HN; I288.HD1# >> 722 74 7.6973 1.8431 117.5522 +1.03e+08 I288.N,HN; I288.HG11|HG12 >> 727 74 7.6198 1.7038 117.5222 +3.32e+07 K258.N,HN; K258.HB2|HB1 >> 524 74 7.6996 4.0391 117.5091 +7.52e+07 I288.N,HN; K285.HA >> 370 74 7.7018 1.4129 117.5037 +6.56e+07 E255.N,HN; A254.HB# >> 374 74 7.7033 3.8330 117.5030 +1.97e+07 E255.N,HN; A254.HA >> 394 74 7.6154 2.6788 117.5002 +6.78e+06 K258.N,HN; D257.HB1|HB2 >> 373 74 7.7009 2.2926 117.4993 +5.30e+07 E255.N,HN; E255.HG1|HG2 >> 372 74 7.7024 2.0747 117.4848 +1.24e+08 E255.N,HN; E255.HB1|HB2 >> 376 74 7.6997 4.1985 117.4818 +3.37e+07 E255.N,HN; L253.HA >> 501 75 7.6272 2.3205 117.2959 +2.44e+07 K285.N,HN; E284.HG1|HG2 >> 503 75 7.6272 2.9974 117.2958 +8.01e+06 K285.N,HN; K285.HE1|HE2 >> 505 75 7.6281 4.0227 117.2584 +4.06e+07 K285.N,HN; K285.HA >> 500 75 7.6294 2.0833 117.2347 +3.78e+07 K285.N,HN; E284.HB1|HB2 >> 760 75 7.6284 1.5930 117.2166 +2.75e+07 K285.N,HN; K285.HG2|HG1 >> 499 76 7.6286 1.4155 117.2017 +2.79e+07 K285.N,HN; K285.HG1|HG2 >> 762 76 7.6283 1.8994 117.1729 +4.88e+07 K285.N,HN; K285.HB1|HB2 >> 504 76 7.6430 3.6265 117.1559 +6.93e+06 K285.N,HN; R283.HA >> 16 76 7.7886 4.3298 117.0160 +8.47e+07 T207.N,HN; K206.HA >> 11 77 7.7896 1.1236 117.0051 +2.32e+07 T207.N,HN; T207.HG2# >> 12 77 7.7856 1.7618 116.9887 +1.94e+07 T207.N,HN; K206.HB1|HB2 >> 15 77 7.7885 3.9581 116.9867 +2.64e+07 T207.N,HN; T207.HB >> 13 77 7.7859 1.6792 116.9737 +1.81e+07 T207.N,HN; K206.HB2|HB1 >> 14 77 7.7868 1.4368 116.9467 +7.51e+06 T207.N,HN; K206.HG1|HG2 >> 494 77 8.1404 2.6483 116.9338 +8.04e+06 E284.N,HN; N282.HB2|HB1 >> 496 77 8.1513 3.6200 116.9142 +1.28e+07 E284.N,HN; R283.HA >> 491 77 8.1511 1.8176 116.8815 +2.91e+07 E284.N,HN; R283.HB2|HB1 >> 497 77 8.1516 3.9869 116.8806 +4.99e+07 E284.N,HN; E284.HA >> 493 77 8.1503 2.3221 116.8763 +7.41e+07 E284.N,HN; E284.HG1|HG2 >> 757 77 8.1512 2.1207 116.8721 +8.23e+07 E284.N,HN; E284.HB2|HB1 >> 490 77 8.1502 1.5670 116.8581 +1.91e+07 E284.N,HN; R283.HG1|HG2 >> 328 78 6.9492 4.3151 116.6468 +3.00e+07 K249.N,HN; K249.HA >> 713 78 6.9450 3.8434 116.6350 +9.73e+06 K249.N,HN; G216.HA1|HA2 >> 320 79 6.9443 0.8329 116.5978 +1.67e+07 K249.N,HN; L248.HD1# >> 710 79 6.9444 1.4924 116.5870 +2.07e+07 K249.N,HN; L248.HB2|HB1 >> 325 79 6.9392 1.9354 116.5747 +2.33e+07 K249.N,HN; K249.HB1|HB2 >> 827 79 6.9349 3.0165 116.5332 +9.44e+06 K249.N,HN; D246.HB1|HB2 >> 732 79 8.1990 4.7886 116.5316 +1.05e+07 T264.N,HN; T264.HA >> 139 79 8.3799 3.5477 116.5205 +9.72e+06 K226.N,HN; V222.HA >> 138 79 8.3763 3.7959 116.4996 +2.94e+07 K226.N,HN; K226.HA >> 677 79 8.3759 1.6716 116.4832 +4.87e+07 K226.N,HN; K226.HG2|HG1 >> 136 79 8.3776 1.8492 116.4805 +4.01e+07 K226.N,HN; K226.HB1|HB2 >> 134 79 8.3755 0.8679 116.4713 +2.20e+07 K226.N,HN; L225.HD2# >> 149 79 8.1964 5.3198 116.4646 +1.80e+07 T264.N,HN; P263.HA >> 140 79 8.3731 4.0261 116.4616 +1.92e+07 K226.N,HN; R223.HA >> 135 79 8.3763 1.4391 116.4369 +2.53e+07 K226.N,HN; A224.HB# >> 161 80 8.1943 0.8153 116.3789 +2.66e+07 T227.N,HN; L228.HD2# >> 162 80 8.1843 4.4969 116.3502 +1.30e+07 T264.N,HN; T262.HA >> 540 80 8.4484 3.4921 116.3138 +6.68e+06 L290.N,HN; V286.HA >> 145 80 8.1923 1.8673 116.3114 +2.66e+07 T227.N,HN; K226.HB1|HB2 >> 768 80 8.4303 1.6570 116.3090 +2.66e+07 L290.N,HN; L290.HB1|HB2 >> 389 80 7.4737 4.7403 116.3068 +2.64e+07 D257.N,HN; D257.HA >> 678 80 8.1957 1.1382 116.3043 +2.99e+07 T227.N,HN; T227.HG2# >> 152 80 8.1948 3.9515 116.3039 +3.13e+07 T227.N,HN; T227.HA >> 387 80 7.4698 3.7898 116.2993 +1.34e+07 D257.N,HN; K258.HA >> 144 80 8.1939 1.6705 116.2959 +1.62e+07 T227.N,HN; K226.HG2|HG1 >> 386 80 7.4696 2.6553 116.2934 +1.31e+07 D257.N,HN; D257.HB1|HB2 >> 384 80 7.4715 2.0698 116.2848 +3.61e+07 D257.N,HN; E256.HB1|HB2 >> 532 80 8.4318 0.2190 116.2828 +1.68e+07 L290.N,HN; L290.HD1# >> 679 80 8.1989 1.4301 116.2825 +1.18e+07 T227.N,HN; A224.HB# >> 769 80 8.4393 4.0363 116.2813 +1.73e+07 L290.N,HN; L287.HA >> 538 80 8.4458 3.8631 116.2799 +1.25e+07 L290.N,HN; L290.HA >> 536 80 8.4341 1.4354 116.2724 +3.95e+07 L290.N,HN; A289.HB# >> 385 80 7.4697 2.3676 116.2720 +2.55e+07 D257.N,HN; D257.HB2|HB1 >> 388 80 7.4703 4.0021 116.2698 +1.71e+07 D257.N,HN; E256.HA >> 534 80 8.4325 0.7602 116.2689 +1.99e+07 L290.N,HN; L293.HD1#|HD2# >> 535 80 8.4318 0.9218 116.2617 +1.73e+07 L290.N,HN; I231.HG2# >> 148 80 8.1932 4.3470 116.2502 +2.24e+07 T227.N,HN; T227.HB >> 151 80 8.1914 3.8031 116.2447 +1.42e+07 T227.N,HN; K226.HA >> 533 80 8.4329 0.3914 116.2326 +1.42e+07 L290.N,HN; L290.HD2# >> 252 80 7.3901 4.7907 116.2247 +1.91e+07 F236.N,HN; F236.HA >> 249 81 7.3839 3.6171 116.1647 +8.81e+06 F236.N,HN; F236.HB1|HB2 >> 383 81 7.4728 1.6401 116.1638 +9.27e+06 D257.N,HN; I259.HB >> 246 81 7.3842 1.8924 116.1560 +2.09e+07 F236.N,HN; E235.HB1|HB2 >> 245 81 7.3847 1.5415 116.1510 +1.08e+07 F236.N,HN; E235.HB2|HB1 >> 248 81 7.3850 3.0551 116.1452 +1.22e+07 F236.N,HN; F236.HB2|HB1 >> 695 81 7.3833 0.9834 116.1376 +7.83e+06 F236.N,HN; L287.HD1# >> 244 81 7.3835 0.7209 116.1312 +1.09e+07 F236.N,HN; L232.HD2# >> 247 81 7.3817 2.1682 116.1297 +1.01e+07 F236.N,HN; E235.HG1|HG2 >> 250 81 7.3844 3.9149 116.1241 +9.34e+06 F236.N,HN; I231.HA >> 251 81 7.3851 4.2657 116.1210 +1.92e+07 F236.N,HN; E235.HA >> 232 82 7.6438 3.9226 115.9082 +1.26e+07 K234.N,HN; I231.HA >> 233 82 7.6495 4.2064 115.8794 +1.75e+07 K234.N,HN; E233.HA >> 227 82 7.6447 1.6746 115.8760 +2.10e+07 K234.N,HN; K234.HD1|HD2 >> 228 82 7.6481 1.9116 115.8751 +8.20e+07 K234.N,HN; K234.HB1|HB2 >> 234 82 7.6479 4.3981 115.8734 +3.87e+07 K234.N,HN; K234.HA >> 693 82 7.6486 1.4858 115.8717 +3.39e+07 K234.N,HN; K234.HG1|HG2 >> 230 82 7.6471 2.1010 115.8654 +2.49e+07 K234.N,HN; E233.HB2|HB1 >> 277 87 8.8179 0.0629 114.9560 +1.24e+07 Y240.N,HN; V239.HG1# >> 837 87 8.8360 3.9556 114.9331 +5.13e+06 Y240.N,HN; T207.HB >> 279 87 8.8111 1.8229 114.9284 +1.49e+07 Y240.N,HN; V239.HB >> 278 87 8.8180 0.7458 114.9121 +1.95e+07 Y240.N,HN; V239.HG2# >> 335 87 7.5757 1.7618 114.8794 +1.79e+07 N250.N,HN; L253.HG >> 829 87 7.5637 0.7497 114.8639 +1.02e+07 N250.N,HN; I245.HG2# >> 830 87 7.5590 0.8901 114.8636 +7.15e+06 N250.N,HN; L253.HD1# >> 838 87 8.8250 1.5593 114.8594 +5.39e+06 Y240.N,HN; A208.HB# >> 342 87 7.5731 5.2941 114.8590 +2.39e+07 N250.N,HN; N250.HA >> 334 87 7.5734 1.9537 114.8542 +1.77e+07 N250.N,HN; K249.HB1|HB2 >> 336 87 7.5755 2.4758 114.8528 +2.58e+07 N250.N,HN; N250.HB2 >> 337 87 7.5733 2.7302 114.8490 +1.68e+07 N250.N,HN; N250.HB1 >> 340 87 7.5719 3.8512 114.8326 +2.16e+07 N250.N,HN; V247.HA >> 338 87 7.5816 3.0187 114.8297 +8.24e+06 N250.N,HN; D246.HB1|HB2 >> 339 87 7.5752 3.2917 114.8286 +1.28e+07 N250.N,HN; P251.HD2|HD1 >> 341 87 7.5823 4.3371 114.8221 +1.51e+07 N250.N,HN; K249.HA >> 802 90 8.9844 4.2181 114.2874 +5.71e+06 G216.N,HN; L248.HA >> 801 90 8.9612 1.8806 114.2711 +8.10e+06 G216.N,HN; L248.HB1|HB2 >> 84 90 8.9756 4.8585 114.2673 +4.46e+07 G216.N,HN; A215.HA >> 78 90 8.9780 0.8410 114.2650 +3.90e+07 G216.N,HN; L248.HD2# >> 82 90 8.9751 3.8730 114.2640 +1.47e+07 G216.N,HN; G216.HA1|HA2 >> 76 90 8.9774 0.6448 114.2618 +1.06e+07 G216.N,HN; V214.HG2#|HG1# >> 79 90 8.9760 1.1900 114.2585 +2.67e+07 G216.N,HN; A215.HB# >> 80 90 8.9786 1.5426 114.2487 +1.70e+07 G216.N,HN; L248.HB2|HB1 >> 81 90 8.9783 3.9908 114.2386 +1.59e+07 G216.N,HN; S221.HB2|HB1 >> 690 91 7.4545 1.7165 114.1264 +1.30e+07 E233.N,HN; L232.HB2|HB1 >> 65 91 8.8940 2.2115 114.1160 +6.74e+06 V214.N,HN; V214.HB >> 64 91 8.8882 1.0437 114.0763 +1.24e+07 V214.N,HN; V247.HG2# >> 69 91 8.8898 5.2206 114.0719 +8.93e+06 V214.N,HN; D246.HA >> 219 91 7.4527 2.0950 114.0706 +2.79e+07 E233.N,HN; E233.HB2|HB1 >> 62 91 8.8853 0.6475 114.0669 +3.80e+07 V214.N,HN; V214.HG2#|HG1# >> 63 91 8.8921 0.8342 114.0650 +2.40e+07 V214.N,HN; V214.HG1#|HG2# >> 68 91 8.8834 5.3673 114.0585 +3.52e+07 V214.N,HN; Y213.HA >> 221 91 7.4519 2.4216 114.0459 +1.97e+07 E233.N,HN; E233.HG1|HG2 >> 222 91 7.4532 4.1980 114.0437 +3.53e+07 E233.N,HN; E233.HA >> 220 91 7.4538 2.2343 114.0342 +2.70e+07 E233.N,HN; E233.HB1|HB2 >> 214 91 7.4528 0.7146 114.0330 +1.20e+07 E233.N,HN; L232.HD1# >> 215 91 7.4534 1.5218 114.0048 +7.81e+06 E233.N,HN; K237.HG2|HG1 >> 688 91 7.4531 1.9274 114.0047 +1.57e+07 E233.N,HN; I231.HB >> 66 91 8.8900 4.7545 114.0017 +7.15e+06 V214.N,HN; V214.HA >> 689 91 7.4483 1.7630 113.9964 +1.30e+07 E233.N,HN; L232.HB1|HB2 >> 267 93 9.2632 1.9155 113.6907 +1.05e+07 G238.N,HN; K237.HB1|HB2 >> 191 93 7.4510 4.4972 113.6045 +2.60e+07 N230.N,HN; N230.HA >> 270 93 9.2604 3.9673 113.5839 +1.72e+07 G238.N,HN; V239.HA >> 691 93 7.4509 1.2484 113.5777 +4.18e+07 N230.N,HN; A229.HB# >> 268 93 9.2552 1.5270 113.5723 +1.01e+07 G238.N,HN; K237.HG2|HG1 >> 698 93 9.2519 1.7410 113.5656 +8.90e+06 G238.N,HN; K237.HD1|HD2 >> 189 93 7.4501 3.0432 113.5652 +5.60e+07 N230.N,HN; N230.HB1|HB2 >> 269 93 9.2580 4.1979 113.5623 +4.54e+07 G238.N,HN; G238.HA2|HA1 >> 190 94 7.4480 2.8873 113.5588 +4.51e+07 N230.N,HN; N230.HB2|HB1 >> 273 94 7.4466 1.9341 113.5125 +1.10e+07 N230.N,HN; I231.HB >> 193 94 7.4535 3.8338 113.5101 +9.79e+06 N230.N,HN; K226.HA >> 192 94 7.4420 3.9474 113.4919 +1.51e+07 N230.N,HN; T227.HA >> 194 94 7.4434 3.7155 113.4820 +9.69e+06 N230.N,HN; A229.HA >> 266 94 9.2590 0.7496 113.4795 +9.87e+06 G238.N,HN; V239.HG2# >> 89 102 7.5034 4.1527 111.9139 +8.85e+06 T218.N,HN; S221.HA >> 87 102 7.4998 2.7949 111.8826 +9.69e+06 T218.N,HN; N217.HB1|HB2 >> 669 102 7.5024 4.6028 111.8760 +2.33e+07 T218.N,HN; T218.HA >> 86 102 7.5001 0.9052 111.8690 +1.80e+07 T218.N,HN; V222.HG2#|HG1# >> 85 102 7.5038 1.4053 111.8632 +7.48e+07 T218.N,HN; T218.HG2# >> 90 102 7.5036 4.8522 111.8523 +3.93e+07 T218.N,HN; N217.HA >> 88 102 7.5068 3.9107 111.8364 +9.40e+06 T218.N,HN; P219.HD2|HD1 >> 480 112 7.9845 4.3135 109.8676 +1.06e+07 S281.N,HN; S281.HA >> 482 112 7.9767 3.7637 109.8207 +8.92e+06 S281.N,HN; S281.HB2|HB1 >> 481 112 7.9712 3.9615 109.8022 +9.55e+06 S281.N,HN; S281.HB1|HB2 >> 424 117 8.0668 4.5605 108.7953 +3.78e+07 T262.N,HN; A261.HA >> 423 117 8.0669 1.2663 108.7943 +4.44e+07 T262.N,HN; A261.HB# >> 422 117 8.0694 0.8737 108.7551 +1.46e+07 T262.N,HN; T262.HG2# >> 606 117 7.9094 2.9963 108.6979 +5.61e+06 G298.N,HN; Y300.HB1|HB2 >> 602 118 7.9136 1.9249 108.6656 +2.22e+07 G298.N,HN; I297.HB >> 605 118 7.9024 2.1806 108.6441 +8.81e+06 G298.N,HN; E296.HB1|HB2 >> 607 118 7.9146 3.9466 108.6290 +1.20e+08 G298.N,HN; G298.HA1|HA2 >> 601 118 7.9142 1.6250 108.6287 +8.92e+06 G298.N,HN; A294.HB# >> 600 118 7.9125 0.8961 108.6279 +2.02e+07 G298.N,HN; I297.HG2# >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 HN . 'not observed' 9615.385 Hz 2828.00 . . 30093 8 >> 2 N 15 N . folded 1583.899 Hz 7278.86 . . 30093 8 >> 3 H 1 H-aliphatic . 'not observed' 5590.535 Hz 2828.00 . . 30093 8 >> >> stop_ >> >> loop_ >> _Spectral_peak_software.Software_ID >> _Spectral_peak_software.Software_label >> _Spectral_peak_software.Method_ID >> _Spectral_peak_software.Method_label >> _Spectral_peak_software.Entry_ID >> _Spectral_peak_software.Spectral_peak_list_ID >> >> 3 $software_3 . . 30093 8 >> 5 $software_5 . . 30093 8 >> >> stop_ >> >>save_ >> ; save_